Evaluating the ability to form single crystal.
Design of crystal materials requires predicting the ability of bulk materials to form single crystals, challenging current theories of material design. By introducing a concept of condensing potential (CP), it is shown via vast simulations of crystal growth for fcc (Ni, Cu, Al, Ar) and hcp (Mg), that materials with larger CP can grow into perfect single crystal more easily. Due to the simplicity of the calculation of CP, this method might prove a convenient way to evaluate the ability of materials to form single crystal.
Ye
Xiang-Xi
XX
Institute of Modern Physics, Fudan University, Shanghai 200433, China.
Ming
Chen
C
Hu
Yun-Cheng
YC
Ning
Xi-Jing
XJ