@article {490,
	title = {A MOLECULAR-DYNAMICS STUDY OF SELF-DIFFUSION ON METAL-SURFACES},
	journal = {Surface Science},
	volume = {301},
	number = {1-3},
	year = {1994},
	note = {<p>ISI Document Delivery No.: MV372Times Cited: 33Cited Reference Count: 59Cited References: ALANISSILA T, 1992, PROG SURF SCI, V39, P227, DOI 10.1016/0079-6816(92)90017-C Allen M. P., 1987, COMPUTER SIMULATION AYRAULT G, 1974, J CHEM PHYS, V60, P281, DOI 10.1063/1.1680781 BASSETT DW, 1978, SURF SCI, V70, P520, DOI 10.1016/0039-6028(78)90429-6 Bassett D.W., 1969, British Journal of Applied Physics (Journal of Physics D), V2 BASSETT DW, 1976, J PHYS C SOLID STATE, V9, P2491, DOI 10.1088/0022-3719/9/13/009 CHEN C, 1991, PHYS REV LETT, V66, P1610, DOI 10.1103/PhysRevLett.66.1610 CHEN CL, 1991, SURF SCI, V246, P13 CHEN CL, 1992, J VAC SCI TECHNOL A, V10, P2178, DOI 10.1116/1.578001 CHEN CL, 1990, PHYS REV B, V41, P12403, DOI 10.1103/PhysRevB.41.12403 CHEN CL, 1990, PHYS REV LETT, V64, P3147, DOI 10.1103/PhysRevLett.64.3147 COWAN P, 1975, PHYS LETT A, V53, P383, DOI 10.1016/0375-9601(75)90040-7 DAW MS, 1983, PHYS REV LETT, V50, P1285, DOI 10.1103/PhysRevLett.50.1285 DAW MS, 1984, PHYS REV B, V29, P6443, DOI 10.1103/PhysRevB.29.6443 DOLL JD, 1982, J CHEM PHYS, V77, P479, DOI 10.1063/1.443630 DOLL JD, 1982, SURF SCI, V123, P99, DOI 10.1016/0039-6028(82)90132-7 EHRLICH G, 1980, ANNU REV PHYS CHEM, V31, P603, DOI 10.1146/annurev.pc.31.100180.003131 EHRLICH G, 1991, SURF SCI, V246, P1, DOI 10.1016/0039-6028(91)90385-6 EHRLICH G, 1966, J CHEM PHYS, V44, P1039, DOI 10.1063/1.1726787 ERHLICH G, 1981, PHYS TODAY JUN, P44 FEIBELMAN PJ, 1990, PHYS REV LETT, V65, P729, DOI 10.1103/PhysRevLett.65.729 FINNIS MW, 1984, PHILOS MAG A, V50, P45 FLAHIVE PG, 1980, SURF SCI, V91, P449, DOI 10.1016/0039-6028(80)90344-1 GAROFALINI SH, 1981, SURF SCI, V104, P199, DOI 10.1016/0039-6028(81)90130-8 GIRIFALCO LA, 1959, PHYS REV, V114, P687, DOI 10.1103/PhysRev.114.687 GRAHAM WR, 1974, SURF SCI, V45, P530, DOI 10.1016/0039-6028(74)90187-3 GRAHAM WR, 1975, THIN SOLID FILMS, V25, P85, DOI 10.1016/0040-6090(75)90249-7 GUILLOPE M, 1989, SURF SCI, V215, P577, DOI 10.1016/0039-6028(89)90277-X GUPTA RP, 1981, PHYS REV B, V23, P6252 HALICIOGLU T, 1975, PHYS STATUS SOLIDI A, V30, P619, DOI 10.1002/pssa.2210300223 KAHANER D, 1989, NUMBERICAL METHODS S KELLOGG GL, 1978, SURF SCI, V70, P485, DOI 10.1016/0039-6028(78)90428-4 KELLOGG GL, 1990, PHYS REV LETT, V64, P3143, DOI 10.1103/PhysRevLett.64.3143 LIU CL, 1991, SURF SCI, V253, P334, DOI 10.1016/0039-6028(91)90604-Q LOMBARDO SJ, 1991, SURF SCI REP, V13, P1 MCDOWELL HK, 1982, SURF SCI, V121, pL537, DOI 10.1016/0039-6028(82)90230-8 MCDOWELL HK, 1983, J CHEM PHYS, V78, P3219, DOI 10.1063/1.445238 Muller E. W., 1969, FIELD ION MICROSCOPY NOGGLE JH, 1989, PHYSICAL CHEM, P37 PARK SC, 1984, J CHEM PHYS, V80, P2191, DOI 10.1063/1.446907 REED DA, 1975, PHILOS