Effect of solute segregation on diffusion induced grain boundary migration studied by molecular dynamics simulations

Computational Materials Science ◽

10.1016/j.commatsci.2020.109685 ◽

2020 ◽

Vol 179 ◽

pp. 109685 ◽

Author(s):

Navjot Kaur ◽

Chuang Deng ◽

Olanrewaju A. Ojo

Keyword(s):

Molecular Dynamics ◽

Grain Boundary ◽

Molecular Dynamics Simulations ◽

Boundary Migration ◽

Solute Segregation ◽

Grain Boundary Migration ◽

Dynamics Simulations

Download Full-text

Molecular dynamics simulations of grain boundary migration during recrystallization employing tilt and twist dislocation boundaries to provide the driving pressure

Modelling and Simulation in Materials Science and Engineering ◽

10.1088/0965-0393/16/6/065002 ◽

2008 ◽

Vol 16 (6) ◽

pp. 065002 ◽

Author(s):

R B N Godiksen ◽

S Schmidt ◽

D Juul Jensen

Keyword(s):

Molecular Dynamics ◽

Grain Boundary ◽

Molecular Dynamics Simulations ◽

Boundary Migration ◽

Driving Pressure ◽

Grain Boundary Migration ◽

Dynamics Simulations

Download Full-text

Phase-field crystal and molecular dynamics simulations of grain boundary migration and dislocation behavior

The Proceedings of The Computational Mechanics Conference ◽

10.1299/jsmecmd.2017.30.163 ◽

2017 ◽

Vol 2017.30 (0) ◽

pp. 163

Author(s):

Akinori YAMANAKA ◽

Peter W. VOORHEES

Keyword(s):

Molecular Dynamics ◽

Grain Boundary ◽

Molecular Dynamics Simulations ◽

Phase Field ◽

Boundary Migration ◽

Grain Boundary Migration ◽

Dislocation Behavior ◽

Dynamics Simulations ◽

Phase Field Crystal

Download Full-text

Separating grain boundary migration mechanisms in molecular dynamics simulations

Acta Materialia ◽

10.1016/j.actamat.2015.10.021 ◽

2016 ◽

Vol 103 ◽

pp. 424-432 ◽

Author(s):

Felix Ulomek ◽

Volker Mohles

Keyword(s):

Molecular Dynamics ◽

Grain Boundary ◽

Molecular Dynamics Simulations ◽

Boundary Migration ◽

Grain Boundary Migration ◽

Dynamics Simulations

Download Full-text

Curvature driven grain boundary migration in aluminum: molecular dynamics simulations

Acta Materialia ◽

10.1016/j.actamat.2004.09.004 ◽

2005 ◽

Vol 53 (1) ◽

pp. 79-86 ◽

Author(s):

H. Zhang ◽

M. Upmanyu ◽

D.J. Srolovitz

Keyword(s):

Molecular Dynamics ◽

Grain Boundary ◽

Molecular Dynamics Simulations ◽

Boundary Migration ◽

Grain Boundary Migration ◽

Dynamics Simulations ◽

Curvature Driven

Download Full-text

On the atomistic mechanisms of grain boundary migration in [001] twist boundaries: Molecular dynamics simulations

Computational Materials Science ◽

10.1016/j.commatsci.2010.03.029 ◽

2010 ◽

Vol 48 (4) ◽

pp. 773-782 ◽

Author(s):

Xinan Yan ◽

Hao Zhang

Keyword(s):

Molecular Dynamics ◽

Grain Boundary ◽

Molecular Dynamics Simulations ◽

Boundary Migration ◽

Grain Boundary Migration ◽

Dynamics Simulations ◽

Twist Boundaries

Download Full-text

Quantifying uncertainty in molecular dynamics simulations of grain boundary migration

Molecular Simulation ◽

10.1080/08927022.2014.935774 ◽

2014 ◽

Vol 41 (13) ◽

pp. 1069-1073 ◽

Author(s):

C.P. Race

Keyword(s):

Molecular Dynamics ◽

Grain Boundary ◽

Molecular Dynamics Simulations ◽

Boundary Migration ◽

Grain Boundary Migration ◽

Dynamics Simulations ◽

Quantifying Uncertainty

Download Full-text

Testing thermal gradient driving force for grain boundary migration using molecular dynamics simulations

Acta Materialia ◽

10.1016/j.actamat.2014.11.019 ◽

2015 ◽

Vol 85 ◽

pp. 95-106 ◽

Author(s):

Xian-Ming Bai ◽

Yongfeng Zhang ◽

Michael R. Tonks

Keyword(s):

Molecular Dynamics ◽

Grain Boundary ◽

Molecular Dynamics Simulations ◽

Thermal Gradient ◽

Driving Force ◽

Boundary Migration ◽

Grain Boundary Migration ◽

Dynamics Simulations

Download Full-text

Relation between grain growth and grain-boundary diffusion in a pure material by molecular dynamics simulations

Acta Materialia ◽

10.1016/j.actamat.2006.05.004 ◽

2006 ◽

Vol 54 (15) ◽

pp. 4053-4061 ◽

Author(s):

V YAMAKOV ◽

D MOLDOVAN ◽

K RASTOGI ◽

D WOLF

Keyword(s):

Molecular Dynamics ◽

Grain Boundary ◽

Molecular Dynamics Simulations ◽

Grain Growth ◽

Boundary Diffusion ◽

Grain Boundary Diffusion ◽

Pure Material ◽

Dynamics Simulations

Download Full-text

Linear Alignments of Dislocation Loops Near a H 2+ Irradiated Tungsten Grain Boundary: In-Situ TEM Studies and Molecular Dynamics Simulations

SSRN Electronic Journal ◽

10.2139/ssrn.3996174 ◽

2021 ◽

Author(s):

Xinyi Liu ◽

Jiechao Cui ◽

Yipeng Li ◽

Guang Ran ◽

Yifan Ding ◽

...

Keyword(s):

Molecular Dynamics ◽

Grain Boundary ◽

Molecular Dynamics Simulations ◽

In Situ Tem ◽

Dislocation Loops ◽

Dynamics Simulations

Download Full-text

Transitional grain boundary structures and the influence on thermal, mechanical and energy properties from molecular dynamics simulations

Acta Materialia ◽

10.1016/j.actamat.2016.01.054 ◽

2016 ◽

Vol 108 ◽

pp. 355-366 ◽

Author(s):

N.J. Burbery ◽

R. Das ◽

W.G. Ferguson

Keyword(s):

Molecular Dynamics ◽

Grain Boundary ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations

Download Full-text