Molecular dynamics study of the melting behaviour of seven-atom clusters of fcc transition and noble metals on the (111) surface of the same metal using the embedded atom model

被引：15

作者：

Longo, RC ^{[1
]}

Rey, C ^{[1
]}

Gallego, LJ ^{[1
]}

机构：

[1] Univ Santiago Compostela, Fac Fis, Dept Fis Mat Condensada, E-15706 Santiago, Spain

来源：

SURFACE SCIENCE | 2000年 / 459卷 / 1-2期

关键词：

clusters; copper; gold; molecular dynamics; nickel; palladium; platinum; silver; surface diffusion;

D O I：

10.1016/S0039-6028(00)00548-3

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Using the Voter and Chen version of the embedded atom model, we performed molecular dynamics simulations to analyse the phase change behaviour of X-7 clusters on the X(111) surface (X = Ni, Pd, Pt, Cu, Ag, Au). Our calculations show that all the supported clusters undergo well-defined melting transitions preceded by loss of shape. However, there are significant differences among these metals as regards the mechanism of pre-melting cluster diffusion on the (111) surface. (C) 2000 Elsevier Science B.V. All rights reserved.

引用

页码：L441 / L445

页数：5

共 14 条

[1] MOLECULAR-DYNAMICS STUDY OF THE STRUCTURES, BINDING-ENERGIES, AND MELTING OF CLUSTERS OF FCC TRANSITION AND NOBLE-METALS USING THE VOTER AND CHEN VERSION OF THE EMBEDDED-ATOM MODEL
GARCIARODEJA, J
REY, C
GALLEGO, LJ
ALONSO, JA
PHYSICAL REVIEW B, 1994, 49 (12): : 8495 - 8498
[2] Molecular dynamics calculation of surface tension of liquid metals using the embedded atom model
Belashchenko, D. K.
Kravchunovskaya, N. E.
Ostrovski, O.
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2010, 34 (01): : 45 - 50
[3] A molecular dynamics study of the transport coefficients of liquid transition and noble metals using effective pair potentials obtained from the embedded atom model
Alemany, MMG
Gallego, LJ
González, LE
González, DJ
JOURNAL OF CHEMICAL PHYSICS, 2000, 113 (22): : 10410 - 10411
[4] Molecular dynamics for near melting temperatures simulations of metals using modified embedded-atom method
Etesami, S. Alireza
Asadi, Ebrahim
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2018, 112 : 61 - 72
[5] AN INVESTIGATION OF THE ANOMALOUS SURFACE PHONON SOFTENING ON NOBLE-METAL (111) SURFACES USING THE EMBEDDED ATOM METHOD
UNDERHILL, PR
SURFACE SCIENCE, 1988, 200 (01) : L441 - L444
[6] Molecular dynamics study of two-dimensional melting transition in copper via the embedded atom method
Pang, H.
Pan, Q.
Song, P. H.
PHYSICAL REVIEW B, 2007, 76 (06):
[7] On the relevance of extrinsic defects to melting. A molecular dynamics study using an embedded atom potential
Lutsko, J.F., 1600, (23):
[8] ON THE RELEVANCE OF EXTRINSIC DEFECTS TO MELTING - A MOLECULAR-DYNAMICS STUDY USING AN EMBEDDED ATOM POTENTIAL
LUTSKO, JF
WOLF, D
PHILLPOT, SR
YIP, S
SCRIPTA METALLURGICA, 1989, 23 (03): : 333 - 338
[9] A molecular dynamics study of solid gallium using a modified embedded atom model
Cherne, Frank J.
Kadau, Kai
Germann, Timothy C.
Shock Compression of Condensed Matter - 2005, Pts 1 and 2, 2006, 845 : 383 - 386
[10] MOLECULAR-DYNAMICS STUDY OF LATTICE-DEFECT-NUCLEATED MELTING IN METALS USING AN EMBEDDED-ATOM-METHOD POTENTIAL
LUTSKO, JF
WOLF, D
PHILLPOT, SR
YIP, S
PHYSICAL REVIEW B, 1989, 40 (05) : 2841 - 2855

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