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Issue Title
 
Vol 4, No 5 (2013) Accurate energy conservation in molecular dynamics simulation Abstract  PDF (Eng)  similar documents
O. A. Zolotov, V. E. Zalizniak
"... for large scale simulations. One feature of these simulations is that there is an unphysical drift ..."
 
Vol 7, No 1 (2016): Special Issue: Proceedings of the 12th Biennial International Conference “Advanced Carbon Nanostructures” (ACNS’2015) The divacancy V2 and V – C = C – V configurations on the diamond surface: quantum-chemical simulation Abstract  PDF (Eng)  similar documents
O. Yu. Ananina, N. A. Lvova, E. V. Severina
"... for the geometric, electronic, and energy characteristics for these configurations. Energy characteristics of water ..."
 
Vol 5, No 6 (2014) Hydrogen adsorption properties of metal-organic frameworks within the density-functional based tight-binding approach Abstract  PDF (Eng)  similar documents
Bassem Assfour, Thaer Assaad, Adnan Odeh
"... using molecular dynamics (MD) simulation. MD simulations were performed within the density functional ..."
 
Vol 7, No 3 (2016) Asymmetric molecular diode energy calculation using Extended Hückel and Parametric method Abstract  PDF (Eng)  similar documents
A. Mallaiah, G. N. Swamy, K. Padmapriya
"... to right side of device based on orbital energy gaps. Our findings demonstrate that a true molecular diode ..."
 
Vol 10, No 6 (2019) The effect of carbon nanotube on the structure of H–NS protein DNA complex: molecular dynamics approach Abstract  PDF (Eng)  similar documents
Najmeh Mahdavipour, Mohammad Reza Bozorgmehr, Mohammad Momen-Heravi
"... and activity of biomolecules is not completely clear. In this work, molecular dynamics simulation was used ..."
 
Vol 2, No 2 (2011) Simulation of structural transformations in copper nanoparticles under collision Abstract  PDF (Eng)  similar documents
A. Yu. Smolin, N. V. Roman, K. P. Zolnikov, S. G. Psakhie, V. K. Kedrinskii
"... performed by molecular dynamics method. The inter-atomic interaction was described within the embedded atom ..."
 
Vol 12, No 5 (2021) Energy relaxation in molecular systems containing salt ions Abstract  PDF (Eng)  similar documents
M. A. Baranov, E. N. Velichko, E. K. Nepomnyashchaya, I. V. Pleshakov
"... and salt ions. The energy fluctuations in such systems were evaluated using computer simulations ..."
 
Vol 2, No 2 (2011) Molecular dynamics investigation of deformation response of thin-film metallic nanostructures under heating Abstract  PDF (Eng)  similar documents
I. S. Konovalenko, K. P. Zolnikov, S. G. Psakhie
"... Molecular dynamics simulation of nanostructure behavior under impulse heating is carried out ..."
 
Vol 8, No 4 (2017) Calculations of the onset temperature for tunneling in multispin systems Abstract  PDF (Eng)  similar documents
S. M. Vlasov, P. F. Bessarab, V. M. Uzdin, H. J´onsson
"... the energy barrier, but as temperature is lowered quantum mechanical tunneling through the barrier becomes ..."
 
Vol 16, No 5 (2025) Controlled release of homogeneous polypeptides from carbon nanotubes with varying PH: molecular dynamics simulation Abstract  PDF (Eng)  similar documents
N. Yu. Kruchinin
"... Using molecular dynamics simulation at different pH levels, changes in the conformations ..."
 
Vol 7, No 3 (2016) Development of an orbital-free approach for simulation of multi-atomic nanosystems with covalent bonds Abstract  PDF (Eng)  similar documents
V. G. Zavodinsky, O. A. Gorkusha
"... , interbonding angles and binding energies are found to be in good agreement with known data. ..."
 
Vol 2, No 4 (2011) Simulation of flows in nanochannels by the molecular dynamics method Abstract  similar documents
V. Ya. Rudyak, A. A. Belkin, V. V. Egorov, D. A. Ivanov
"... On the basis of molecular dynamics method the algorithm for the first time enables to simulate ..."
 
Vol 9, No 3 (2018) Molecular dynamics simulation of fluid viscosity in nanochannels Abstract  PDF (Eng)  similar documents
V. Rudyak, A. Belkin
"... The viscosity of fluids in a plane nanochannel has been studied by molecular dynamics method ..."
 
Vol 14, No 2 (2023) Modeling the rarefied gas thermal conductivity in nanochannels Abstract  PDF (Eng)  similar documents
V. Ya. Rudyak, E. V. Lezhnev
"... was calculated by the method of the stochastic molecular modelling. It was established that the thermal ..."
 
Vol 7, No 1 (2016): Special Issue: Proceedings of the 12th Biennial International Conference “Advanced Carbon Nanostructures” (ACNS’2015) Diffraction-based characterization of amorphous sp2 carbon: sensitivity to domain-like packing of nanostructures Abstract  PDF (Eng)  similar documents
V. S. Neverov, P. A. Borisova, A. B. Kukushkin, V. V. Voloshinov
"... by vacuum annealing. To diagnose heterogeneous media, the method uses the rigid body molecular dynamics ..."
 
Vol 6, No 5 (2015) Prediction of glass forming ability in CuxZr1−x alloys using molecular dynamics Abstract  PDF (Eng)  similar documents
M. M. Khandpekar, A. Shrivastava, D. S. Gowtam, M. Mohape, V. P. Deshmukh
"... melting route. Molecular dynamics (MD) simulations have been carried out using the embedded atom method ..."
 
Vol 14, No 6 (2023) Molecular dynamics simulation of the rearrangement of polyampholyte conformations on the surface of a charged oblate metal nanospheroid in a microwave electric field Abstract  PDF (Eng)  similar documents
N. Yu. Kruchinin
"... Using molecular dynamics, the rearrangement of the conformational structure of polyampholytes ..."
 
Vol 12, No 5 (2021) Modeling the evolution of surface nanobubbles Abstract  PDF (Eng)  similar documents
I. A. Nesterenko, I. Y. Popov
"... a mathematical and computer model of the nanobubble and performed a series of simulations to see how ..."
 
Vol 11, No 3 (2020) Stochastic molecular modeling the transport coefficients of rarefied gas and gas nanosuspensions Abstract  PDF (Eng)  similar documents
V. Ya. Rudyak, E. V. Lezhnev
"... The subject of this paper is the stochastic molecular modelling of the transport coefficients ..."
 
Vol 8, No 6 (2017) Kinetic coefficients of semiconductor superlattices in high-frequency electromagnetic fields Abstract  PDF (Eng)  similar documents
A. V. Shorokhov, N. S. Prudskikh, M. B. Semenov, V. D. Krevchik, M. A. Pyataev, S. E. Golovatyuk, Tian-Rong Li, Yu-Hua Wang
"... is applicable only for weak fields and it is not valid in the general case. As a consequence, a drift-diffusion ..."
 
Vol 16, No 4 (2025) Inherent noise present in molecular dynamics simulations and what can be learnt from it for 2D Lennard–Jones system Abstract  PDF (Eng)  similar documents
M. V. Kondrin, Yu. B. Lebed
"... We have investigated the influence of finite number of particles used in molecular dynamics ..."
 
Vol 15, No 5 (2024) Skyrmionium – semicircular magnetic defect interaction on a racetrack Abstract  PDF (Eng)  similar documents
S. Navarro-Vilca, S. Urcia-Romero, H. Vigo-Cotrina
"... types of nanostructures. In this research, we use micromagnetic simulations to study the dynamics ..."
 
Vol 2, No 2 (2011) Molecular-dynamic investigation of contact interaction of pure metals Abstract  PDF (Eng)  similar documents
A. Yu. Nikonov, A. I. Dmitriev, S. G. Psakhie
"... In using the method of molecular dynamics simulation of contact interaction between the copper ..."
 
Vol 5, No 1 (2014) The adsorption properties of polycrystalline graphene: quantum-chemical simulation Abstract  PDF (Eng)  similar documents
N. A. Lvova, O. Yu. Ananina
"... This study presents the results of quantum-chemical simulation of H2O, NH3, PH3, and CH4 molecules ..."
 
Vol 15, No 1 (2024) Molecular dynamics study of nanofluids viscosity with carbon tubes Abstract  PDF (Eng)  similar documents
V. Ya. Rudyak, S. L. Krasnolutskii, E. V. Lezhnev
"... The purpose of this paper is molecular dynamics simulation of viscosity of benzene-based ..."
 
Vol 9, No 4 (2018) Capillary filling of carbon nanotubes by BiCl3: TEM and MD insight Abstract  PDF (Eng)  similar documents
E. A. Anumol, F. L. Deepak, A. N. Enyashin
"... Among numerous trichlorides, the melt of BiCl3 is a distinctly molecular liquid with a relatively ..."
 
Vol 2, No 3 (2011) The modeling of SiC phases on basis of nanostructures Abstract  similar documents
E. A. Belenkov, E. N. Agalyamova, V. A. Greshnyakov
"... by molecular mechanics methods and semiempirical quantum-mechanical methods; the structural parameters and some ..."
 
Vol 10, No 1 (2019) Effect of nitrogen impurities on ZnS polymorphism Abstract  PDF (Eng)  similar documents
I. S. Popov, A. S. Vorokh, A. N. Enyashin
"... The ZnS polymorphs – sphalerite and wurtzite – have the very close formation energies, setting ..."
 
Vol 7, No 1 (2016): Special Issue: Proceedings of the 12th Biennial International Conference “Advanced Carbon Nanostructures” (ACNS’2015) TEM study of structure of graphene layers in shungite carbon Abstract  PDF (Eng)  similar documents
V. V. Kovalevski, I. A. Moshnikov
 
Vol 7, No 1 (2016): Special Issue: Proceedings of the 12th Biennial International Conference “Advanced Carbon Nanostructures” (ACNS’2015) Comparative Raman study of photo-oligomer stability in the donor-acceptor fullerene complex {Pt(dbdtc)2}·C60 and pristine C60 Abstract  PDF (Eng)  similar documents
K. P. Meletov, J. Arvanitidis, D. Christofilos, G. Kourouklis
"... temperature in the molecular donor-acceptor fullerene complex {Pt(dbdtc)2}·C60 (C60 complex with platinum ..."
 
Vol 15, No 1 (2024) Simulation and evaluation of perovskite solar cells utilizing various electron transport layers Abstract  PDF (Eng)  similar documents
R. K. Shukla, A. Srivastava, S. Rani, N. Singh, V. K. Dwivedi, S. Pandey, N. Wadhwani
"... the field of solar energy, consistently enhancing their efficiency year by year. In our study, we devised ..."
 
