TY - JOUR
T1 - Computer simulation of the mechanism of ordered precipitates of Al-Li alloy in external energy filed
AU - Wang, Yongxin
AU - Chen, Zheng
AU - Liu, Bing
AU - Ma, Liang
AU - Tang, Liying
AU - Zhao, Yuhong
PY - 2005/1
Y1 - 2005/1
N2 - A atomic-scale computer simulation programs of δ′(Al3Li) based on the microscopic diffusion equation and non-equilibrium free energy were firstly worked out, which can be used to process the problem relating with time. The precipitation mechanism of δ′ was investigated by simulating the atomic pictures and calculating the order parameters, etc., and the variation in precipitation mechanism with the nearest interchange interaction energy (W1), particularly the precipitation behavior of 13.5at%Li in Al-Li alloys were interpreted for the first time. It is found that the ordering reaction take place before the atom cluster processing. With the W1 increase, the precipitation incubation period of δ′ is shortened, the range of ordered phase decrease, and the number of ordered phase increase. The ordering process and atom clustering is promoted and the formation of the disordered phase is blocked while the nearest interchange interaction energy increase with the increase of W1, the time in which the ordering of the alloy is the most is moved up, and the ordering degree of the alloy is increased.
AB - A atomic-scale computer simulation programs of δ′(Al3Li) based on the microscopic diffusion equation and non-equilibrium free energy were firstly worked out, which can be used to process the problem relating with time. The precipitation mechanism of δ′ was investigated by simulating the atomic pictures and calculating the order parameters, etc., and the variation in precipitation mechanism with the nearest interchange interaction energy (W1), particularly the precipitation behavior of 13.5at%Li in Al-Li alloys were interpreted for the first time. It is found that the ordering reaction take place before the atom cluster processing. With the W1 increase, the precipitation incubation period of δ′ is shortened, the range of ordered phase decrease, and the number of ordered phase increase. The ordering process and atom clustering is promoted and the formation of the disordered phase is blocked while the nearest interchange interaction energy increase with the increase of W1, the time in which the ordering of the alloy is the most is moved up, and the ordering degree of the alloy is increased.
KW - Computed microstructure
KW - Computer simulation
KW - Interchange interaction energy
KW - Order parameters
KW - Precipitation
UR - https://www.scopus.com/pages/publications/14344249395
M3 - 文章
AN - SCOPUS:14344249395
SN - 1002-185X
VL - 34
SP - 46
EP - 50
JO - Xiyou Jinshu Cailiao Yu Gongcheng/Rare Metal Materials and Engineering
JF - Xiyou Jinshu Cailiao Yu Gongcheng/Rare Metal Materials and Engineering
IS - 1
ER -