TY  - EJOU
AU  - Wang, Lu  
AU  - Yang, Cuihhong  
AU  - Liu, Tong  
AU  - Wu, Hongyan  

TI  - Ab Initio Molecular-Dynamics Simulation Liquid and Amorphous Al<sub>94-x</sub>Ni<sub>6</sub>La<sub>x</sub> (x=3-9) Alloys
T2  - Computers, Materials \& Continua

PY  - 2019
VL  - 60
IS  - 2
SN  - 1546-2226

AB  - Ab initio molecular-dynamics simulations have been used to investigate the liquid and amorphous Al94-xNi6Lax (x=3-9) alloys. Through calculating the pair distribution functions and partial coordination numbers, the structure and properties of these alloys are researched, which will help the design bulk metallic glass. The concentration of La atoms can affect the short-range order of Al94-xNi6Lax alloys, which is also studied in this calculation result.
KW  - Molecular dynamics simulation
KW  -  liquid and amorphous alloys
KW  -  pair distribution functions

DO  - 10.32604/cmc.2019.04499