scholarly journals Molecular dynamics simulation and machine learning of mechanical response in non-equiatomic FeCrNiCoMn high entropy alloy

2021 ◽  
Author(s):  
Liang Zhang ◽  
Kun Qian ◽  
Jun Huang ◽  
Mao Liu ◽  
Yasushi Shibuta
Keyword(s):  
Machine Learning ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Mechanical Response ◽  
Dynamics Simulation ◽  
High Entropy Alloy ◽  
High Entropy

scholarly journals Molecular dynamics simulation of Al–Co–Cr–Cu–Fe–Ni high entropy alloy thin film growth

2016 ◽  
Vol 68 ◽  
pp. 78-86 ◽  
Author(s):  
Lu Xie ◽  
Pascal Brault ◽  
Anne-Lise Thomann ◽  
Xiao Yang ◽  
Yong Zhang ◽  
...  
Keyword(s):  
Thin Film ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Film Growth ◽  
Thin Film Growth ◽  
Dynamics Simulation ◽  
High Entropy Alloy ◽  
Alloy Thin Film ◽  
High Entropy

scholarly journals Molecular dynamics simulation of the solidification of AlCoCuFeNi high–entropy alloy nanowire

2019 ◽  
Vol 27 (2) ◽  
pp. 61-64
Author(s):  
O. I. Kushnerov
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
High Entropy Alloy ◽  
Solidification Behavior ◽  
Common Neighbor ◽  
High Entropy ◽  
Embedded Atom ◽  
Rate Of Cooling ◽  
Atom Potential

Molecular dynamics simulation of the solidification behavior of AlCoCuFeNi nanowire was carried out basing on the embedded atom potential with different cooling rates (1∙1011 , 1∙1012, and 1∙1013 K/s). To simulate an infinite nanowire, a periodical boundary condition along the nanowire axis direction was applied. The crystallization of the nanowire was characterized by studying the temperature dependence of the potential energy. The adaptive common neighbor analysis (CNA) was performed and the radial distribution function (RDF) was calculated to determine the structure and lattice parameters of phases of the AlCoCuFeNi nanowire. It has been shown that the final structure of investigated nanoparticle changes from amorphous to crystalline with decreasing of the rate of cooling.

scholarly journals AlCoCuFeNi high–entropy alloy nanoparticle melting and solidification: a classical molecular dynamics simulation study

2019 ◽  
Vol 27 (1) ◽  
pp. 41-46
Author(s):  
O. I. Kushnerov
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
High Entropy Alloy ◽  
Temperature Hysteresis ◽  
Common Neighbor ◽  
High Entropy ◽  
Eam Potential ◽  
Melting And Crystallization ◽  
Melting And Solidification

The processes of melting and solidification of AlCoCuFeNi nanoparticle of about 10 nm is studied by molecular dynamics simulation at three different cooling rates (1∙1011 K/s, 1∙1012 K/s, and 1∙1013 K/s) using the embedded atom model (EAM) potential. The melting and crystallization of the nanoparticle are characterized by studying the temperature dependence of the potential energy. The adaptive common neighbor analysis (CNA) is performed and the radial distribution function (RDF) is calculated to determine the structure and lattice parameters of phases of the AlCoCuFeNi nanoparticle. It is shown that the final structure of the investigated nanoparticle changes from amorphous to crystalline with decreasing of the rate of cooling, and the temperature hysteresis takes place during the melting and crystallization of AlCoCuFeNi HEA nanoparticle.

Sign in / Sign up

Export Citation Format

Share Document