High Temperature Mechanical Behavior of Aluminum- Cu50Zr50Metallic Glass Interface

5th National Conference on Processing and Characterization of Materials

Gupta, P.^1 ; Yedla, N.^1

Computational Materials Engineering Group, Department of Metallurgical and Materials Engineering, National Institute of Technology, Rourkela

769008, India^1

关键词: Crystalline interfaces;    Deformation studies;    Embedded-atom method;    High temperature;    High temperature mechanical behavior;    Interface fracture;    Interface strength;    Molecular dynamics simulations;   

Others  :  https://iopscience.iop.org/article/10.1088/1757-899X/115/1/012024/pdf
DOI  :  10.1088/1757-899X/115/1/012024

来源: IOP

【 摘 要 】

Molecular dynamics (MD) simulations are carried out to determine interface strength between aluminum (metal) and Cu50Zr50(metallic glass) at temperature of 500 K and at strain rate of 108s-1. Simulation box of size 100 Å (x) ×110 Å (y) ×50 Å (z) is used for the above studies. At first Al-Cu50Zr50crystalline interface model is built with the base layer-Al of 50 A and the top layer-Cu50Zr50of 55 Å along y-direction. Later Cu50Zr50metallic glass is obtained by quenching at a cooling rate of 4 x 1012Ks-1. NPT ensemble is used in metallic glass preparation simulation. The interface model is then equilibrated at 300 K for 500 ps to relieve the internal stresses. EAM (Embedded Atom Method) potential is used for modelling the interaction between Al-Cu-Zr atoms. The interface strength of Al-Cu50Zr50model interface is determined by applying load in the directions normal (mode-I) and parallel (mode-II) to the interface. NVT ensemble is used for the deformation studies. In mode-I for perfect and cracked interface, the interface fractures in the Al-region via necking. Sticking of the Al-atoms to the metallic glass is observed in both the loading conditions. Also, multiple voids are nucleated at the interface.