Argon scattering from liquid indium: Simulations with embedded atom potentials and experiment

Citation
D. Chase et al., Argon scattering from liquid indium: Simulations with embedded atom potentials and experiment, J CHEM PHYS, 113(20), 2000, pp. 9279-9287
Citations number
30
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
113
Issue
20
Year of publication
2000
Pages
9279 - 9287
Database
ISI
SICI code
0021-9606(20001122)113:20<9279:ASFLIS>2.0.ZU;2-N
Abstract
An embedded-atom type potential for liquid indium is developed by fitting b ulk liquid thermodynamic and structural data. An empirical pairwise Ar-In i nteraction is also proposed. Molecular-dynamics simulations of argon scatte ring from liquid indium are carried out and compared with molecular beam sc attering data. Very good agreement is found between the experimental and th eoretical angular and energy scattering distributions. This supports the po tential functions used. Implications for the atomic-scale structure of liqu id In and for gas-surface energy transfer are briefly discussed. (C) 2000 A merican Institute of Physics. [S0021-9606(00)70733-1].