Mechanical properties of Fe, Ni and Fe-Ni alloy: Strength and stiffness of materials using lammps molecular dynamics simulation

2020 ◽  
Author(s):  
Arief Maulana ◽  
Artoto Arkundato ◽  
Sutisna ◽  
Herri Trilaksana
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Ni Alloy ◽  
Alloy Strength ◽  
Strength And Stiffness

scholarly journals A molecular dynamics study on the mechanical properties of Fe–Ni alloy nanowires and their temperature dependence

RSC Advances ◽  
2020 ◽  
Vol 10 (66) ◽  
pp. 40084-40091
Author(s):  
Jianxin Chen ◽  
Pengtao Li ◽  
E Emily Lin
Keyword(s):  
Mechanical Properties ◽  
Mechanical Property ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Temperature Dependence ◽  
Deformation Mechanism ◽  
Simulation Method ◽  
Dynamics Simulation ◽  
Ni Alloy ◽  
Alloy Nanowires

Deformation mechanism and mechanical property of Fe–Ni alloy nanowires are investigated through molecular dynamics simulation method.

scholarly journals Molecular Dynamics Simulation on Creep Mechanism of Nanocrystalline Cu-Ni Alloy

2021 ◽  
Vol 18 (1) ◽  
pp. 67
Author(s):  
Kasum Kasum ◽  
Fajar Mulyana ◽  
Mohamad Zaenudin ◽  
Adhes Gamayel ◽  
M. N. Mohammed
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
High Pressure ◽  
Molecular Dynamics Simulation ◽  
Creep Mechanism ◽  
Atomic Scale ◽  
Dynamics Simulation ◽  
Ni Alloy ◽  
Higher Temperature ◽  
Temperature And Pressure

Creep mechanism is an essential mechanism for material when subjected to a high temperature and high pressure. It shows material ability during an extreme application to maintain its structure and properties, especially high pressure and temperature. This test is already done experimentally in many materials such as metallic alloys, various stainless steel, and composites. However, understanding the creep mechanism at the atomic level is challenging due to the instruments  limitation. Still, the improvement of mechanical properties is expected can be done in such a group. In this work, the creep mechanism of the nanocrystalline Cu-Ni alloy is demonstrated in terms of molecular dynamics simulation. The result shows a significant impact on both temperature and pressure. The deformation supports the mechanisms as a result of the grain boundary diffusion. Quantitative analysis shows a more substantial difference in creep-rate at a higher temperature and pressure parameters. This study has successfully demonstrated the mechanism of creep at the atomic scale and may be used for improving the mechanical properties of the material.

Molecular Dynamics Simulation of Crack Initiation of Aluminum under Tensile Deformation

2011 ◽  
Vol 378-379 ◽  
pp. 7-10
Author(s):  
Gui Xue Bian ◽  
Yue Liang Chen ◽  
Jian Jun Hu ◽  
Li Xu
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Elastic Constants ◽  
Tensile Deformation ◽  
Crack Nucleation ◽  
Tensile Load ◽  
Dynamics Simulation ◽  
Metal Aluminum ◽  
Impurity Metal

Molecular dynamics simulation was used to simulate the tension process of purity and containing impurity metal aluminum. Elastic constants of purity and containing impurity metal aluminum were calculated, and the effects of impurity on the elastic constants were also studied. The results show that O-Al bond and Al-Al bond near oxygen atoms could be the sites of crack nucleation or growth under tensile load, the method can be extended to research mechanical properties of other metals and alloys structures.

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