Vol 5, No 1 (2014) Simulation of secondary electron transport in thin metal and fullerite films Abstract  PDF (Eng)  similar documents
E. O. Petrenko, M. V. Makarets, V. M. Mikoushkin, V. M. Pugach
"... and metal films under photons and electron irradiation were studied by computer simulation. Studied ..."
 
Vol 5, No 6 (2014) Navigation on the energy surface of the noncollinear Alexander-Anderson model Abstract  PDF (Eng)  similar documents
P. F. Bessarab, A. Skorodumov, V. M. Uzdin, H. J´onsson
"... adsorbed on a metal surface are described, including the energy surface as a function of the the angles ..."
 
Vol 8, No 6 (2017) Calculations of switching field and energy barrier for magnetic islands with perpendicular anisotropy Abstract  PDF (Eng)  similar documents
S. Y. Liashko, H. Jónsson, V. M. Uzdin
"... dependence of the activation energy at zero field. This is in contrast with the estimates obtained from ..."
 
Vol 3, No 1 (2012) Universal interatomic potential for pure metals Abstract  similar documents
V. E. Zalizniak, O. A. Zolotov
"... be used in molecular dynamics simulations of large atomic systems. ..."
 
Vol 6, No 1 (2015) Thermally induced transitions and minimum energy paths for magnetic systems Abstract  PDF (Eng)  similar documents
E. V. Alexandrov
"... , the standard MonteCarlo simulation is not suitable for the theoretical description of such phenomena. However ..."
 
Vol 9, No 3 (2018) Possibility of drug delivery due to hydrogen bonds formation in nanodiamonds and doxorubicin: molecular modeling Abstract  PDF (Eng)  similar documents
A. N. Bokarev, I. L. Plastun
"... simulation. Using molecular modeling by the density functional theory method with the B3LYP functional ..."
 
Vol 15, No 1 (2024) Graph spectral analysis of nonane isomers Abstract  PDF (Eng)  similar documents
B. I. Andrew, A. Anuradha
"... chemical formula but different structural arrangement. Due to this, their corresponding molecular graphs ..."
 
Vol 5, No 6 (2014) Spectral regularities of the critical energy density of the pentaerythriol tetranitrate-aluminum nanosystems initiated by the laser pulse Abstract  PDF (Eng)  similar documents
A. V. Kalenskii, M. V. Ananyeva
"...    In this work, the absorption of aluminum nanoparticles and the critical energy densities ..."
 
Vol 7, No 1 (2016): Special Issue: Proceedings of the 12th Biennial International Conference “Advanced Carbon Nanostructures” (ACNS’2015) Pressure-assisted photopolymerization in the molecular donor-acceptor fullerene complex {Cd(dedtc)2}2C60 Abstract  PDF (Eng)  similar documents
K. P. Meletov, J. Arvanitidis, D. Christofilos, G. Kourouklis
"... number of sp3-like coordinated carbon atoms per molecular cage. The polymer content increases ..."
 
Vol 5, No 6 (2014) Effect of the elimination of the barrier layer period in productive process and its simulation of absorption spectra for anodic alumina membrane Abstract  PDF (Eng)  similar documents
M. R. Mohebbifar, M. Ahmadi Daryakenari, G. Mosallanezhad, M. Zohrabi
"... membrane has its empty pores filled with gold, simulations were done in order investigate its absorption ..."
 
Vol 7, No 4 (2016) Optically tuned poly (3-hexylthiophene-2,5-diyl) P3HT/PCBM (modified fullerene) blend for plastic solar cell Abstract  PDF (Eng)  similar documents
Ishwar Naik, Rajashekhar Bhajantri, Lohit Naik, B. S. Patil, Ullas Shetti Pragasam, Sunil Rathod, Jagadeesh Naik
"... the photoactive blend of (P3HT)) and PCBM for the maximum absorption of the solar energy. P3HT: PCBM blends ..."
 
Vol 16, No 2 (2025) Simulation of a quasi-ballistic quantum-barrier field-effect transistor based on GaAs quantum wire Abstract  PDF (Eng)  similar documents
D. V. Pozdnyakov, A. V. Borzdov, V. M. Borzdov
"... of electron energy levels. ..."
 
Vol 16, No 2 (2025) Alcohol dehydrogenase: molecular dynamics study of conformational and orientational behaviour of the enzyme in complex with nad during sorption on the surface of electrode materials using graphite as an example Abstract  PDF (Eng)  similar documents
I. A. Baigunov, Kh. T. Kholmurodov, P. P. Gladyshev
"... In this work, computer molecular dynamics (MD) studies of the orientation and structural ..."
 
Vol 5, No 1 (2014) Migration processes on the surface of carbon nanotubes with substitute boron atoms Abstract  PDF (Eng)  similar documents
S. Boroznin, E. Boroznina, P. A. Zaporotskov, O. A. Davletova
"... of an ionic-embedded covalent-cyclic cluster model, molecular cluster model and DFT method. We found that when ..."
 
Vol 7, No 5 (2016) Computer simulation of periodic nanostructures Abstract  PDF (Eng)  similar documents
E. N. Grishanov, I. Y. Popov
 
Vol 4, No 6 (2013) Semiclassical analysis of tunneling through a smooth potential barrier and localized states in graphene monolayer with mass gap Abstract  PDF (Eng)  similar documents
V. V. Zalipaev, C. M. Linton
"... with the real part of one of the complex energy eigenlevels. These facts were confirmed by numerical simulations ..."
 
Vol 2, No 3 (2011) Nonlinear dynamic variations in internal structure of a complex lattice Abstract  PDF (Eng)  similar documents
A. V. Porubov, B. R. Andrievsky
"... structure of the lattice due to an influence of a dynamic loading. Numerical simulations are performed ..."
 
Vol 5, No 5 (2014) Regularities of light diffusion in the composite material pentaerythriol tetranirate - nickel Abstract  PDF (Eng)  similar documents
A. A. Zvekov, M. V. Ananyeva, A. V. Kalenskii, A. P. Nikitin
 
Vol 8, No 1 (2017) The polymer composites’ morphological structure simulation Abstract  PDF (Eng)  similar documents
S. A. Drozdov, V. G. Nazarov, S. A. Nozdrachev, Yu. V. Rudyak, G. O. Rytikov
 
Vol 3, No 3 (2012) Energy transfer in a molecule of NADH Abstract  similar documents
E. P. Kon`kova, M. B. Belonenko
"... is determined. The data obtained are indicative of the presence of nonradiative singlet-singlet energy transfer ..."
 
Vol 12, No 4 (2021) On Sombor energy of graphs Abstract  PDF (Eng)  similar documents
K. J. Gowtham, Narahari Narasimha Swamy
"... for a graph G, called the Sombor matrix, and defines a new variant of graph energy called Sombor energy ES(G ..."
 
Vol 15, No 5 (2024) Eccentricity Laplacian energy of a graph Abstract  PDF (Eng)  similar documents
A. Harshitha, S. Nayak, S. D’Souza
"... are the eigenvalues of the eccentricity Laplacian matrix, then the eccentricity Laplacian energy of G is ELE(G) = Xn i ..."
 
Vol 6, No 6 (2015) First observations of entropy vs free energy for lattice based Ising model for spin coarsening in conserved and non-conserved binary mixtures: a phenomenological study of phase transitions in 2D thin films Abstract  PDF (Eng)  similar documents
Pal Singh Satya
"... This paper presents the results of Monte Carlo (MC) simulation for paramagnetic, ferromagnetic ..."
 
Vol 2, No 3 (2011) The features of structure transformation caused by nano-burnishing process Abstract  PDF (Eng)  similar documents
A. I. Dmitriev, A. Yu. Nikonov, V. P. Kuznetsov
"... In the paper the method of molecular dynamics is used to investigate the features of structure ..."
 
Vol 3, No 2 (2012) Quasi-fractals: New possibilities in describing of the self-similar clusters Abstract  similar documents
A. P. Alekhin
 
Vol 12, No 3 (2021) The F-index and coindex of V-Phenylenic Nanotubes and Nanotorus and their molecular complement graphs Abstract  PDF (Eng)  similar documents
Mohammed S.Y. Alsharafi, Abdu Q. Alameri
"... which often appear in drug molecular graphs. In this paper, we studied the F-index and F-coindex ..."
 
Vol 3, No 5 (2012) Nanophotonics integrated circuits simulation: FDTD method Abstract  similar documents
K. S. Ladutenko, P. A. Belov
"... with other numerical methods of electromagnetic phenomena simulation is made. The requirements to performance ..."
 
Vol 7, No 3 (2016) Dielectric properties of polyamide 12-chromium (III) oxide nanocomposites Abstract  PDF (Eng)  similar documents
E. S. Shapoval, V. V. Zuev
"... matrix that manifested in decrease of the activation energy of the αand β-relaxation processes and glass ..."
 
Vol 10, No 6 (2019) Methodology of analyzing the InSb semiconductor quantum dots parameters Abstract  PDF (Eng)  similar documents
A. I. Mikhailov, V. F. Kabanov, M. V. Gavrikov
 
Vol 10, No 6 (2019) Phosphors with different morphology, formed under hydrothermal conditions on the basis of ZrO2:Eu3+ nanocrystallites Abstract  PDF (Eng)  similar documents
A. N. Bugrov, R. Yu. Smyslov, T. V. Khamova, D. A. Kirilenko, I. A. Rodionov
"... of electronic excitation energy transfer from the host matrix to photoactive centers. The decrease ..."
 
Vol 10, No 6 (2019) SiO2 barrier layer influence on the glass composites with oxide nano films laser ablation destruction Abstract  PDF (Eng)  similar documents
V. G. Shemanin, E. V. Kolpakova, A. B. Atkarskaya, O. V. Mkrtychev
"... destruction threshold energy density values decrease with the light transmission growth in the visible range ..."
 
Vol 2, No 2 (2011) MD calculation mechanical properties of Fluorographene Abstract  PDF (Eng)  similar documents
M. A. Mazo, E. B. Gusarova, T. P. Tovstik, N. K. Balabaev
"... or fluorographen (FG). The calculations were performed by molecular dynamics (MD) simulation using a force field ..."
 
Vol 9, No 1 (2018) Sensitivity of carboxyl-modified carbon nanotubes to alkaline metals Abstract  PDF (Eng)  similar documents
N. P. Boroznina, I. V. Zaporotskova, S. V. Boroznin
"... . The simulation has been carried out using the molecular cluster model and the MNDO and DFT calculation methods ..."
 
Vol 4, No 3 (2013) Interatomic interaction in fcc metals Abstract  PDF (Eng)  similar documents
V. E. Zalizniak
"... to the equilibrium lattice constant, cohesion energy, vacancy formation energy, bulk modulus and three elastic ..."
 
