Molecular dynamics simulations of nano-indentation and wear of the γTi-Al alloy

2015 ◽  
Vol 110 ◽  
pp. 247-253 ◽  
Author(s):  
Shuai Xu ◽  
Qiang Wan ◽  
Zhendong Sha ◽  
Zishun Liu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Al Alloy ◽  
Nano Indentation ◽  
Dynamics Simulations

Local strain effect on the thermal transport of graphene nanoribbons: a molecular dynamics investigation

2015 ◽  
Vol 17 (18) ◽  
pp. 12031-12040 ◽  
Author(s):  
Lanqing Xu ◽  
Xiaoman Zhang ◽  
Yongping Zheng
Keyword(s):  
Heat Transfer ◽  
Molecular Dynamics ◽  
Quantum Dot ◽  
Molecular Dynamics Simulations ◽  
Basal Plane ◽  
Graphene Nanoribbons ◽  
Local Strain ◽  
Strain Effect ◽  
Nano Indentation ◽  
Dynamics Simulations

Local strain created by nano-indentation or molecular adsorption can lead to a spatially confined quantum dot on the graphene sheet. How can the tip–surface interaction affect the heat transfer across the graphene basal plane? In this work molecular dynamics simulations are carried out to investigate this issue.

Dislocation Mobilities in NiAl From Molecular Dynamics Simulations

1990 ◽  
Vol 209 ◽  
Author(s):  
A. Moncevicz ◽  
P. C. Clapp ◽  
J. A. Rifkin
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Dislocation Core ◽  
Alloy System ◽  
Shear Velocity ◽  
Peierls Stress ◽  
Al Alloy ◽  
Embedded Atom ◽  
Dynamics Simulations ◽  
Edge Dislocations

ABSTRACTUsing the Voter-Chen Embedded Atom Method (EAM) potentials for the Ni-Al alloy system,the Peierls stress (σp) and velocity of edge dislocations (b=[100]) have been estimated in stoichiometric perfectly ordered B2 NiAIat a temperature of 10 K, by the use of molecular dynamics simulations employing approximately 4000 atoms. σp was determined to be about 3×1010 dynes/cm2, or about 2%of the shear modulus, C44. The steady state velocity was found to be about 1.6×105 cm/s (or 65% of the (001) shear velocity) under an applied shear stress of 3.9×1010 dynes/cm2. Stress induced martensite (SIM) was nucleated in some of the simulations after the dislocation had begun to move, and in all cases when the SIM reached the immediate neighborhood of the dislocation core the motion of the dislocation was arrested.

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