HYBRID MOLECULAR DYNAMICS AND MONTE CARLO MODELING TO STUDY PHYSICAL-MECHANICAL PROPERTIES OF HIGH-ENTROPY ALLOY CoCrFeMnNi

被引：0
|
作者：
Korchuganov, A. V. [1 ]
机构：
[1] Russian Acad Sci, Siberian Branch, Inst Strength Phys & Mat Sci, Akad Skii 2-4, Tomsk 634021, Russia
来源：
MATHEMATICA MONTISNIGRI | 2018年 / 42卷
基金：
俄罗斯科学基金会;
关键词：
computational modeling; molecular dynamics; Monte Carlo method; crystalline structure; mechanical properties; high-entropy alloys;
D O I：
暂无
中图分类号：
O1 [数学];
学科分类号：
0701 ; 070101 ;
摘要：
Structural and physical-mechanical properties of CoCrFeMnNi high-entropy alloys of different stoichiometric composition are investigated on the base of computer modeling. An approach based on the combined use of molecular dynamics and Monte Carlo methods was applied. This made it possible to obtain the thermodynamically equilibrium configurations of CoCrFeMnNi alloys at given fractions of chemical elements, temperature and pressure. Based on the obtained data set, the influence of the stoichiometric composition of CoCrFeMnNi high-entropy alloy on its structural characteristics (lattice parameter, radial distribution functions), phase stability (energy of different phases, configuration entropy) and physical-mechanical properties (Young's modulus and elastic limit) was investigated.
引用
收藏
页码：65 / 73
页数：9
相关论文
共 50 条
  • [31] Tuning the Microstructure and Mechanical Properties of Cold Sprayed Equiatomic CoCrFeMnNi High-Entropy Alloy Coating Layer
    Ji-Eun Ahn
    Young-Kyun Kim
    Sang-Hoon Yoon
    Kee-Ahn Lee
    Metals and Materials International, 2021, 27 : 2406 - 2415
  • [32] Composition Dependence of Phase Stability, Deformation Mechanisms, and Mechanical Properties of the CoCrFeMnNi High-Entropy Alloy System
    Tasan, C. C.
    Deng, Y.
    Pradeep, K. G.
    Yao, M. J.
    Springer, H.
    Raabe, D.
    JOM, 2014, 66 (10) : 1993 - 2001
  • [33] Tuning the Microstructure and Mechanical Properties of Cold Sprayed Equiatomic CoCrFeMnNi High-Entropy Alloy Coating Layer
    Ahn, Ji-Eun
    Kim, Young-Kyun
    Yoon, Sang-Hoon
    Lee, Kee-Ahn
    METALS AND MATERIALS INTERNATIONAL, 2021, 27 (07) : 2406 - 2415
  • [34] Molecular dynamics simulations of tensile properties for FeNiCrCoCu high-entropy alloy
    Wang, Qian
    Guo, Junhong
    Chen, Weiqiu
    Tian, Yuan
    MATERIALS TODAY COMMUNICATIONS, 2024, 38
  • [35] Microstructure and Mechanical Properties of As-cast CoCrFeMnNi High Entropy Alloy
    Kang, Minju
    Won, Jong Woo
    Lim, Ka Ram
    Park, Sang Hyeop
    Seo, Seong Moon
    Na, Young Sang
    KOREAN JOURNAL OF METALS AND MATERIALS, 2017, 55 (10): : 732 - 738
  • [36] Molecular Dynamics Simulation for Nanoindentation on Nano-Laminated Dual-Phase CoCrFeMnNi High-Entropy Alloy
    Liu, Peiwen
    Li, Haitao
    Song, Shangwei
    Peng, Xianghe
    JOM, 2023, 75 (12) : 5549 - 5558
  • [37] Microstructure and mechanical properties of cold drawing CoCrFeMnNi high entropy alloy
    Ma, Xiaoguang
    Chen, Jian
    Wang, Xianhui
    Xu, Yanjin
    Xue, Yujie
    JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 795 : 45 - 53
  • [38] Mechanical and Corrosion Properties of Additively Manufactured CoCrFeMnNi High Entropy Alloy
    Melia, Michael A.
    Carroll, Jay D.
    Whetten, Shaun R.
    Esmaeely, Saba N.
    Locke , Jenifer
    White, Emma
    Anderson, Iver
    Chandross, Michael
    Michael, Joseph R.
    Argibay, Nicolas
    Schindelholz, Eric J.
    Kustas, Andrew B.
    ADDITIVE MANUFACTURING, 2019, 29
  • [39] Effect of nitrogen on microstructure and mechanical properties of the CoCrFeMnNi high-entropy alloy after cold rolling and subsequent annealing
    Semenyuk, A.
    Klimova, M.
    Shaysultanov, D.
    Salishchev, G.
    Zherebtsov, S.
    Stepanov, N.
    JOURNAL OF ALLOYS AND COMPOUNDS, 2021, 888
  • [40] Tungsten Matrix Composite Reinforced with CoCrFeMnNi High-Entropy Alloy: Impact of Processing Routes on Microstructure and Mechanical Properties
    Satyanarayana, P. V.
    Sokkalingam, R.
    Jena, P. K.
    Sivaprasad, K.
    Prashanth, K. G.
    METALS, 2019, 9 (09)
12345