1ST-PRINCIPLES POTENTIALS IN MODELING STRUCTURE AND THERMODYNAMICS OF FE-NI ALLOYS

被引:14
作者
CHENG, HP [1 ]
ELLIS, DE [1 ]
机构
[1] NORTHWESTERN UNIV, MAT RES CTR, EVANSTON, IL 60208 USA
来源
PHYSICAL REVIEW B | 1989年 / 39卷 / 17期
关键词
D O I
10.1103/PhysRevB.39.12469
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
引用
收藏
页码:12469 / 12483
页数:15
相关论文
共 43 条
[1]   MOLECULAR-DYNAMICS COMPUTER-SIMULATION OF THE WEAKLY INCOMMENSURATE PHASE OF MONOLAYER KRYPTON ON GRAPHITE [J].
ABRAHAM, FF ;
KOCH, SW ;
RUDGE, WE .
PHYSICAL REVIEW LETTERS, 1982, 49 (25) :1830-1833
[2]  
ABRAHAM FF, 1984, PHYS REV LETT, V52, P255
[3]   OSCILLATORY RELAXATION OF THE NI(110) SURFACE - A LEED STUDY [J].
ADAMS, DL ;
PETERSEN, LE ;
SORENSEN, CS .
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1985, 18 (08) :1753-1766
[4]   Self-consistent molecular Hartree-Fock-Slater calculations - I. The computational procedure [J].
Baerends, E. J. ;
Ellis, D. E. ;
Ros, P. .
CHEMICAL PHYSICS, 1973, 2 (01) :41-51
[5]  
BILONI H, 1983, PHYSICAL METALLURGY, pCH9
[6]  
BLAKELY WR, 1977, SURF SCI, V62, P267
[7]  
CAAHN RW, 1983, PHYSICAL METALLURGY, pCH17
[8]  
Chen H. M., UNPUB
[9]  
CHENG HP, 1988, THESIS U EVANSTON IL
[10]   EMBEDDED-ATOM METHOD - DERIVATION AND APPLICATION TO IMPURITIES, SURFACES, AND OTHER DEFECTS IN METALS [J].
DAW, MS ;
BASKES, MI .
PHYSICAL REVIEW B, 1984, 29 (12) :6443-6453