Vol 5, No 4 (2014) Electronic structure and stabilization of C60 fullerene encapsulating actinide atom Abstract  PDF (Eng)  similar documents
M. V. Ryzhkov, A. L. Ivanovskii, B. Delley
 
Vol 2, No 3 (2011) Thermal expansion coefficient for copper nanoclusters by molecular-dynamic method Abstract  similar documents
E. I Golovneva, I. F. Golovnev, V. M. Fomin
"... In the work it is carried out the molecular-dynamic research of thermal expansion linear ..."
 
Vol 14, No 2 (2023) Study of ion partitioning in nanoporous materials by analytical approach and molecular modeling Abstract  PDF (Eng)  similar documents
J. Dweik, M. Koabazb
"... such as Monte Carlo (GCMC) and classical molecular dynamics (MD). These techniques are used to study ..."
 
Vol 5, No 4 (2014) Relations between activation energies for nucleation and of growth of crystals Abstract  PDF (Eng)  similar documents
O. D. Linnikov
"... of nucleation has been undertaken. A number of interesting relations between the activation energies ..."
 
Vol 8, No 5 (2017) Features of the energy spectrum of indium antimonide quantum dots Abstract  PDF (Eng)  similar documents
A. I. Mikhailov, V. F. Kabanov, N. D. Zhukov, E. G. Glukhovskoy
"... Energy spectrum of indium antimonide (InSb) quantum dots (QD) was analyzed in this paper ..."
 
Vol 4, No 4 (2013): Special Issue. INTERNATIONAL CONFERENCE "MATHEMATICAL CHALLENGE OF QUANTUM TRANSPORT IN NANOSYSTEMS - 2013. PIERRE DUCLOS WORKSHOP" The conuctivity low energy asymptotics for monolayer graphene Abstract  PDF (Eng)  similar documents
N. E. Firsova
"... of the Fermi energy. The obtained results are in good agreement with experimental curves which show ..."
 
Vol 2, No 4 (2011) Evaluation criteria of energy properties of surface of nanomaterials Abstract  similar documents
M. A. Frolova, A. S. Tutygin, A. M. Aizenstadt, V. S. Lesovik, T. A. Makhova, T. A. Pospelova
"... ) were calculated, using the method of Zisman. Greatly increased supply of surface free energy ..."
 
Vol 7, No 6 (2016) Minimum energy path calculations with Gaussian process regression Abstract  PDF (Eng)  similar documents
O-P. Koistinen, E. Maras, H. Jonsson
"... The calculation of minimum energy paths for transitions such as atomic and/or spin rearrangements ..."
 
Vol 11, No 3 (2020) Mechanisms of energy-efficient magnetization switching in a bistable nanowire Abstract  PDF (Eng)  similar documents
M.H.A. Badarneh, G. J. Kwiatkowsk, P. F. Bessarab
"... Theoretical calculations of optimal control paths minimizing the energy cost of the magnetization ..."
 
Vol 9, No 6 (2018) Models of the energy landscape for an element of shakti spin ice Abstract  PDF (Eng)  similar documents
U. B. Arnalds, S. Y. Liashko, P. F. Bessarab, V. M. Uzdin, H. Jonsson´
"... between the two poles is optimized to match the micromagnetic results. The closest agreement in the energy ..."
 
Vol 12, No 3 (2021) Personalized energy systems based on nanostructured materials Abstract  PDF (Eng)  similar documents
A. N. Kovalenko, E. A. Tugova, V. I. Popkov, O. N. Karpov, A. I. Klyndyuk
"... In this paper, the achievements, problems and prospects of creating personalized energy systems ..."
 
Vol 14, No 6 (2023) Toward nanomagnetic implementation of energy-based machine learning Abstract  PDF (Eng)  similar documents
I. S. Lobanov
"... as energy based models, which are famous for being trained by minimization of free energy. In the standard ..."
 
Vol 15, No 3 (2024) Energy and spectral radius of Zagreb matrix of graph with applications Abstract  PDF (Eng)  similar documents
Sh. S. Shetty, K. A. Bhat
"... are the eigenvalues of its Z-matrix and the Zagreb energy of Γ is the sum of absolute values of its Zagreb eigenvalues ..."
 
Vol 4, No 3 (2013) Dielectric Waveguide Optimization for the Enhancement of TE-Polarization Transmission of Plasmonics-Based MSM-PD Abstract  PDF (Eng)  similar documents
Ayman Karar, Chee Leong Tan, Kamal Alameh, Yong Tak Lee
"... waveguide on top of metal nano-gratings. Simulation results demonstrate that the funneling transmission ..."
 
Vol 12, No 6 (2021) Ab initio calculations of layered compounds consisting of sp3 or sp+sp2 hybridized carbon atoms Abstract  PDF (Eng)  similar documents
E. A. Belenkov, V. A. Greshnyakov, V. V. Mavrinskii
 
Vol 12, No 1 (2021) On the long-distance charge transport in DNA-like macromolecules Abstract  PDF (Eng)  similar documents
D. Chevizovich, A. V. Chizhov, Z. Ivić, A. A. Reshetnyak
"... to an energetically favorable state depends on the ratio of the energy parameters of the molecular structure. ..."
 
Vol 2, No 2 (2011) Simulation of elastic and plastic properties of polymeric composites with silicate lamellar nanofiller Abstract  PDF (Eng)  similar documents
O. K. Garishin, S. N. Lebedev
"... at structural level. Outcomes of computer simulation are presented. Nano-filler particles are modeled ..."
 
Vol 8, No 1 (2017) Simulation of DIBL effect in junctionless SOI MOSFETs with extended gate Abstract  PDF (Eng)  similar documents
A. E. Atamuratov, M. Khalilloev, A. Abdikarimov, Z. A. Atamuratova, M. Kittler, R. Granzner, F. Schwierz
"... . The equivalent oxide thicknesses of the HfO2 gate insulator used in simulation was 0.55 nm. Simulation result ..."
 
Vol 2, No 4 (2011) Numerical simulation of formation of the titan dioxide in the plasma-chemical reactor of flowing-type Abstract  similar documents
S. M. Aulchenko, E. V. Kartaev, O. B. Kovalev
"... Results of numerical simulation of formation and growth of particles of a titan dioxide ..."
 
Vol 8, No 1 (2017) Simulation of DIBL effect in 25 nm SOI-FinFET with the different body shapes Abstract  PDF (Eng)  similar documents
A. E. Atamuratov, A. Abdikarimov, M. Khalilloev, Z. A. Atamuratova, R. Rahmanov, A. Garcia-Loureiro, A. Yusupov
"... . Simulation results show the source-drain barrier decreasing with increasing the upper body thickness ..."
 
Vol 15, No 5 (2024) Simulation of Bessel plasmon polariton field formation in a dielectric-metal structure Abstract  PDF (Eng)  similar documents
Nguyen Pham Quynh Anh
 
Vol 16, No 3 (2025) Optimality of linear vacancy defect for skyrmion nucleation Abstract  PDF (Eng)  similar documents
M. N. Potkina, I. S. Lobanov
"... remains a challenge. Using atomistic spin simulations and minimum energy path calculations in a PdFe/Ir ..."
 
Vol 2, No 2 (2011) Localization of bending vibrations in the single-wall carbon nanotubes Abstract  PDF (Eng)  similar documents
V. V. Smirnov, D. S. Shepelev, L. I. Manevitch
"... to effective confinement of energy in the part of the system only. We study this process in the terms ..."
 
Vol 3, No 1 (2012) Photon density of states in optical nanomaterials and control of energy levels of atoms Abstract  similar documents
R. Kh. Gainutdinov, M. A. Khamadeev, E. V. Zajtseva, M. Kh Salakhov
"... may lead to changes of energy levels of atoms placed in a periodic dielectric medium of nanometer size. ..."
 
Vol 9, No 3 (2018) Interplay between size and stability of magnetic skyrmions Abstract  PDF (Eng)  similar documents
A. S. Varentsova, M. N. Potkina, S. von Malottki, S. Heinze, P. F. Bessarab
"... is analyzed based on minimum energy path calculations and atomistic spin Hamiltonian. It is demonstrated ..."
 
Vol 9, No 5 (2018) Vibron transport in macromolecular chains with squeezed phonons Abstract  PDF (Eng)  similar documents
D. Cevizovi ˇ c, A. V. Chizhov, S. Galovic
 
Vol 12, No 5 (2021) Structural and energetic analysis of cyclic peptide-gold nano-drug delivery system: a DFT study Abstract  PDF (Eng)  similar documents
B. Khoshbayan, A. Morsali, M. R. Bozorgmehr, S. A. Beyramabad
"... (FU) were investigated. Binding energies, quantum molecular descriptors, and solvation energies ..."
 
Vol 5, No 1 (2014) Topological mechanochemistry of graphene Abstract  PDF (Eng)  similar documents
E. F. Sheka, V. A. Popova, N. A. Popova
"... in the course of the mechanochemical reaction. Basing on the molecular theory of graphene, the effects ..."
 
Vol 4, No 2 (2013) Miscibility studies of PVC/PMMA blends in Tetrahydrofuran by viscosity, density, refractive index and ultrasonic velocity method Abstract  PDF (Eng)  similar documents
Gautam Kumar Sah, Ashok Kumar Gupta
"... parameters μ and α proposed by Chee and Sun et al. to identify the molecular interaction arising ..."
 
Vol 4, No 5 (2013) Miscibility studies of PC/PMMA blends in Tetrahydrofuran by Viscometry, FTIR and SEM analysis Abstract  PDF (Eng)  similar documents
Ashok kumar Gupta, kumar sah Gautam
"... and Sun et al. to identify the molecular interaction arising in solutions of the mentioned polymer blends ..."
 
Vol 7, No 6 (2016) Silicene is a phantom material Abstract  PDF (Eng)  similar documents
E. F. Sheka
"... tetrels analogues from the viewpoint of the spin molecular theory taking into account the electron ..."
 
Vol 13, No 3 (2022) Assessment of structural changes in proteins and surrounding water molecules in solution according to SAXS and MD data Abstract  PDF (Eng)  similar documents
A. V. Smirnov, A. M. Semenov, Yu. B. Porozov, B. A. Fedorov
"... The SASPAR program for calculation of SAXS of proteins in solution uses trajectories of molecular ..."
 
Vol 8, No 5 (2017) Truncated minimum energy path method for finding first order saddle points Abstract  PDF (Eng)  similar documents
I. S. Lobanov, M. N. Potkina, H. H. J´onsson, V. M. Uzdin
"... A method for finding a selected region of the minimum energy path between two local minima ..."
 
