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Study of solvation of substituted propylbenzene in ethanol-water solutions under subcritical conditions by molecular dynamics
Journal of Supercritical Fluids. 2020. Vol. 155. P. 104649–0.
Язык:
английский
Ключевые слова: Molecular dynamic simulations
Ahmad Ostovari Moghaddam, Fereidonnejad R., Mikhailov D. и др., Materials Letters 2024 Vol. 359 Article 135968
Interatomic potentials based on the second nearest-neighbor modified embedded-atom method (2NN-MEAM) have been developed for Al-Mn, Ti-Mn and Cu-Mn binary alloys. The potentials were utilized to determine structural, mechanical and thermodynamic properties of intermetallic phases, which were in good agreement with the experimental data or first-principles calculations. The potentials can be utilized to study different properties ...
Добавлено: 23 января 2025 г.
A. Ostovari Moghaddam, Fereidonnejad R., Mikhailov D. V. и др., Physical Mesomechanics 2024 Vol. 27 No. 4 P. 436–446
Deformation mechanisms of the Al3(TiTaZrNbHf) high entropy intermetallic compound under tensile loading were studied using molecular dynamic simulations. To this end, the site occupancy of the five constituent atoms that form the high entropy sublattice of Al3(TiTaZrNbHf) was first determined by simulating the near-equilibrium melting/crystallization process. It is shown that nuclei of intrinsic stacking faults ...
Добавлено: 12 января 2025 г.
Одинцова Е. Г., Journal of Supercritical Fluids 2017 Vol. 120 P. 59–64
Добавлено: 29 августа 2024 г.
Одинцова Е. Г., Journal of Supercritical Fluids 2017 Vol. 124 P. 50–56
Добавлено: 29 августа 2024 г.
Одинцова Е. Г., Journal of Supercritical Fluids 2018 Vol. 139 P. 19–29
Добавлено: 29 августа 2024 г.
Trosheva K. S., Sorokina S. A., А.А. Efimova и др., Biochimica et Biophysica Acta - Biomembranes 2021 Vol. 1863 No. 12 Article 183761
Добавлено: 5 октября 2022 г.