TY - GEN
T1 - Interatomic potentials for metal/metal wetting systems
AU - Makino, Takehiko
AU - Kubo, Atsushi
AU - Iida, Hiroki
AU - Tanaka, Shun Ichiro
PY - 2005/1/1
Y1 - 2005/1/1
N2 - Considering the uniqueness of wetting systems consisting of three components, namely, the surface, liquid and liquid/solid interface, it is desirable to construct interatomic potentials following a consistent policy. To investigate the physical meaning of the behavior in terms of the interatomic potentials, the wetting systems are modeled by simple two-body interatomic potentials derived using ab initio molecular orbital calculations for hypothetical clusters representing the above three components. For In and Sn liquid atoms, spreading occurs on a Cu (111) surface, while in contrast, liquid atoms penetrate the substrate and form a surface alloy in the case of a Pd (111) surface.
AB - Considering the uniqueness of wetting systems consisting of three components, namely, the surface, liquid and liquid/solid interface, it is desirable to construct interatomic potentials following a consistent policy. To investigate the physical meaning of the behavior in terms of the interatomic potentials, the wetting systems are modeled by simple two-body interatomic potentials derived using ab initio molecular orbital calculations for hypothetical clusters representing the above three components. For In and Sn liquid atoms, spreading occurs on a Cu (111) surface, while in contrast, liquid atoms penetrate the substrate and form a surface alloy in the case of a Pd (111) surface.
KW - Interatomic potentials
KW - Molecular dynamics simulation
KW - Surface alloy
KW - Wetting system
UR - http://www.scopus.com/inward/record.url?scp=33746062971&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=33746062971&partnerID=8YFLogxK
U2 - 10.4028/0-87849-980-6.75
DO - 10.4028/0-87849-980-6.75
M3 - Conference contribution
AN - SCOPUS:33746062971
SN - 0878499806
SN - 9780878499809
T3 - Materials Science Forum
SP - 75
EP - 80
BT - New Frontiers of Processing and Eng. in Advanced Materials - Proc. of the Int. Conf. on New Frontiers of Process Science and Eng. in Advanced Materials, PSEA' 04 - The 14th Iketani Conference
PB - Trans Tech Publications Ltd
T2 - International Conference on New Frontiers of Process Science and Engineering in Advanced Materials, PSEA' 04
Y2 - 24 November 2004 through 26 November 2004
ER -