Work

First-principles molecular dynamics simulations of the mechanical properties of Ti-Zr-Cu-Ni-X (X = Ta, Mn, V)

Year: 2025

Type: conference-paper

Abstract: To improve the research efficiency and shorten the research cycle of new Ti-Zr-Cu-Ni-based high-entropy bulk metallic glass (HE-BMGs), three HE-BMGs of Ti-Zr-Cu-Ni-X (X=Ta, Mn, V) were simulated and prepared by molecular dynamics simulation method in this paper. The radial distribution function (RDF) was used to analyze the degree of disorder in the output alloy structure. The constant strain method was used to calculate the elastic modulus of the constructed model and to infer the mechanical properties of the amorphous alloy. HE-BMGs with the addition of V elements have Young’s modulus of elasticity of up to 105 GPa and shear modulus of up to 37 GPa with the addition of Mn elements. The Poisson’s ratio is an optimum 0.34.

Source: Journal of Physics Conference Series

DOI: 10.1088/1742-6596/2951/1/012053

Authors: Haichao Jiao, Mingyue Wen, Zishuo Li, Tingyi Yan, Biao Li

Institutions: Shenyang Ligong University, Chinese Academy of Sciences, Institute of Metal Research

Language: English

Topic: Metallic Glasses and Amorphous Alloys

Subfield: Mechanical Engineering

Field: Engineering

Domain: Physical Sciences

Open Access status: diamond

OpenAlex ID: W4407768871

FWCI: 3.89

Cites: 5

Cited by: 1

Related to: 10