Vol 12, No 1 (2021) Analysis of the energy spectrum of indium antimonide quantum dots with temperature changes Abstract  PDF (Eng)  similar documents
V. F. Kabanov, A. I. Mikhailov, M. V. Gavrikov
"... In this paper we have analyzed the broadening of the levels of the energy spectrum of indium ..."
 
Vol 12, No 5 (2021) The influence of edge specific surface energy on the direction of hydrosilicate layers scrolling Abstract  PDF (Eng)  similar documents
A. A. Krasilin
"... The present study reports on energy modeling of morphological features of hydrosilicate ..."
 
Vol 15, No 3 (2024) Synthesis and study of nickel sulfide nanostructures for energy storage device applications Abstract  PDF (Eng)  similar documents
M. M. Kamble, Bh. R. Bade, A. V. Rokade, V. S. Waman, S. V. Bangale, S. R. Jadkar
 
Vol 15, No 4 (2024) Fast forward problem for adiabatic quantum dynamics: Estimation of the energy cost. Abstract  PDF (Eng)  similar documents
J. D. Matrasulov, J. R. Yusupov, Kh. Sh. Matyokubov
"... We consider the problem of energy cost needed for acceleration (deceleration) of the evolution ..."
 
Vol 13, No 6 (2022) Photocatalytic activity of titanium dioxide produced by high-energy milling Abstract  PDF (Eng)  similar documents
E. A. Kozlova, A. A. Valeeva, A. A. Sushnikova, A. V. Zhurenok, A. A. Rempel
"... In this work, photocatalysts based on titanium dioxide were synthesized by high-energy ball ..."
 
Vol 4, No 2 (2013) Effect of anchoring atoms on transport properties of a carbon-dimer based molecular junction: a first principles study Abstract  PDF (Eng)  similar documents
R. M. Hariharan, D. John Thiruvadigal
"... The conductance of a molecular device is sensitive to the contact geometry between the molecules ..."
 
Vol 6, No 4 (2015) Boundary effect on multiple scattering of elastic waves in a half-space Abstract  PDF (Eng)  similar documents
A. Yu. Val’kov, V. L. Kuzmin, V. P. Romanov, M. A. Nikitina, V. Meglinskii
"... for studying layered media. Monte-Carlo simulations of elastic wave scattering from random inhomogeneities ..."
 
Vol 4, No 3 (2013) Silver-Nanoparticle-Based Etch Mask Control for Subwavelength Structure Development Abstract  PDF (Eng)  similar documents
Nazme Moushumy, K. Alameh, V. Rajendran, Yong Tak Lee
"... (FDTD) software package. Simulation results show that substantial reduction in light reflection can ..."
 
Vol 7, No 1 (2016): Special Issue: Proceedings of the 12th Biennial International Conference “Advanced Carbon Nanostructures” (ACNS’2015) Biocompatible water-soluble endometallofullerenes: peculiarities of self-assembly in aqueous solutions and ordering under an applied magnetic field Abstract  PDF (Eng)  similar documents
V. T. Lebedev, Yu. V. Kulvelis, V. V. Runov, A. A. Szhogina, M. V. Suyasova
"... Tomography). Their functional characteristics depend strongly on molecular self-assembly which may be altered ..."
 
Vol 6, No 3 (2015) Storage and separation of CO2 and CH4 in boron imidazolate frameworks: a theoretical study from Monte Carlo simulation Abstract  PDF (Eng)  similar documents
B. Assfour, S. Leoni
"... using atomistic simulation to provide information for material selection in adsorbent designs ..."
 
Vol 8, No 5 (2017) Energetics of carbon nanotubes with open edges: Modeling and experiment Abstract  PDF (Eng)  similar documents
V. G. Zavodinsky, O. A. Gorkusha, A. P. Kuz’menko
"... and orbitalfree (OF) method are used to for calculation of the binding energies per atom as functions ..."
 
Vol 2, No 4 (2011) Attractive or repulsive Casimir effect and boundary conditions Abstract  PDF (Eng)  similar documents
M. Asorey, J.M. Mu˜noz-Casta˜neda
"... of the Casimir energy function in the space of the consistent boundary conditions ℳF for a massless scalar field ..."
 
Vol 8, No 5 (2017) Thermal stability of magnetic states in submicron magnetic islands Abstract  PDF (Eng)  similar documents
S. Y. Liashko, I. S. Lobanov, V. M. Uzdin, H. J´onsson
"... the harmonic approximation to transition state theory. Stable magnetic states, minimum energy paths between ..."
 
Vol 12, No 4 (2021) Design of 2:4 and 3:8 decoder circuit using QCA technology Abstract  PDF (Eng)  similar documents
Ratna Chakrabarty, S. Roy, T. Pathak, D. Ghosh, N. K. Mandal
"... which helps in decreasing the energy dissipation of the circuits. Finally, the proposed designs ..."
 
Vol 12, No 5 (2021) Surface plasmon resonance optical sensor for COVID-19 detection Abstract  PDF (Eng)  similar documents
H. A. Zain, M. Batumalay, H. R. A. Rahim, Z. Harith, M. Yasin, S. W. Harun
 
Vol 16, No 3 (2025) Free energy and entropy for the constructive Gibbs measures of the Ising model on the Cayley tree of order three Abstract  PDF (Eng)  similar documents
M. M. Rahmatullaev, Z. A. Burxonova
"... energies and entropies corresponding to the identified measures are calculated. These free energies ..."
 
Vol 11, No 6 (2020) Machine learning method for computation of optimal transitions in magnetic nanosystems Abstract  PDF (Eng)  similar documents
K. R. Bushuev, I. S. Lobanov
"... Minimum energy path (MEP) is an important tool for computation of activation barriers ..."
 
Vol 10, No 2 (2019) Temperature dependence of quantum correlations in 1D macromolecular chains Abstract  PDF (Eng)  similar documents
A. V. Chizhov, D. Chevizovich, Z. Ivic, S. Galovic´
 
Vol 15, No 4 (2024) Diameter dependent geometrical and electrical properties of zigzag HgSe nanotubes: A density functional study. Abstract  PDF (Eng)  similar documents
M. Das
"... width, binding energy, strain energy, band structure, density of states etc. of several zigzag HgSe ..."
 
Vol 8, No 6 (2017) Instantons describing tunneling between magnetic states at finite temperature Abstract  PDF (Eng)  similar documents
S. M. Vlasov, P. F. Bessarab, V. M. Uzdin, H. Jónsson
"... continuation of the energy to allow for complex values of the angle variables. First, a set of discretization ..."
 
Vol 7, No 3 (2016) Mathematical modeling for the evaluation of various parameters of 5-methyl salicylaldehyde aniline nano composite using fuzzy evidence theory Abstract  PDF (Eng)  similar documents
R. Irene Hepzibah, G. Geethalakshmi, R. Ida Malarselvi
"... molecules and changes in molecular association equilibria as well as structural effects for these systems ..."
 
Vol 7, No 1 (2016): Special Issue: Proceedings of the 12th Biennial International Conference “Advanced Carbon Nanostructures” (ACNS’2015) Synthesis, isolation, and X-ray structural characterization of trifluoromethylated C78 fullerenes: C78(2)(CF3)10/12 and C78 (3)(CF3)12/14 Abstract  PDF (Eng)  similar documents
N. B. Tamm, M. P. Kosaya, M. A. Fritz, S. I. Troyanov
"... fraction. Their molecular structures were determined by single crystal X-ray crystallography using ..."
 
Vol 8, No 6 (2017) Cerium dioxide nanoparticles as third-generation enzymes (nanozymes) Abstract  PDF (Eng)  similar documents
A. L. Popov, A. B. Shcherbakov, N. M. Zholobak, A. Ye. Baranchikov, V. K. Ivanov
"... on their composition and pH of media, development of molecular sensors and biosensors, etc. ..."
 
Vol 5, No 1 (2014) Utilizing of the medium-energy ion scattering spectrometry for the composition investigation of graphene oxide films on silicon surface Abstract  PDF (Eng)  similar documents
V. V. Afrosimov, A. T. Dideykin, V. I. Sakharov, I. T. Serenkov, S. P. Vul
"... The possibilities of Medium-Energy Ion Scattering (MEIS) spectrometry combined with ion channeling ..."
 
Vol 2, No 1 (2011) Optical functions and band gap of porous silicon at the energy 0,1–6,2 Ev Abstract  similar documents
D. T. Yan
 
Vol 4, No 2 (2013) Effect of high energy electron beam irradiation on the optical properties of nanocrystalline TiO2 Abstract  PDF (Eng)  similar documents
K. P. Priyanka, Sunny Joseph, AnuTresa Sunny, Thomas Varghese
"... The effect of high energy electron beam irradiation on the optical properties of TiO2 ..."
 
Vol 7, No 6 (2016) The dependence of the critical energy density and hot-spot temperature on the radius of metal nanoparticles in PETN Abstract  PDF (Eng)  similar documents
A. A. Zvekov, A. P. Nikitin, E. V. Galkina, A. V. Kalenskii
"... The dependencies of critical energy density and corresponding hot-spot temperature were calculated ..."
 
Vol 16, No 3 (2025) Effect of electron-phonon interaction on the first excited energy level of a Gaussian GaAs quantum dot Abstract  PDF (Eng)  similar documents
S. Mukhopadhyay, Ch. Vidyullatha, P. Saini, Z. Malik
"... under a plausible approximation. It is shown that this energy depends both on the strength and range ..."
 
Vol 9, No 4 (2018) Effect of nonstoichiometry and amount of additives on the structure of HAp-TiOy mixtures produced by high-energy fragmentation Abstract  PDF (Eng)  similar documents
S. V. Rempel, K. A. Sergeeva, H. Schroettner, А. А. Valeeva
"... . It was established that the high-energy milling does not lead to a considerable decrease in the particle size ..."
 
Vol 14, No 1 (2023) Influence of high energy milling on titanium oxide Ti3O5 crystal structure Abstract  PDF (Eng)  similar documents
A. A. Valeeva, I. B. Dorosheva, A. A. Sushnikova
"... by using high-energy ball milling for 15 – 480 minutes. A full-profile analysis of the X-ray diffraction ..."
 
Vol 13, No 4 (2022) Sol-gel spin coating of dielectric reflector for energy harvesting and heat shielding applications Abstract  PDF (Eng)  similar documents
R. S. Dubey, Yepuri Venkatesh
 
Vol 13, No 6 (2022) Spin Boltzmann machine Abstract  PDF (Eng)  similar documents
I. S. Lobanov
"... is faster and more energy efficient than a simulation on digital computers. At the moment, a hardware BM ..."
 
