scholarly journals Deformation Analysis of the Long-Period Stacking-Ordered Phase by Using Molecular Dynamics Simulations: Kink Deformation under Compression and Kink Boundary Migration under Tensile Strain

2015 ◽  
Vol 56 (7) ◽  
pp. 957-962 ◽  
Author(s):  
Ryosuke Matsumoto ◽  
Masayuki Uranagase
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Tensile Strain ◽  
Boundary Migration ◽  
Deformation Analysis ◽  
Long Period ◽  
Dynamics Simulations

scholarly journals Plastic Deformation Behavior of Bi-Crystal Magnesium Nanopillars with a { 10 1 ¯ 2 } Twin Boundary under Compression: Molecular Dynamics Simulations

Materials ◽  
2019 ◽  
Vol 12 (5) ◽  
pp. 750
Author(s):  
Xiaoyue Yang ◽  
Shuang Xu ◽  
Qingjia Chi
Keyword(s):  
Molecular Dynamics ◽  
Plastic Deformation ◽  
Molecular Dynamics Simulations ◽  
Twin Boundary ◽  
Basal Slip ◽  
Boundary Migration ◽  
Plastic Deformation Process ◽  
Plastic Deformation Behavior ◽  
Schmid Factor ◽  
Dynamics Simulations

In this study, molecular dynamics simulations were performed to study the uniaxial compression deformation of bi-crystal magnesium nanopillars with a { 10 1 ¯ 2 } twin boundary (TB). The generation and evolution process of internal defects of magnesium nanopillars were analyzed in detail. Simulation results showed that the initial deformation mechanism was mainly caused by the migration of the twin boundary, and the transformation of TB into (basal/prismatic) B/P interface was observed. After that, basal slip as well as pyramidal slip nucleated during the plastic deformation process. Moreover, a competition mechanism between twin boundary migration and basal slip was found. Basal slip can inhibit the migration of the twin boundary, and { 10 1 ¯ 1 } ⟨ 10 1 ¯ 2 ⟩ twins appear at a certain high strain level ( ε = 0.104). In addition, Schmid factor (SF) analysis was conducted to understand the activations of deformation modes.

Thermal conductivity of oxidized gamma-graphyne

RSC Advances ◽  
2015 ◽  
Vol 5 (80) ◽  
pp. 65221-65226 ◽  
Author(s):  
Y. Y. Zhang ◽  
Q. X. Pei ◽  
M. Hu ◽  
Z. Zong
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Tensile Strain ◽  
Oxygen Coverage ◽  
Dynamics Simulations

Molecular dynamics simulations are employed to investigate the thermal conductivity of oxidized gamma-graphyne with the different oxygen coverage and at different tensile strain.

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