MOLECULAR-DYNAMICS SIMULATION OF THE NI(001) SURFACE

被引：6

作者：

CHIRITA, V

PAILTHORPE, BA

机构：

[1] School of Physics, University of Sydney, Broadway

来源：

THIN SOLID FILMS | 1992年 / 208卷 / 01期

关键词：

D O I：

10.1016/0040-6090(92)90961-A

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A Lennard-Jones two-body interatomic potential is used in a molecular dynamics simulation of bulk nickel and of the Ni(001) surface stabilized using a Dion-Barker-Merrill substrate interaction. It is found that the bulk and surface Debye temperatures and surface atomic displacements compare well with previous theoretical and experimental studies.

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页码：149 / 152

页数：4

相关论文

共 29 条

[1] CALCULATION OF DYNAMICAL SURFACE PROPERTIES OF NOBLE-GAS CRYSTALS .I. QUASIHARMONIC APPROXIMATION [J].

ALLEN, RE ;

DEWETTE, FW .

PHYSICAL REVIEW, 1969, 179 (03) :873-&

[2] MEAN-SQUARE AMPLITUDES OF VIBRATION AT A SURFACE [J].

ALLEN, RE ;

WETTE, FWD .

PHYSICAL REVIEW, 1969, 188 (03) :1320-&

[3] CALCULATION OF DYNAMICAL SURFACE PROPERTIES OF NOBLE-GAS CRYSTALS .2. MOLECULAR DYNAMICS [J].

ALLEN, RE ;

DEWETTE, FW .

PHYSICAL REVIEW, 1969, 179 (03) :887-+

[4] MEAN SQUARE THERMAL DISPLACEMENT FOR SURFACE ATOMS IN NICKEL (001) SURFACE [J].

ANDERSSON, S ;

KASEMO, B .

SOLID STATE COMMUNICATIONS, 1970, 8 (22) :1885-+

[5]

[Anonymous], 1974, INTERACTION GASES SO

[6] DYNAMICAL MOTION OF ATOMS IN NI(001) AND RH(001) SURFACES [J].

BLACK, JE ;

CAMPBELL, DA ;

WALLIS, RF .

SURFACE SCIENCE, 1981, 105 (2-3) :629-643

[7]

CLARK BC, 1965, PHYS REV, V139, P860

[8] 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

[9] ANALYSIS OF LOW-ENERGY-ELECTRON-DIFFRACTION INTENSITY SPECTRA FOR (001), (110), AND (111) NICKEL [J].

DEMUTH, JE ;

MARCUS, PM ;

JEPSEN, DW .

PHYSICAL REVIEW B, 1975, 11 (04) :1460-1474

[10]

DEWETTE FW, 1969, STRUCTURE CHEM SOLID