Vol 10, No 4 (2019) The prediction of COOH functionalized carbon nanotube application in melphalan drug delivery Abstract  PDF (Eng)  similar documents
Hadi Lari, Ali Morsali, Mohammad Momen Heravi
"... on the surface of functionalized carbon nanotube (NT) have been examined. Quantum molecular descriptors ..."
 
Vol 5, No 6 (2014) New route to poly (2, 6–diimidaazo (4,5-b: 4’,5-e) pyridinelene-1,4 (2,5-dihydroxy)-phenylene) (PIPD) and high modulus fiber on it basis Abstract  PDF (Eng)  similar documents
Jun Li, Zhen Hu, Yuanjun Song, Yudong Huang, V. V. Zuev
"... . PIPD was synthesized by step-by-step heating in polyphosphoric acid with molecular weights of 19 – 25 ..."
 
Vol 12, No 2 (2021) A quantum chemical study on the magnetic nanocarrier-tirapazamine drug delivery system Abstract  PDF (Eng)  similar documents
S. Avarand, A. Morsali, M. M. Heravi, S. А. Beyramabadi
"... ) and intraring N-atom (MNP/TP4) functional groups. The negative values of binding energies and quantum molecular ..."
 
Vol 7, No 4 (2016) Surfactant assisted synthesis of nanocrystalline n-Bi2Se3 thin films at room temperature via arrested precipitation technique Abstract  PDF (Eng)  similar documents
N. D. Desai, S. M. Patil, K. V. Khot, R. M. Mane, P. N. Bhosale
"... gap energy ranging from 1.40–1.80 eV. The X-ray diffraction (XRD) pattern confirms rhombohedral ..."
 
Vol 8, No 6 (2017) Viscoelastic properties of new mixed wormlike micelles formed by a fatty acid salt and alkylpyridinium surfactant Abstract  PDF (Eng)  similar documents
A. V. Shibaev, O. E. Philippova
"... of cationic surfactant also induces the increase of difference between scission energy and micellar ..."
 
Vol 7, No 1 (2016): Special Issue: Proceedings of the 12th Biennial International Conference “Advanced Carbon Nanostructures” (ACNS’2015) Is graphane the most stable carbon monohydride? Abstract  PDF (Eng)  similar documents
M. V. Kondrin, V. V. Brazhkin
"... We discuss a number of hydrocarbon structures whose cohesive energy is not worse than ..."
 
Vol 7, No 4 (2016) Zinc oxide-palladium material an efficient solar-light driven photocatalyst for degradation of congo red Abstract  PDF (Eng)  similar documents
Karuppannan Rokesh, Kulandaivel Jeganathan, Kandasamy Jothivenkatachalam
"... by UV-Vis spectroscopy, photoluminescence spectroscopy, X-ray diffraction analysis, energy dispersive X ..."
 
Vol 10, No 6 (2019) On the accuracy of the probe-sample contact stiffness measured by an atomic force microscope Abstract  PDF (Eng)  similar documents
A. V. Ankudinov
"... .The measurements are in good agreement with the simulation. ..."
 
Vol 6, No 6 (2015) Quantum dynamics of hydrogen-like atom in one-dimensional box with oscillating walls Abstract  PDF (Eng)  similar documents
S. Rakhmanov, O. Karpova, D. R. Rakhimboeva, F. Khashimova, D. Babajanov
"... solution, the average kinetic energy and binding energies are calculated as a function of time. It is found ..."
 
Vol 6, No 5 (2015) The motion of a charged particle in the field by a frequency-modulated electromagnetic wave Abstract  PDF (Eng)  similar documents
G. F. Kopytov, A. A. Martynov, N. S. Akintsov
 
Vol 2, No 4 (2011) Threshold eigenfunctions and threshold resonances of some relativistic operators Abstract  PDF (Eng)  similar documents
Y. Saitō, T. Umeda
 
Vol 7, No 6 (2016) Development of the orbital-free approach for hetero-atomic systems Abstract  PDF (Eng)  similar documents
V. G. Zavodinsky, O. A. Gorkusha
"... The key problem of the orbital-free approach is calculation of kinetic energy, especially ..."
 
Vol 11, No 1 (2020) Magnetoelectric effects theory by Heisenberg method based on permutation group symmetry of nanoparticles Abstract  PDF (Eng)  similar documents
S. Leble
"... to the magnetic and electric fields. The mean energy coefficients as the exchange integrals combinations ..."
 
Vol 9, No 4 (2018) Methodology of analyzing the CdSe semiconductor quantum dots parameters Abstract  PDF (Eng)  similar documents
A. I. Mikhailov, V. F. Kabanov, E. G. Glukhovskoy, M. I. Shishkin, M. V. Gavrikov
 
Vol 11, No 6 (2020) Nanostructured SiGe:Sb solid solutions with improved thermoelectric figure of merit Abstract  PDF (Eng)  similar documents
M. V. Dorokhin, P. B. Demina, Yu. M. Kuznetsov, I. V. Erofeeva, A. V. Zdoroveyshchev, M. S. Boldin, E. A. Lantsev, A. A. Popov, E. А. Uskova, V. N. Trushin
 
Vol 16, No 6 (2025) PHYSICO-MECHANICAL PROPERTIES AND RADIATION TOLERANCE OF MAGNESIUM-INDIUM FERRITE SYNTHESIZED BY THE POLYMER-NITRATE METHOD Abstract  similar documents
Galina Nikiforova, Maria Smirnova, Olga Kondrat'eva, Alexey Yapryntsev, Maria Dranik, Valery Ketsko
"... showed that the resulting material has high hardness. The band gap energy of MgFeInO4 was determined from ..."
 
Vol 14, No 5 (2023) On the spectrum of the two-particle Schrödinger operator with point potential: one dimensional case Abstract  PDF (Eng)  similar documents
U. N. Kuljanov
"... interactions is considered. The corresponding Schrödinger operator (energy operator) h" depending ..."
 
Vol 15, No 1 (2024) Non-compact perturbation of the spectrum of multipliers given by a special form Abstract  PDF (Eng)  similar documents
R. R. Kucharov, T. M. Tuxtamurodova
 
Vol 16, No 6 (2025) Physico-mechanical properties and radiation tolerance of magnesium-indium ferrite synthesized by the polymer-nitrate method Abstract  PDF (Eng)  similar documents
O. N. Kondrat'eva, M. N. Smirnova, G. E. Nikiforova, A. D. Yapryntsev, M. S. Dranik, V. A. Ketsko
"... showed that the resulting material has high hardness. The band gap energy of MgFeInO4 was determined from ..."
 
Vol 16, No 3 (2025) Magnetic structure of domain walls in stressed cylindrical wires Abstract  PDF (Eng)  similar documents
K. A. Chichay, I. S. Lobanov, V. M. Uzdin
"... stress component in each radial region is retained. Micromagnetic simulations reveal that the reduced ..."
 
Vol 17, No 1 (2026) Umbilic surfaces as a robust topological probe of 3D solitons in cholesteric liquid crystals Abstract  PDF (Eng)  similar documents
E. V. Aksenova, I. S. Lobanov, T. Orlova, V. M. Uzdin, A. D. Kiselev
"... -line approach that ensures reliable detection of umbilics on discrete simulation grids and thus avoids ..."
 
Vol 7, No 4 (2016) Dielectric studies of nanocrystalline calcium tungstate Abstract  PDF (Eng)  similar documents
N. Aloysius, M. S. Rintu, E. M. Muhammed, T. Varghese
"... precipitation. The samples were characterized by X-ray diffraction and scanning electron microscopy. Energy ..."
 
Vol 7, No 4 (2016) Superparamagnetism in FeCo nanoparticles Abstract  PDF (Eng)  similar documents
P. P. Pradyumnan
"... technique (XRD), selected area electron diffrac- tion (SAED), energy dispersive X-ray analysis (EDX ..."
 
Vol 7, No 4 (2016) ZnO/SnO2/Zn2SnO4 nanocomposite: preparation and characterization for gas sensing applications Abstract  PDF (Eng)  similar documents
M. Chitra, K. Uthayarani, N. Rajasekaran, N. Neelakandeswari, E. K. Girija, D. Pathinettam Padiyan
"... and the elemental composition is recorded using field emission scanning electron microscopy and energy dispersive X ..."
 
Vol 7, No 6 (2016) High-temperature superconductivity: From macro- to nanoscale structures Abstract  PDF (Eng)  similar documents
A. N. Kovalenko
"... levels, including change in the energy spectrum of atoms in these materials with the advent ..."
 
Vol 12, No 4 (2021) Ti3C2Tx thin film as a saturable absorber for passively generating Q-switched pulses in thulium-doped fiber laser cavity Abstract  PDF (Eng)  similar documents
M. A. Buntat, A. H.A. Rosol, M. F.M. Rusdi, A. A. Latif, M. Yasin, S. W. Harun
 
Vol 10, No 1 (2019) Heisenberg chain equations in terms of Fockian covariance with electric field account and multiferroics in nanoscale Abstract  PDF (Eng)  similar documents
S. Leble
"... symmetry with respect to permutations and space transformations group. The mean energy is given in explicit ..."
 
Vol 13, No 5 (2022) Preparation and investigation of the screen-printed cobalt oxide (Co3O4) nanostructured thick film with annealing temperature Abstract  PDF (Eng)  similar documents
U. M. Pagar, U. P. Shinde
"... . The Energy Dispersive Analysis by X-Ray (EDAX) shows that all compositions have desired stoichiometric ratios ..."
 
Vol 16, No 3 (2025) Influence of SiC MOSFET design on on-resistance and breakdown voltage Abstract  PDF (Eng)  similar documents
O. B. Chukanova, K. A. Tsarik
"... of the device, we proposed to increase the doping level of the drift region, and suggested a new transistor ..."
 
Vol 10, No 6 (2019) Modeling of linear optical controlled-Z quantum gate with dimensional errors of passive components Abstract  PDF (Eng)  similar documents
F. D. Kiselev, E. Y. Samsonov, A. V. Gleim
"... using Monte-Carlo simulation. The obtained results can be used for design and calibration stages of chip ..."
 
Vol 7, No 1 (2016): Special Issue: Proceedings of the 12th Biennial International Conference “Advanced Carbon Nanostructures” (ACNS’2015) Investigation of the sorption properties of carbon nanotubes with different boron impurity contents Abstract  PDF (Eng)  similar documents
S. V. Boroznin, I. V. Zaporotskova, N. P. Polikarpova
"... of numerous investigations into their electronic structure and energy spectrum parameters as well ..."
 
