TY - EJOU
AU - Wang, Lu
AU - Yang, Cuihhong
AU - Liu, Tong
AU - Wu, Hongyan
TI - Ab Initio Molecular-Dynamics Simulation Liquid and Amorphous Al_{94-x}Ni_{6}La_{x} (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