Computational Materials Scienceжурнал

Статьи, опубликованные в журнале

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  • 2024 Elastic constants of graphane, graphyne, and graphdiyne
  • Polyakova P.V., Murzaev R.T., Lisovenko D.S., Baimova J.A.
  • в журнале Computational Materials Science, издательство Elsevier BV (Netherlands), том 244 DOI
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  • 2024 First principle study of the CuCrTiS4: Spin-glass state and electronic transport
  • Argunov Efim V., Kartsev Alexey I.
  • в журнале Computational Materials Science, издательство Elsevier BV (Netherlands), том 244 DOI
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  • 2024 Machine learning-based evaluation of functional characteristics of Li-rich layered oxide cathode materials using the data of XPS and XRD spectra
  • Kireeva Natalia, Pervov Vladislav S., Tsivadze Aslan Yu
  • в журнале Computational Materials Science, издательство Elsevier BV (Netherlands), том 231, с. 112591 DOI
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  • 2024 Neural network molecular dynamics study of LiGe2(PO4)3: Investigation of structure
  • Balyakin I.A., Vlasov M.I., Pershina S.V., Tsymbarenko D.M., Rempel A.A.
  • в журнале Computational Materials Science, издательство Elsevier BV (Netherlands), том 239 DOI
• • 2023 MULTICOMP package for multilevel simulation of polymer nanocomposites
  • Akhukov M.A., Chorkov V.A., Gavrilov A.A., Guseva D.V., Khalatur P.G., Khokhlov A.R., Kniznik A.A., Komarov P.V., Okun M.V., Potapkin B.V., Rudyak V.Yu, Shirabaykin D.B., Skomorokhov A.S., Trepalin S.V.
  • в журнале Computational Materials Science, издательство Elsevier BV (Netherlands), том 216 DOI
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  • 2023 N-body potential for simulating lattice defects and diffusion in copper
  • Kartamyshev A.I., Lipnitskii A.G., Maksimenko V.N., Vyazmin A.V., Nelasov I.V., Poletaev D.O.
  • в журнале Computational Materials Science, издательство Elsevier BV (Netherlands), том 228, с. 112284 DOI
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  • 2022 Exploring the stable structures and photovoltaic properties of an ideal pseudo-binary alloy: Indium gallium phosphide
  • Xue Pengyan, Wang Yanting, Tikhonov Evgenii
  • в журнале Computational Materials Science, издательство Elsevier BV (Netherlands), том 209, с. 111351 DOI
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  • 2022 Shear stress relaxation through the motion of edge dislocations in Cu and Cu–Ni solid solution: a molecular dynamics and discrete dislocation study
  • Bryukhanov I.A., Emelyanov V.A.
  • в журнале Computational Materials Science, издательство Elsevier BV (Netherlands), том 201, с. 110885 DOI
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  • 2022 The N-body interatomic potential for molecular dynamics simulations of diffusion in tungsten
  • Maksimenko V.N., Lipnitskii A.G., Kartamyshev A.I., Poletaev D.O., Kolobov Yu R.
  • в журнале Computational Materials Science, издательство Elsevier BV (Netherlands), том 202, с. 110962 DOI
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  • 2021 Application of a large-scale molecular dynamics approach to modelling the deposition of TiO2 thin films
  • Grigoriev F.V., Sulimov V.B., Tikhonravov A.V.
  • в журнале Computational Materials Science, издательство Elsevier BV (Netherlands), том 188, с. 110202 DOI
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  • 2021 Efficient magnetic superstructure optimization with ΘΦ
  • Plekhanov Evgeny A., Tchougréeff Andrei L.
  • в журнале Computational Materials Science, издательство Elsevier BV (Netherlands), том 188 DOI
• • 2021 First-Principles investigation of Pressure-Induced structural transformations of barium borates in the BaO-B2O3-BaF2 system in the range of 0–10 GPa
  • Sagatov Nursultan E., Bekker Tatyana B., Podborodnikov Ivan V., Litasov Konstantin D.
