The effect of uniaxial stress on hydrogen diffusion in α-Fe: A molecular dynamics study

被引：0
|
作者：
Du, Zhiqin [1 ]
Heng, Zhonghao [1 ,2 ]
Jin, Chen [3 ]
Zhao, Shou [3 ]
Shen, Jianghua [1 ,4 ]
机构：
[1] Northwestern Polytech Univ, Sch Aeronaut, Xian 710065, Peoples R China
[2] Qinghai Univ, Sch Mech Engn, Xining, Qinghai, Peoples R China
[3] Qinghai Yanhu Telimei Co Ltd, Xining, Qinghai, Peoples R China
[4] Northwestern Polytech Univ, Shaanxi Key Lab Impact Dynam & Its Engn Applicat, Xian 710065, Peoples R China
来源：
MATERIALS LETTERS | 2025年 / 379卷
关键词：
alpha-Fe; Hydrogen diffusion; Uniaxial stress; Molecular dynamics;
D O I：
10.1016/j.matlet.2024.137735
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Hydrogen diffusion in metals is of great significance for hydrogen embrittlement and requires comprehension on the atomic scale. In this study, molecular dynamics simulations are conducted to investigate hydrogen diffusion of atoms in alpha-Fe under different stresses. The increase in uniaxial tensile and compressive stress tends to reduce the diffusion coefficient, suppress the diffusion of hydrogen atoms in alpha-Fe, and lead to differences in diffusion behavior in different directions. The change in the migration barrier explains the differences in hydrogen atom diffusion behavior under different unidirectional stresses.
引用
收藏
页数：3
相关论文
共 50 条
  • [31] Molecular Dynamics Study of the Interface Effect on the Fracture of a Heterostructure under Uniaxial Tension
    I. F. Golovnev
    E. I. Golovneva
    V. M. Fomin
    Physical Mesomechanics, 2021, 24 : 14 - 19
  • [32] \Molecular Dynamics Study of the Interface Effect on the Fracture of a Heterostructure under Uniaxial Tension
    Golovnev, I. F.
    Golovneva, E., I
    Fomin, V. M.
    PHYSICAL MESOMECHANICS, 2021, 24 (01) : 14 - 19
  • [33] Molecular Dynamics Simulations of Hydrogen Diffusion in Aluminum
    Zhou, X. W.
    El Gabaly, F.
    Stavila, V.
    Allendorf, M. D.
    JOURNAL OF PHYSICAL CHEMISTRY C, 2016, 120 (14): : 7500 - 7509
  • [34] Hydrogen diffusion in quartz: A molecular dynamics investigation
    Bongiorno, A
    Colombo, L
    MATERIALS THEORY, SIMULATIONS, AND PARALLEL ALGORITHMS, 1996, 408 : 515 - 520
  • [35] Diffusion of hydrogen in graphite: a molecular dynamics simulation
    Herrero, Carlos P.
    Ramirez, Rafael
    JOURNAL OF PHYSICS D-APPLIED PHYSICS, 2010, 43 (25)
  • [36] Structural stabilities and diffusion of small Fe clusters on Fe (110) surface: A molecular dynamics study
    Wang, Changqing
    Zhang, Yongsheng
    Jia, Yu
    APPLIED SURFACE SCIENCE, 2011, 257 (22) : 9329 - 9334
  • [37] Molecular dynamics studies of the grain-size dependent hydrogen diffusion coefficient of nanograined Fe
    Zhou, Xiao-Ye
    Zhu, Ji-Hua
    Wu, Hong-Hui
    INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2021, 46 (07) : 5842 - 5851
  • [38] Molecular dynamics simulation of effect of hydrogen atoms on crack propagation behavior of α-Fe
    Song, H. Y.
    Zhang, L.
    Xiao, M. X.
    PHYSICS LETTERS A, 2016, 380 (48) : 4049 - 4056
  • [39] A molecular dynamics study of hydrogen-atom diffusion in fcc-metals
    N. A. Kulabukhova
    G. M. Poletaev
    M. D. Starostenkov
    V. V. Kulagina
    A. I. Potekaev
    Russian Physics Journal, 2012, 54 : 1394 - 1400
  • [40] Hydrogen diffusion in crystalline silicon: A tight-binding molecular dynamics study
    Panzarini, G.
    Colombo, L.
    PHASE TRANSITIONS, 1994, 52 (2-3) : 137 - 149
12345