Vol 8, No 6 (2017) Stable Ti9O10 nanophase grown from nonstoichiometric titanium monoxide TiOy nanopowder Abstract  PDF (Eng)  similar documents
A. A. Valeeva, M. G. Kostenko
"... high energy ball milling and long-term vacuum annealing of nanocrystalline powder of nonstoichiometric ..."
 
Vol 8, No 6 (2017) Nanocluster structure deduced from AC-STEM images coupled to theoretical modelling Abstract  PDF (Eng)  similar documents
K. Sukuta, M. Van den Bossche, A. Pedersen, H. Jónsson
"... -dimensional AC-STEM image plus an estimate of the cluster’s energy for adding information about the third ..."
 
Vol 8, No 3 (2017) Cryometry data and excess thermodynamic functions in the binary system: water soluble bis-adduct of light fullerene C70 with lysine. Assymmetrical thermodynamic model of virtual gibbs energy decomposition – VD-AS Abstract  PDF (Eng)  similar documents
N. A. Charykov, K. N. Semenov, V. V. Keskinov, P. V. Garamova, D. P. Tyurin, I. V. Semenyuk, V. V. Petrenko, A. V. Kurilenko, M. Yu. Matuzenko, N. A. Kulenova, A. A. Zolotarev, D. G. Letenko
"... Asymmetric Model), based on the virial decomposition of the molar Gibbs energy of the component molar ..."
 
Vol 15, No 5 (2024) Ceramic materials prepared from nanocrystalline InFeZnO4 powder: optical and mechanical properties, and evaluation of radiation tolerance Abstract  PDF (Eng)  similar documents
Olga N. Kondrat’eva, Maria N. Smirnova, Galina E. Nikiforova, Alexey D. Yapryntsev, Dmitriy F. Kondakov, Leonid D. Yagudin
"... confirmed by FTIR spectroscopy. From the DRS data, it has been found that the band gap energy Eg of InFeZnO4 ..."
 
Vol 7, No 1 (2016): Special Issue: Proceedings of the 12th Biennial International Conference “Advanced Carbon Nanostructures” (ACNS’2015) Approaches to the determination of C60 and C70 fullerene and their mixtures in aqueous and organic solutions Abstract  PDF (Eng)  similar documents
I. V. Mikheev, T. A. Bolotnik, D. S. Volkov, M. V. Korobov, M. A. Proskurnin
"... dispersion is prepared for the first time. The residual quantity of the organic solvent and low-molecular ..."
 
Vol 7, No 1 (2016): Special Issue: Proceedings of the 12th Biennial International Conference “Advanced Carbon Nanostructures” (ACNS’2015) ERP study of graphite oxide thermal reduction: the evolution of paramagnetism and conductivity Abstract  PDF (Eng)  similar documents
M. V. Gudkov, V. P. Melnikov
"... and an activation energy value of 33 kcal/mol. The values of ke decreased with increasing the quantities of KMnO4 ..."
 
Vol 7, No 3 (2016) The use of transient electrolysis in the technology of oxide composite nanostructured materials: review Abstract  PDF (Eng)  similar documents
Zh. I. Bespalova, A. V. Khramenkova
"... . Advanced coatings are considered those whose formation method are simple and do not require high energy ..."
 
Vol 7, No 4 (2016) ZnS nanoparticles decorated graphene nanoplatelets as immobilisation matrix for glucose biosensor Abstract  PDF (Eng)  similar documents
G. Suganthi, T. Arockiadoss, T. S. Uma
"... electron microscopy (TEM), scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), FT-IR ..."
 
Vol 7, No 4 (2016) Optical and structural studies of vanadium pentoxide thin films Abstract  PDF (Eng)  similar documents
S. Ganeshan, P. Ramasundari, A. Elangovan, R. Vijayalakshmi
"... for the as-deposited substrate. The energy band gap of the films was found to be 2.45 eV and the band assignments ..."
 
Vol 7, No 4 (2016) Superhydrophobic coatings using nanomaterials for anti-frost applications – review Abstract  PDF (Eng)  similar documents
S. V. Laturkar, P. A. Mahanwar
"... in such coatings as they help in tuning the surface properties which are surface roughness and surface energy ..."
 
Vol 7, No 4 (2016) Electro chemical and photo catalytic studies of MnO2 nanoparticle from waste dry cell batteries Abstract  PDF (Eng)  similar documents
M. Mylarappa, V. Venkata Lakshmi, K. R. Vishnu Mahesh, H. P. Nagaswarupa, S. C. Prashantha, D. M. K. Siddeswara, N. Raghavendra
"... by Energy Dispersive X-ray analysis (EDAX). Surface morphology of the recovered metals was examined using ..."
 
Vol 7, No 1 (2016): Special Issue: Proceedings of the 12th Biennial International Conference “Advanced Carbon Nanostructures” (ACNS’2015) Etching of wrinkled graphene oxide films in noble gas atmosphere under UV irradiation Abstract  PDF (Eng)  similar documents
A. E. Aleksenskii, S. P. Vul’, A. T. Dideikin, V. I. Sakharov, I. T. Serenkov, M. K. Rabchinskii, V. V. Afrosimov
"... scattering spectra for medium energy ions, we have found that the UV irradiation mediated reduction process ..."
 
Vol 8, No 4 (2017) The effect of microtube formation with walls, containing Fe3O4 nanoparticles, via gas-solution interface technique by hydrolysis of the FeCl2 and FeCl3 mixed solution with gaseous ammonia Abstract  PDF (Eng)  similar documents
V. E. Gurenko, V. P. Tolstoy, L. B. Gulina
"... Electronic Microscopy (SEM), Energy-Dispersive X-ray spectroscopy (EDX), X-Ray Diffraction analysis (XRD ..."
 
Vol 10, No 6 (2019) Pt nanoparticle-functionalized RGO counter electrode for efficient dye-sensitized solar cells Abstract  PDF (Eng)  similar documents
O. V. Alexeeva, S. S. Kozlov, L. L. Larina, O. I. Shevaleevskiy
"... -efficiency DSCs and may be promising as low-cost electrodes in energy storage devices. ..."
 
Vol 14, No 1 (2023) Increase of signal to reference ratio for phase compensation in continuous-variable quantum key distribution systems Abstract  PDF (Eng)  similar documents
F. M. Goncharov, B. E. Pervushin, B. A. Nasedkin, R. K. Goncharov, D. A. Yashin, M. E. Gellert, D. V. Sulimov, P. A. Morozova, I. M. Filipov, Iu. A. Adam, V. V. Chistiakov, E. O. Samsonov, V. I. Egorov
"... for phase drift estimation and correcting signal quadratures. The ratio of the number of reference pulses ..."
 
Vol 3, No 5 (2012) Description of the dependence between the spall strength and strain rate for metals using Morse potential Abstract  similar documents
P. V. Tkachev, A. M. Krivtsov
"...    Comparison of the computer simulation of spall fracture and real experiments is presented ..."
 
Vol 13, No 2 (2022) Impact of the channel shape, back oxide and gate oxide layers on self-heating in nanoscale JL FINFET Abstract  PDF (Eng)  similar documents
A. E. Atamuratov, B. O. Jabbarova, M. M. Khalilloev, A. . Yusupov, K. . Sivasankaran, J. C. Chedjou
"... in nanoscale junctionless Fin Field Effect Transistor through numerical simulation. The role of back oxide ..."
 
Vol 7, No 3 (2016) Magnetic silica nanoparticles for the removal of Pb+2 from water Abstract  PDF (Eng)  similar documents
N. Shukla, A. A. Saxena, V. Gupta, A. S. Rawat, V. Kumar, S. Shrivastava, C. Rajagopal, P. K. Rai
"... , Transmission Electron Microscopy, Scanning Electron Microscopy with Energy-Dispersive X-ray spectroscopy ..."
 
Vol 10, No 6 (2019) A comparative study of the effect of solvents on the optical, structural and morphological properties of ZnO–GO nanocomposites synthesized by sol-gel method Abstract  PDF (Eng)  similar documents
Sudha Maurya, Sandhya Pillai
"... the formation of layered structures dispersed non-uniformly over clusters of particles. Energy Dispersive X-Ray ..."
 
Vol 10, No 2 (2019) Numerical modeling of ion exchange waveguide for the tasks of quantum computations Abstract  PDF (Eng)  similar documents
V. Gerasimenko, N. Gerasimenko, F. Kiselev, E. Samsonov, S. Kozlov
"... This paper is devoted to the simulation of a single-mode ion-exchange waveguide and the 3dB ..."
 
Vol 9, No 1 (2018) Crystal structure and Raman spectra of molecular complex {Cd(Et2dtc)}2·DABCO ·C60·(DABCO)2 at high pressure Abstract  PDF (Eng)  similar documents
A. V. Kuzmin, D. V. Konarev, S. S. Khasanov, K. P. Meletov
"... The crystal structure of the molecular donor-acceptor complex {Cd(Et2dtc)}2·DABCO ·C60·(DABCO)2 ..."
 
Vol 4, No 1 (2013) Preparation route of low-dimensional spin-peierls magnetic Cu 1-x Ni x GeO 3 in a form of nanorods Abstract  similar documents
A. V. Barulin, A. V. Grigorieva, E. A. Goodilin, E. A. Yakubovich, E. A. Pomerantseva, A. V. Semeno, S. V. Demeshev
"... that corresponds to the theoretical simulation completely. Doping with nickel leads to a rise of dopant ..."
 
Vol 3, No 1 (2012) Ultrashort pulse propagation in ferroelectric modeled by the fifth-order duffing model Abstract  similar documents
S. S. Ozhenko, E. V. Kazantseva, A. I. Maimistov
"... is demonstrated by numerical simulation. The stability of electromagnetic domain is proved regarding ..."
 
Vol 12, No 1 (2021) Photon generation in resonator with time dependent boundary conditions Abstract  PDF (Eng)  similar documents
I. S. Lobanov, A. I. Trifanov, E. S. Trifanova, I. Y. Popov, E. Fedorov, K. V. Pravdin, M. A. Moskalenko
"... We present a simulation of Casimir field generation in the 1D cavity with moving walls ..."
 
Vol 11, No 6 (2020) Window-coupled nanolayers: window shape influence on one-particle and two-particle eigenstates Abstract  PDF (Eng)  similar documents
A. S. Bagmutov, I. Y. Popov
"... In this work, we present a number of numerical results for the bound state energies of one and two ..."
 
Vol 15, No 3 (2024) Stability and transformations of domain walls in cylindrical wires Abstract  PDF (Eng)  similar documents
K. A. Chichay, I. S. Lobanov, V. M. Uzdin
"... for constructing a multidimensional energy surface, searching for minimal energy paths between locally stable ..."
 
