Determining the melting temperature of three-dimensional atomic crystal using molecular dynamics simulation

Runze Liu; Zirui Wang; Lingyun Xu

doi:10.1117/12.2635100

25 April 2022 Determining the melting temperature of three-dimensional atomic crystal using molecular dynamics simulation

Runze Liu, Zirui Wang, Lingyun Xu

Author Affiliations +

Proceedings Volume 12244, 2nd International Conference on Mechanical, Electronics, and Electrical and Automation Control (METMS 2022); 122441G (2022) https://doi.org/10.1117/12.2635100
Event: 2nd International Conference on Mechanical, Electronics, and Electrical and Automation Control (METMS 2022), 2022, Guilin, China

Abstract

Copper was one of the initial metals to be used by human. Because of its good ductility, thermal conductivity and high electrical conductivity, copper is still widely used today. Typically, the processing of dealing with copper is to melt it and then cool it down into the desired shape. Therefore, the accurate measurement of copper melting point will make a great contribution to industrial production. In this experiment, we simply use LAMMPS to simulate both the copper’s melting process by using pair distribution function to determine the copper crystal melting point and using the Liquid-solid coexistence method to determine the melting point. Therefore, the result is that the melting point obtained by heating from lower temperatures to higher ones is approximately higher than 1300K, and it is 1349.73K by using Liquid-solid coexistence method.

Citation Download Citation

Runze Liu, Zirui Wang, and Lingyun Xu "Determining the melting temperature of three-dimensional atomic crystal using molecular dynamics simulation", Proc. SPIE 12244, 2nd International Conference on Mechanical, Electronics, and Electrical and Automation Control (METMS 2022), 122441G (25 April 2022); https://doi.org/10.1117/12.2635100

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