排序方式: 共有4条查询结果,搜索用时 0 毫秒
1
1.
2.
A simple theoretical model proposed recently to evaluate the ability of bulk materials to form single crystals is further tested via vast molecular dynamics simulations of growth for fcc (Ni,Cu,Al,Ar) and hcp (Mg) crystals,especially applied to the growth of bcc (Fe) crystal,showing that the validity of the model is independent of crystal types and the interaction potentials of the constitute atoms. 相似文献
3.
Design of superhard bulk materials requires predicting their hardness, challenging current theories for material design. By introducing a concept of condensing force (CF), it is shown via ab initio calculations for fcc (Ni, Cu, Al, Ir, Rh, Au, Ag, Pd) and hcp Re crystals that materials with larger CF can have greater hardness. Since the calculation of CF is easy, this method might prove a convenient way to evaluate the hardness of newly designed materials. 相似文献
4.
1