  • в журнале Computational Materials Science, издательство Elsevier BV (Netherlands), том 199 DOI
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  • 2021 Improving the mechanical properties of HfC-based ceramics by exploring composition space of Hf1-Ta C and HfC1-N
  • Peng Junhui, Tikhonov Evgenii
  • в журнале Computational Materials Science, издательство Elsevier BV (Netherlands), том 195, с. 110464 DOI
• • 2021 Inpainting micro-CT images of fibrous materials using deep learning
  • Karamov R., Lomov S.V., Sergeichev I., Swolfs Y., Akhatov I.
  • в журнале Computational Materials Science, издательство Elsevier BV (Netherlands), том 197 DOI
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  • 2021 Piezoelectric properties of ferroelectric perovskite superlattices with polar discontinuity
  • Lebedev A.I.
  • в журнале Computational Materials Science, издательство Elsevier BV (Netherlands), том 188, с. 110113-1-110113-9 DOI
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  • 2021 Prediction of the diffusion characteristics of the V-Cr system by molecular dynamics based on N-body interatomic potentials
  • Maksimenko V.N., Lipnitskii A.G., Saveliev V.N., Nelasov I.V., Kartamyshev A.I.
  • в журнале Computational Materials Science, издательство Elsevier BV (Netherlands), том 198 DOI
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  • 2020 Bimetallic Ag–Cu nanoparticles interaction with lipid and lipopolysaccharide membranes
  • Tsukanov A.A., Pervikov A.V., Lozhkomoev A.S.
  • в журнале Computational Materials Science, издательство Elsevier BV (Netherlands), том 173, с. 109396-109396
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  • 2020 Stability, elastic properties and deformation behavior of graphene-based diamond-like phases
  • Rysaeva L.Kh, Lisovenko D.S., Gorodtsov V.A., Baimova J.A.
  • в журнале Computational Materials Science, издательство Elsevier BV (Netherlands), том 172, с. 109355 DOI
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  • 2019 Ab initio study of ti-c precipitates in hcp titanium: formation energies, elastic moduli and theoretical diffraction patterns
  • AKSYONOV D.A., LIPNITSKII A.G., KOLOBOV Y.R.
  • в журнале Computational Materials Science, издательство Elsevier BV (Netherlands), том 65, с. 434-441
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  • 2019 Development of an interatomic potential for titanium with high predictive accuracy of thermal properties up to melting point
  • Kartamyshev A.I., Lipnitskii A.G., Saveliev V.N., Maksimenko V.N., Nelasov I.V., Poletaev D.O.
  • в журнале Computational Materials Science, издательство Elsevier BV (Netherlands), том 160, с. 30-41 DOI
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  • 2019 Phase-field simulation of non-isothermal phase separation in rapidly quenched Co-Cu melts
  • Krivilyov M., Aflyatunova D., Lebedev V., Galenko P.K.
  • в журнале Computational Materials Science, издательство Elsevier BV (Netherlands), том 158, с. 289-295 DOI
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  • 2019 Solid solutions of monazites and xenotimes of lanthanides and plutonium: Atomistic model of crystal structures, point defects and mixing properties
  • Eremin Nickolay N., Marchenko Ekaterina I., Petrov Vladimir G., Mitrofanov Artem A., Ulanova Amina S.
  • в журнале Computational Materials Science, издательство Elsevier BV (Netherlands), том 157, с. 43-50 DOI
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  • 2018 Efficient energy basin finding method for atomistic kinetic Monte Carlo models
  • Dokukin S.A., Kolesnikov S.V., Saletsky A.M.
  • в журнале Computational Materials Science, издательство Elsevier BV (Netherlands), том 155, с. 209-215 DOI
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  • 2018 Thermal properties of fcc titanium and aluminum thin films
  • Dolgusheva E.B.
  • в журнале Computational Materials Science, издательство Elsevier BV (Netherlands), том 155, с. 55-62 DOI
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  • 2016 A kinetic approach to modeling general-texture evolution in two-dimensional polycrystalline grain growth
  • Yegorov I., Emelianenko M.
  • в журнале Computational Materials Science, издательство Elsevier BV (Netherlands), том 125, с. 224-242 DOI