Molecular dynamics study on the evolution of interfacial dislocation network and mechanical properties of Ni-based single crystal superalloys

2018 ◽  
Vol 382 (20) ◽  
pp. 1361-1367 ◽  
Author(s):  
Nan-Lin Li ◽  
Wen-Ping Wu ◽  
Kai Nie
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Single Crystal ◽  
Dislocation Network ◽  
Interfacial Dislocation

Vacancy and Temperature Effects on Mechanical Properties of Single-Crystal Bulk Mg2Si: A Molecular Dynamics Study

2013 ◽  
Vol 43 (6) ◽  
pp. 1668-1673 ◽  
Author(s):  
Rui Yu ◽  
Shuyong Yang ◽  
Gang Chen ◽  
Pengcheng Zhai ◽  
Lisheng Liu
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Single Crystal ◽  
Temperature Effects ◽  
Crystal Bulk

scholarly journals Pressure Dependence of Structural and Mechanical Properties of Single-Crystal Tungsten: A Molecular Dynamics Study

Metals ◽  
2021 ◽  
Vol 11 (12) ◽  
pp. 1898
Author(s):  
Xuepeng Liu ◽  
Kezhong Xu ◽  
Hua Zhai
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
High Pressure ◽  
Single Crystal ◽  
Pressure Dependence ◽  
High Pressures ◽  
External Pressure ◽  
Uniaxial Tensile ◽  
Linear Lattice ◽  
Lattice Contraction

In the current study, molecular dynamics (MD) simulations were performed to study the pressure dependence of the structural and mechanical properties of single-crystal tungsten. The results show that single-crystal tungsten possesses noteworthy high-pressure stability and exhibits linear lattice contraction with increasing external pressure. Consistent with the results of the performed experiments, the predicted elastic moduli, including Young’s modulus, shear modulus, and bulk modulus, as well as Poisson’s ratio and Pugh’s modulus ratio, show a clear increasing trend with the increase in pressure. Under uniaxial tensile loading, the single-crystal tungsten at high pressures experiences a phase transition from BCC to FCC and other disordered structures, which results in a stripe-like morphology in the tungsten crystal. These results are expected to deepen our understanding of the high-pressure structural and mechanical behaviors of tungsten materials.

Quasicontinuum Simulation of Uniaxial Tension of Single Crystal Copper Nanowire

2011 ◽  
Vol 694 ◽  
pp. 200-204
Author(s):  
Xing Lei Hu ◽  
Ying Chun Liang ◽  
Jia Xuan Chen ◽  
Hong Min Pen
Keyword(s):  
Mechanical Properties ◽  
Finite Element Method ◽  
Molecular Dynamics ◽  
Finite Element ◽  
Single Crystal ◽  
Size Effects ◽  
Tension Test ◽  
Quasicontinuum Method ◽  
Single Crystal Copper ◽  
Copper Nanowire

Quasicontinuum simulations of tension test of single crystal copper nanowire are performed to analyze deformation mechanism of tension process and size effects of mechanical properties. New tension models of nanowire are constructed by using quasicontinuum method, which has combined molecular dynamics and finite element method. Tension processes of three different length nanowires without notches and those with notches are simulated. Yield strength and elastic modulus are calculated according to the obtained load-displacement curves. Finally, the results show that the mechanical properties of copper nanowire have obvious size effect and the notches have obvious influence on the mechanical properties.

Molecular Dynamics Study of the Mechanical Properties of Single-Crystal Bulk β-Zn4Sb3: Vacancy and Temperature Effects

2012 ◽  
Vol 41 (6) ◽  
pp. 1470-1475 ◽  
Author(s):  
Guodong Li ◽  
Yao Li ◽  
Qingjie Zhang ◽  
Lisheng Liu ◽  
Pengcheng Zhai
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Single Crystal ◽  
Temperature Effects ◽  
Crystal Bulk
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