Vol 14, No 1 (2023) Performance enhancement of triboelectric nanogenerator using iodine doped PVDF Abstract  PDF (Eng)  similar documents
R. Phogaat, V. Yepuri
"... Because of the rapid improvement of energy collecting technologies, unique mechanical devices have ..."
 
Vol 11, No 2 (2020) One-dimensional photonic crystals (Si/SiO2) for ultrathin film crystalline silicon solar cells Abstract  PDF (Eng)  similar documents
S. Saravanan, R. S. Dubey
"... photonic crystals (1DPCs) and thin film silicon solar cells. For the simulation, the plane wave method (PWM ..."
 
Vol 8, No 5 (2017) Redistribution of Mg and Ni cations in crystal lattice of conical nanotube with chrysotile structure Abstract  PDF (Eng)  similar documents
A. A. Krasilin
"... applications and intriguing formation mechanism. In this study we estimate energy effect of cylindrical ..."
 
Vol 10, No 4 (2019) Thermodynamics of H–T phase transition in MoS2 single layer Abstract  PDF (Eng)  similar documents
I. S. Popov, A. N. Enyashin
"... , the potential energy surfaces for polymorphic H- and T-MoS2 layers are mapped. While the energy barriers for H→T ..."
 
Vol 15, No 5 (2024) Effect of structural parameters, and spin-orbit interaction on the electronic properties of double quantum wire systems in the presence of external magnetic field Abstract  PDF (Eng)  similar documents
Mahmoud Ali, Mohammad Elsaid
"... and energy spectra of DQWs. Furthermore, we investigate the effect of variation of the confinement potential ..."
 
Vol 4, No 5 (2013) Surface acoustic wave ferroelectric phononic crystal tunable by electric field Abstract  similar documents
V. P. Pashchenko
"... periodic domains are derived. Finite element simulation revealed the possibility of applying ..."
 
Vol 6, No 4 (2015) Entropic sampling of star-shaped polymers with different number of arms: temperature dependencies of structural properties Abstract  PDF (Eng)  similar documents
I. A. Silanteva, P. N. Vorontsov-Velyaminov
"... . The number of arms varied, ranging from 2 to 6. Entropic sampling Monte Carlo simulation is used to obtain ..."
 
Vol 3, No 5 (2012) Method of the “imaginary boundary” in the study of the optical properties of ordered nanostructures Abstract  similar documents
A. S. Shalin, A. S. Kadochkin
"... averaging of optical constants over the volume. We show the good agreement with strict numerical simulations ..."
 
Vol 16, No 6 (2025) Mathematical modeling of industrial ammonia synthesis using nonlinear reactiondiffusion equations Abstract  PDF (Eng)  similar documents
J. Khasanov, S. Muminov, S. Iskandarov
"... . Numerical simulations were validated against industrial data from Navoiyazot facility in Uzbekistan ..."
 
Vol 7, No 2 (2016): Special Issue Spectral properties of a symmetric three-dimensional quantum dot with a pair of identical attractive δ-impurities symmetrically situated around the origin Abstract  PDF (Eng)  similar documents
S. Albeverio, S. Fassari, F. Rinaldi
"... (Green’s function). Furthermore, by studying in detail the equation determining the ground state energy ..."
 
Vol 7, No 5 (2016) Spectral properties of a two–particle hamiltonian on a d-dimensional lattice Abstract  PDF (Eng)  similar documents
M. I. Muminov, A. M. Khurramov
"... on the interaction energy of particles and the total quasi-momentum k ϵTd (Td - d-dimensional torus). Depending ..."
 
Vol 3, No 6 (2012) Interatomic interaction in bbc metals Abstract  similar documents
V. Zalizniak
"... are determined empirically by fitting to the equilibrium lattice constant, sublimation energy, vacancy formation ..."
 
Vol 9, No 2 (2018) N wells at a circle. Splitting of lower eigenvalues Abstract  PDF (Eng)  similar documents
T. F. Pankratova
"... for lower energy levels are obtained in a simple example. The ideology of our research is based ..."
 
Vol 9, No 1 (2018) Hemisorption of hydrogen on the diamond surface containing a “boron + vacancy” defect Abstract  PDF (Eng)  similar documents
O. Yu. Ananina, O. V. Ponomarev, A. I. Ryazanova, N. A. Lvova
"... a comparison of the energy characteristics of adsorption (activation energy and adsorption heat) for an ordered ..."
 
Vol 10, No 2 (2019) Numerical solution for the Schrodinger equation with potential in graphene structures Abstract  PDF (Eng)  similar documents
L. A. Nhat
"... equation and the exchange-correlation energy of the graphene structures in Grachev’s ¨ article ..."
 
Vol 11, No 5 (2020) Influence effect of an external electric field and dissipative tunneling on intracenter optical transitions in quantum molecules with D2− states Abstract  PDF (Eng)  similar documents
V. D. Krevchik, A. V. Razumov, P. V. Krevchik, M. B. Semenov, A. V. Shorokhov, А. P. Shkurinov, I. A. Ozheredov, Y. H. Wang, A. K. Malik
"... have been obtained, that describe dependence of the average binding energies of the quasistationary g ..."
 
Vol 15, No 2 (2024) Nanocomposites of aromatic poly(amide-imide) with nanotubular Mg-Fe hydrosilicate Abstract  PDF (Eng)  similar documents
S. V. Kononova, G. K. Lebedeva, V. S. Kozlov, E. N. Korytkova, T. P. Maslennikova, E. V. Kruchinina, E. N. Vlasova, N. N. Saprykina, G. N. Gubanova, M. E. Vylegzhanina, V. T. Lebedev
"... to the molecular weight of the polymer used. According to Mössbauer spectroscopy data, nanotubes introduced ..."
 
Vol 6, No 2 (2015) Time-dependent quantum circular billiard Abstract  PDF (Eng)  similar documents
D. B. Babajanov, D. U. Matrasulov, Z. A. Sobirov, S. K. Avazbaev, O. V. Karpova
"... are obtained. For all cases, the time-dependence of the quantum average energy is calculated. It is found ..."
 
Vol 11, No 6 (2020) Nonmagnetic impurities in skyrmion racetrack memory Abstract  PDF (Eng)  similar documents
M. N. Potkina, I. S. Lobanov, V. M. Uzdin
"... of skyrmions in race track memory devices has been investigated. The energy surface of the system was built ..."
 
Vol 10, No 1 (2019) Persistent current in a chain of two Holstein–Hubbard rings in the presence of Rashba spin-orbit interaction Abstract  PDF (Eng)  similar documents
A. Chatterjee, M. O. Smolkina, I. Y. Popov
"... the Hartree–Fock approximation. The equations for ground state energy, persistent current and Drude weight ..."
 
Vol 13, No 3 (2022) The Gaussian impurity effect on the electronic and magnetic properties of an electron con ned in a lateral quantum dot Abstract  PDF (Eng)  similar documents
A. Shaer, M. K. Elsaid
"... probability has been displayed to investigate the impurity position effect on the energy levels. As a second ..."
 
Vol 14, No 2 (2023) Nucleation and collapse of magnetic topological solitons in external magnetic field Abstract  PDF (Eng)  similar documents
M. N. Potkina, I. S. Lobanov, V. M. Uzdin
"... by the weaker dependence of the energy of the transition state on the external field compared to the energy ..."
 
Vol 5, No 1 (2014) Synthesis, isolation, and X-ray structural characterization of trifluoromethylated C90 fullerenes: C90(30)(CF3)18 and C90(35)(CF3)14 Abstract  PDF (Eng)  similar documents
N. B. Tamm, S. I. Troyanov
"... . Their molecular structures were determined by single crystal X-ray crystallography using synchrotron radiation ..."
 
Vol 8, No 1 (2017) On a non-separable quantum many-particle system on the half-line Abstract  PDF (Eng)  similar documents
J. Kerner, T. Mühlenbruch
"... and a binding-potential leading to a molecular-like state. We will formulate the model precisely, obtaining ..."
 
Vol 3, No 2 (2012) Non-linear optical channels of the polarizability induction in a pair of interacting molecules Abstract  similar documents
A. P. Kouzov, N. I. Egorova, M. Chrysos, F. Rachet
"... Intermolecular interactions give rise to the incremental polarizabilities in molecular ensembles ..."
 
Vol 9, No 1 (2018) Influence of admixture atom chemosorption on properties of p-electron conjugated system of open carbon nanotubes Abstract  PDF (Eng)  similar documents
O. B. Tomilin, E. V. Rodionova, E. A. Rodin, E. E. Muryumin
"... Basing on the hypothesis of the emission molecular orbitals (EMO) existence in single-walled ..."
 
Vol 6, No 6 (2015) Kicked particle dynamics in quantum graphs Abstract  PDF (Eng)  similar documents
J. Yusupov, V. Eshniyozov, O. Karpova, D. Sh. Saidov
"... . The timedependence of the average kinetic energy and the Gaussian wave packet evolution are analyzed. ..."
 
Vol 7, No 1 (2016): Special Issue: Proceedings of the 12th Biennial International Conference “Advanced Carbon Nanostructures” (ACNS’2015) Electrophysical properties of shungites at low temperatures Abstract  PDF (Eng)  similar documents
I. A. Moshnikov, V. V. Kovalevski
"... dependences for measuring electrical parameters were determined. Correlations of the π + σ plasmon energies ..."
 
Vol 6, No 2 (2015) Time-dependent quantum graph Abstract  PDF (Eng)  similar documents
D. U. Matrasulov, J. R. Yusupov, K. K. Sabirov, Z. A. Sobirov
"... -dependence of the average kinetic energy is analyzed. The space-time evolution of a Gaussian wave packet ..."
 
Vol 6, No 3 (2015) Mass transport properties of water soluble light fullerene tris-malonate — C60[= C(COOH)2]3 in aqueous solutions Abstract  PDF (Eng)  similar documents
K. N. Semenov, N. A. Charykov, O. S. Manyakina, A. V. Fedorov, V. A. Keskinov, K. V. Ivanova, O. V. Rakhimova, D. G. Letenko, V. A. Nikitin, N. A. Kulenova, Z. Akhmetvalieva, M. S. Gutenev
"... was provided. Activation energies for the diffusion and viscous current were calculated. ..."
 
Vol 15, No 1 (2024) Features of surface Bessel plasmon-polaritons in optical anisotropic hyperbolic metamaterials Abstract  PDF (Eng)  similar documents
Nguyen Van Vinh, Nguyen Pham Quynh Anh
"... of the porous material matrix on the generated plasmon-polaritons. Calculation of energy flows in the structure ..."
 
Vol 15, No 1 (2024) Extremely short optical pulses in a thin polymer film with carbon nanotubes Abstract  PDF (Eng)  similar documents
S. V. Belibikhin, N. N. Konobeeva
"... of polymers in the medium. The dependence of the spatial-energy characteristics of the optical pulse ..."
 
