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.

Mechanical property prediction of starch/polymer composites by molecular dynamics simulation

RSC Advances ◽  
2014 ◽  
Vol 4 (22) ◽  
pp. 11475-11480 ◽  
Author(s):  
Yao-Chun Wang ◽  
Shin-Pon Ju ◽  
Chien-Chia Chen ◽  
Hsin-Tsung Chen ◽  
Jin-Yuan Hsieh
Keyword(s):  
Mechanical Properties ◽  
Mechanical Property ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Polymer Composites ◽  
Md Simulation ◽  
Dynamics Simulation ◽  
Property Prediction ◽  
Mechanical Property Prediction

Molecular dynamics (MD) simulation was used to investigate the mechanical properties of several starch composites.

scholarly journals Aluminum nanocomposites reinforced with monolayer polyaniline (C3N): assessing the mechanical and ballistic properties

RSC Advances ◽  
2020 ◽  
Vol 10 (33) ◽  
pp. 19134-19148
Author(s):  
Kasra Einalipour Eshkalak ◽  
Sadegh Sadeghzadeh ◽  
Fatemeh Molaei
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Method ◽  
Dynamics Simulation ◽  
Ballistic Properties ◽  
New Material

This study unveils C3N, a new material that serves as an excellent reinforcement to enhance the mechanical properties of aluminum using a molecular dynamics simulation method.

Molecular Dynamics Simulation of the Mechanical Properties of NR/TPI

2012 ◽  
Vol 560-561 ◽  
pp. 1114-1118 ◽  
Author(s):  
Hao Jiang ◽  
Hong Yue ◽  
Jian Yong Zhao ◽  
Qing E Sha
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Pair Correlation ◽  
Simulation Method ◽  
Dynamics Simulation ◽  
Structure Property ◽  
Rubber Blends ◽  
Multi Scale ◽  
Gutta Percha

This paper addresses the potential of molecular dynamics simulation for structure–property correlations in rubber. This is an important topic within a multi-scale framework to rubber blends. For that purpose, the Mechanical Properties of NR(Natural rubber)/TPI(Gutta percha) are studied by Molecular dynamics simulation method. The result indicates that the NR/TPI’s properties have been improved significantly. Compared to the pure TPI, the rubber blends’ Modulus and rigidity decrease while flexibility and strength are enhanced. Based on these, the pair correlation functions are discussed, the best simulation technique identified in this study reveal the nature of interactions between the components of the blends.

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.

Mechanical behaviors of AlCrFeCuNi high-entropy alloys under uniaxial tension via molecular dynamics simulation

RSC Advances ◽  
2016 ◽  
Vol 6 (80) ◽  
pp. 76409-76419 ◽  
Author(s):  
Jia Li ◽  
QiHong Fang ◽  
Bin Liu ◽  
YouWen Liu ◽  
Yong Liu
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Uniaxial Tension ◽  
Deformation Mechanism ◽  
Dynamics Simulation ◽  
High Entropy Alloy ◽  
High Entropy Alloys ◽  
Mechanical Behaviors ◽  
High Entropy

Although a high-entropy alloy has exhibited promising mechanical properties, little attention has been given to the dynamics deformation mechanism during uniaxial tension, which limits its widespread and practical utility.

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