scholarly journals Deformation mechanism in Al0.1CoCrFeNi Σ3(111)[11̄0] high entropy alloys – molecular dynamics simulations

RSC Advances ◽  
2020 ◽  
Vol 10 (46) ◽  
pp. 27688-27696
Author(s):  
Cuixia Liu ◽  
Yuchia Yang ◽  
Zhenhai Xia
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Grain Boundaries ◽  
Deformation Mechanism ◽  
Deformation Behavior ◽  
Compressive Loading ◽  
High Entropy Alloys ◽  
High Entropy ◽  
Dynamics Simulations

Build grain boundaries for Al0.1CoCrFeNi Σ3(111)[11̄0] HEA and elucidate the deformation behavior under tensile and compressive loading.

scholarly journals Revealing the deformation mechanism of amorphous polyethylene subjected to cycle loading via molecular dynamics simulations

RSC Advances ◽  
2018 ◽  
Vol 8 (56) ◽  
pp. 32377-32386 ◽  
Author(s):  
Qihong Fang ◽  
Yuanyuan Tian ◽  
Hong Wu ◽  
Jia Li
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Deformation Mechanism ◽  
Deformation Behavior ◽  
Shear Loading ◽  
Cycle Loading ◽  
Dynamics Simulations

Despite tremendous efforts being devoted to the study of the deformation behavior of polyethylene, the deformation mechanism of an amorphous polyethylene polymer under cycle shear-loading remains largely unknown.

Anomalous diffusion of water molecules at grain boundaries in ice Ih

2018 ◽  
Vol 20 (20) ◽  
pp. 13944-13951 ◽  
Author(s):  
Pedro Augusto Franco Pinheiro Moreira ◽  
Roberto Gomes de Aguiar Veiga ◽  
Ingrid de Almeida Ribeiro ◽  
Rodrigo Freitas ◽  
Julian Helfferich ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Grain Boundaries ◽  
Anomalous Diffusion ◽  
First Principles ◽  
Water Molecules ◽  
Diffusive Behavior ◽  
Classical Molecular Dynamics ◽  
Dynamics Simulations

First-principles and classical molecular dynamics simulations show that diffusion of water molecules at pre-melted grain boundaries in ice is glassy-like, showing sub-diffusive behavior.

Sign in / Sign up

Export Citation Format

Share Document