Vol 16, No 6 (2025) Defective aluminum nitride monolayer as electrode material for supercapacitor applications: a DFT study Abstract  PDF (Eng)  similar documents
Shamsuddin Ahmad, Md. Mahfoozul Haque, Zaheer Abbas, Md. Shahzad Khan
"... of the primitive cell through cohesive energy calculations and phonon spectrum analysis. Our findings indicate ..."
 
Vol 2, No 3 (2011) Modeling microstructural stresses in polymer-silicate nanocomposite with the influence of spherulitic structures Abstract  PDF (Eng)  similar documents
A. S. Korlyakov
"... the structure of the material. The results of computer simulation of interaction of silicate inclusions ..."
 
Vol 2, No 2 (2011) Stability of 2D triangular lattice under finite biaxial strain Abstract  PDF (Eng)  similar documents
E. A. Podolskaya, A. yu. Panchenko, A. M. Krivtsov
"... are proved by direct numerical simulation. ..."
 
Vol 5, No 1 (2014) Carbon encapsulation of magnetic metal nanoparticles: correlation between nanoscale structure of carbon matrix and electromagnetic properties Abstract  PDF (Eng)  similar documents
S. V. Kozyrev, V. I. Ivanov-Omskii, S. G. Yastrebov, T. K. Zvonareva, M. S. Chekulaev, A. V. Siklitskaya
"... conditions for mathematical simulation of physical properties of the flakes. ..."
 
Vol 6, No 2 (2015) Quantum dynamics in a kicked square billiards Abstract  PDF (Eng)  similar documents
S. Rakhmanov, D. Babajanov, O. Karpova, F. Khoshimova
"... kinetic energy and probability density as a function of spatial coordinates are computed. Different ..."
 
Vol 6, No 4 (2015) The interaction of polarization charges in freely suspended smectic-C* films Abstract  PDF (Eng)  similar documents
D. A. Murich, V. P. Romanov, S. V. Ul'yanov
"... theoretically investigated. In the free energy expression of the film, not only were the elastic energy ..."
 
Vol 11, No 1 (2020) The Lagrange variety approach applied to frustrated classical wheels Abstract  PDF (Eng)  similar documents
W. Florek, A. Marlewski, G. Kamieniarz, M. Antkowiak
"... that the lowest energy configurations are planar or collinear. The latter one, characteristic for nonfrustrated ..."
 
Vol 11, No 2 (2020) Electrochemical investigation of hydrothermally induced MnCo2S4 nanoparticles as an electrode material for high performance supercapacitors Abstract  PDF (Eng)  similar documents
M. Dakshana, S. Meyvel, M. Malarvizhi, P. Sathya
"... (initial capacitance of 95.15% after 10000 cycles). It offers a high energy density of 78.17 W h Kg−1 ..."
 
Vol 9, No 1 (2018) Optical properties of defective carbon nanotube (7,7) Abstract  PDF (Eng)  similar documents
S. A. Sozykin, V. P. Beskachko
"... in the appearance of absorption in the low-energy region and in the smearing of the absorption peaks corresponding ..."
 
Vol 11, No 4 (2020) Demagnetizing fields in chiral magnetic structures Abstract  PDF (Eng)  similar documents
M. A. Moskalenko, I. S. Lobanov, V. M. Uzdin
"... has been developed. It can be used to calculate stable states and minimum energy paths that determine ..."
 
Vol 15, No 2 (2024) Tunneling recombination in GaN/InGaN LEDs with a single quantum well Abstract  PDF (Eng)  similar documents
S. V. Bulyarsky, L. N. Vostretsova, V. A. Ribenek
"... to the center is tunneling. Comparing the model with the experiment allowed us to determine the energies ..."
 
Vol 9, No 6 (2018) Antioxidant properties of fullerenol-d Abstract  PDF (Eng)  similar documents
D. P. Tyurin, F. S. Kolmogorov, I. A. Cherepkova, N. A. Charykov, K. N. Semenov, V. A. Keskinov, N. M. Safyannikov, Yu. V. Pukharenko, D. G. Letenko, T. A. Segeda, Z. Shaimardanov
"... fullerenol-d solutions were investigated against free radicals, generated by hydrogen peroxide and molecular ..."
 
Vol 11, No 5 (2020) Computational analysis of some degree based topological indices of cubic structured tungsten trioxide [l,m,n] nanomultilayer Abstract  PDF (Eng)  similar documents
M. S. Duraisami, K. Parasuraman
"... Topological indices are numerical invariants of molecular graphs and are beneficial for predicting ..."
 
Vol 5, No 1 (2014) Sensor properties of carboxyl-modifies carbon nanotubes Abstract  PDF (Eng)  similar documents
N. P. Polikarpova, I. V. Zaporotskova, D. E. Vilkeeva, D. I. Polikarpov
"... the framework of the molecular cluster model and DFT method. ..."
 
Vol 11, No 3 (2020) M-polynomial and related degree-based topological indices of the third type of hex-derived network Abstract  PDF (Eng)  similar documents
Shibsankar Das, Shikha Rai
"... with the various physical properties, biological activities and chemical reactivities of molecular graphs ..."
 
Vol 9, No 6 (2018) Resistance of UV-perforated reduced graphene oxide on polystyrene surface Abstract  PDF (Eng)  similar documents
N. N. Nikolaeva, A. N. Bugrov, T. D. Anan’eva, A. T. Dideikin, M. K. Rabchinskii, А. N. Ionov
"... based on polystyrene with molecular weights of 9,000 Da and 45,000 Da were synthesized to compare ..."
 
Vol 10, No 1 (2019) Hund’s rule in open-shell states of two-electron systems: From free through confined and screened atoms, to quantum dots Abstract  PDF (Eng)  similar documents
Jacob Katriel, H. E. Montgomery, Jr., A. Sarsa, E. Buend´ıa, F. J. Galvez, K. D. Sen
"... , and the contribution of the interparticle repulsion energy to the singlet-triplet splitting is examined. One feature ..."
 
Vol 16, No 5 (2025) Clinoptilolite zeolite mechanochemically modified with polyethylene glycol for the preparation of oil sorbents Abstract  PDF (Eng)  similar documents
O. N. Dabizha
"... , and oil adsorption properties was investigated. The doses of the applied mechanical energy were 2.16 and 5 ..."
 
Vol 16, No 6 (2025) Defective Aluminum Nitride Monolayer as Electrode Material for Supercapacitor Applications: A DFT Study Abstract  similar documents
Shamsuddin Ahmad, Md. Mahfoozul Haque, Zaheer Abbas, Md. Shahzad Khan
"... of the primitive cell through cohesive energy calculations and phonon spectrum analysis. Our findings indicate ..."
 
Vol 16, No 6 (2025) Defective Aluminum Nitride Monolayer as Electrode Material for Supercapacitor Applications: A DFT Study Abstract  similar documents
Shamsuddin Ahmad, Md. Mahfoozul Haque, Zaheer Abbas, Md. Shahzad Khan
"... of the primitive cell through cohesive energy calculations and phonon spectrum analysis. Our findings indicate ..."
 
Vol 5, No 4 (2014) In Memoriam: Alexander Ivanovskii, innovative researcher and science manager in computational materials science of advanced inorganic materials Abstract  PDF (Eng)  similar documents
V. V. Bannikov, T. A. Denisova, A. N. Enyashin, N. I. Medvedeva, I. R. Shein, D. V. Suetin, V. P. Zhukov, M. V. Kuznetsov
"... in the electronic structure simulation and computational modeling to predict the properties of solids, which formed ..."
 
Vol 16, No 4 (2025) Ionic conductivity in nanopipettes: experiment and model Abstract  PDF (Eng)  similar documents
S. Yu. Lukashenko, O. M. Gorbenko, M. L. Felshtyn, I. D. Sapozhnikov, D. A. Kirilenko, S. V. Pichakhchi, M. V. Zhukov, A. O. Golubok
"... . The simulations also reveal characteristic spatial distributions of ionic flow in the aperture area ..."
 
Vol 16, No 4 (2025) Modeling of graphitization in CVD diamond under the action of laser radiation Abstract  PDF (Eng)  similar documents
D. N. Bukharov, T. A. Khudaiberganov, A. O. Kucherik, S. M. Arakelian
"... grid. The finite-difference equations were solved using the explicit Euler scheme. Numerical simulation ..."
 
Vol 3, No 2 (2012) Modelling of interaction between the Atomic force microscope probe with a polymer surface with account of van der Waals forces and surface tension Abstract  similar documents
O. K. Garishin
"... The paper presents results of computer simulation of the probe contact mode atomic force ..."
 
Vol 8, No 2 (2017) Stability of Grover’s algorithm in respect to perturbations in quantum circuit Abstract  PDF (Eng)  similar documents
K. V. Gubaidullina, S. A. Chivilikhin
"... on it results. This work presents the results of the simulation of Grover’s algorithm, research of its stability ..."
 
Vol 9, No 1 (2018) Electrical properties of thermally reduced graphene oxide Abstract  PDF (Eng)  similar documents
G. S. Bocharov, A. V. Eletskii, V. P. Mel’nikov
"... fragments. A model simulation performed on the basis of the percolation mechanism of RGO conduction agrees ..."
 
Vol 15, No 2 (2024) A plasmonic turn-on insulin sensing platform on centimeter scale nanostructure arrays Abstract  PDF (Eng)  similar documents
Thanh Thi Van Nguyen
"... finite-difference time-domain simulation was used to observe the plasmonic interaction of the sensing ..."
 
Vol 14, No 1 (2023) A study of confined Stark effect, hydrostatic pressure and temperature on nonlinear optical properties in 1D GaxAl1−xAs/GaAs/GaxAl1−xAs quantum dots under a finite square well potential Abstract  PDF (Eng)  similar documents
R. Chaurasiya, S. Dahiya, R. Sharma
"... simulation software such as COMSOL Multi-Physics and Matlab have been carried out in the presence of electric ..."
 
Vol 13, No 1 (2022) Near-field optical patterns of dielectric nanoparticles deposited on a metallic surface Abstract  PDF (Eng)  similar documents
R. K. Rai, R. S. Botet
"... through numerical simulations. Resonances can appear in silver nanoplates onto which nanoparticles ..."
 
Vol 13, No 2 (2022) Impact of distributed Bragg’s reflectors and nanogratings in thin film silicon solar cells Abstract  PDF (Eng)  similar documents
R. S. Dubey, S. . Saravanan
"... using photonic ray theories with numerical simulations. This result indicates the combination of DBR ..."
 
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