Molecular dynamics simulations on the dislocation interactions in magnesium

被引：10

作者：

Li, Zikun ^{[1
]}

Tian, Xiaobao ^{[1
]}

Tang, Jing ^{[1
]}

Wang, Qingyuan ^{[1
]}

Jiang, Wentao ^{[1
]}

Fan, Haidong ^{[1
]}

机构：

[1] Sichuan Univ, Dept Mech, Chengdu 610065, Peoples R China

来源：

COMPUTATIONAL MATERIALS SCIENCE | 2021年 / 197卷

基金：

中国国家自然科学基金;

关键词：

Magnesium; Dislocation interactions; Molecular dynamics; C PLUS; CORE STRUCTURES; SLIP; DEFORMATION; COMPRESSION; TEMPERATURE; PLASTICITY; DUCTILITY; MOBILITY; SIZE;

D O I：

10.1016/j.commatsci.2021.110597

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Magnesium is a lightweight structural metal and has important applications. However, the dislocation plasticity of magnesium was not well studied, especially the pyramidal dislocations. In this paper, molecular dynamics (MD) simulations were performed to systematically investigate the dislocation interactions, i.e. between < c + a > dislocations, between < a > dislocations, between < a > and < c + a > dislocations, as well as between < a > and < c > dislocations. Various new interaction products were observed and analyzed. The current work provides new insights into the dislocation plasticity for understanding the mechanical property of magnesium and its alloys.

引用

页数：14

共 50 条

[31] Molecular Dynamics Simulation of Dislocation- γ -precipitate Interactions in γ′-precipitates
Takahashi, Akiyuki
Terada, Yutaro
FRACTURE AND STRENGTH OF SOLIDS VII, PTS 1 AND 2, 2011, 462-463 : 425 - 430
[32] Molecular dynamics simulations of particle-surface interactions
Loughborough Univ, Leicestershire, United Kingdom
Vacuum, 8-10 (1195-1199):
[33] Molecular Dynamics Simulations with Long-Range Interactions
Roth, Johannes
Beck, Philipp
Brommer, Peter
Chatzopoulos, Andreas
Gaehler, Franz
Hocker, Stephen
Schmauder, Siegfried
Trebin, Hans-Rainer
HIGH PERFORMANCE COMPUTING IN SCIENCE AND ENGINEERING'13: TRANSACTIONS OF THE HIGH PERFORMANCE COMPUTING CENTER, STUTTGART (HLRS) 2013, 2013, : 141 - 154
[34] Molecular Dynamics Simulations for Plasma-Surface Interactions
Neyts, Erik C.
Brault, Pascal
PLASMA PROCESSES AND POLYMERS, 2017, 14 (1-2)
[35] Effective interactions in molecular dynamics simulations of lysozyme solutions
Pellicane, Giuseppe
Sarkisov, Lev
EUROPEAN PHYSICAL JOURNAL B, 2014, 87 (09):
[36] Molecular dynamics simulations of peptide-surface interactions
Raut, VP
Agashe, MA
Stuart, SJ
Latour, RA
LANGMUIR, 2005, 21 (04) : 1629 - 1639
[37] Computational Virology: Molecular Simulations of Virus Dynamics and Interactions
Jefferys, Elizabeth E.
Sansom, Mark S. P.
PHYSICAL VIROLOGY: VIRUS STRUCTURE AND MECHANICS, 2019, 1215 : 201 - 233
[38] Molecular Dynamics Simulations of Membrane-Sugar Interactions
Kapla, Jon
Wohlert, Jakob
Stevensson, Baltzar
Engstrom, Olof
Widmalm, Goran
Maliniak, Arnold
JOURNAL OF PHYSICAL CHEMISTRY B, 2013, 117 (22): : 6667 - 6673
[39] Hydrophobic interactions in molecular dynamics simulations of surfactants and proteins
Alaimo, MH
Kumosinski, TF
BIOPHYSICAL JOURNAL, 1996, 70 (02) : MP138 - MP138
[40] Studying Interactions by Molecular Dynamics Simulations at High Concentration
Fogolari, Federico
Corazza, Alessandra
Toppo, Stefano
Tosatto, Silvio C. E.
Viglino, Paolo
Ursini, Fulvio
Esposito, Gennaro
JOURNAL OF BIOMEDICINE AND BIOTECHNOLOGY, 2012,

← 1 2 3 4 5 →