MAG, V32, P1095, DOI 10.1080/14786437508221679 ROSATO V, 1989, PHILOS MAG A, V59, P321 SUTTON AP, 1990, PHIL MAG LETT, V61, P139, DOI 10.1080/09500839008206493 TOMANEK D, 1985, PHYS REV B, V32, P5051, DOI 10.1103/PhysRevB.32.5051 TOMANEK D, 1983, PHYS REV B, V28, P665, DOI 10.1103/PhysRevB.28.665 TSONG TT, 1991, PHYS REV B, V43, P2007, DOI 10.1103/PhysRevB.43.2007 TSONG TT, 1988, REP PROG PHYS, V51, P759, DOI 10.1088/0034-4885/51/6/001 TSONG TT, 1975, PHYS REV B, V12, P1343, DOI 10.1103/PhysRevB.12.1343 TSONG TT, 1993, PHYS TODAY, V46, P24, DOI 10.1063/1.881389 Tsong TT, 1990, ATOM PROBE FIELD ION TSONG TT, 1975, THIN SOLID FILMS, V25, P97, DOI 10.1016/0040-6090(75)90250-3 TULLY JC, 1979, J CHEM PHYS, V71, P1630, DOI 10.1063/1.438490 TUNG RT, 1980, SURF SCI, V97, P73, DOI 10.1016/0039-6028(80)90104-1 VOTER AF, 1984, J CHEM PHYS, V80, P5832, DOI 10.1063/1.446610 WAHNSTROM G, 1990, INTERACTION ATOMS MO WANG SC, 1989, SURF SCI, V224, pL997, DOI 10.1016/0039-6028(89)90896-0 WANG SC, 1989, PHYS REV LETT, V62, P2297, DOI 10.1103/PhysRevLett.62.2297 WILSON WD, 1981, PHYS REV B, V24, P5616, DOI 10.1103/PhysRevB.24.5616 WRIGLEY JD, 1980, PHYS REV LETT, V44, P661, DOI 10.1103/PhysRevLett.44.661SHIANG, KD WEI, CM TSONG, TTELSEVIER SCIENCE BVAMSTERDAM</p>
},
	month = {Jan},
	pages = {136-150},
	type = {Article},
	abstract = {<p>We propose in this paper a theoretical model to investigate surface self-diffusion of single adatoms on the face-centered-cubic metals. Calculations are performed on the channeled (110), densely packed (111) and loosely packed (001) surfaces of iridium at temperature T = 800 K. Three realistic model potentials, Embedded Atom method, Sutton-Chen and Rosato-Guillope-Legrand potentials, are applied to describe the interatomic interaction of the adatom/substrate systems. These potentials all involve a few empirical fittings of bulk properties of solid which incorporate with many-body effects. With these potentials, conventional molecular dynamics (MD) is employed to obtain trajectories of the atoms. On the (111) plane, via the Einstein relation, the estimated random walk exponential prefactors and activation energies do exhibit Arrhenius behavior, which are in reasonably good agreement with the experimental results. On the (001) and (110) faces, a number of theoretical evidences for atomic diffusion by exchange mechanism of the adatom with a surface atom are presented, which are again in fairly good agreement with the experiments. In addition, an examination of the exchange diffusion characteristics on several systems (Cu, Rh and Pt) is also presented.</p>
},
	keywords = {ADSORPTION, ATOMIC EXCHANGE MECHANISM, BEHAVIOR, CLUSTERS, CRYSTAL, IR ATOMS, PLATINUM, SINGLE ADATOMS, SYSTEM, TRANSITION-METALS},
	isbn = {0039-6028},
	url = {<Go to ISI>://WOS:A1994MV37200022},
	author = {Shiang, K. D. and Wei, C. M. and Tsong, T. T.}
}
