Modeling of metal/ceramics wetting systems

Takehiko Makino; Shun Ichiro Tanaka

Modeling of metal/ceramics wetting systems

Takehiko Makino, Shun Ichiro Tanaka

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Abstract

Wetting can be regarded as a kind of effective nanostructure-forming process. To control the structure, a study on the relationship between atomic interactions and the resultant wetting behaviors is required. To model the wetting system, two sets of interatomic potentials for Metal/MgO(100) systems are derived from first principles calculation results for the simple configurations. A molecular dynamics method is applied to simulate the system and shows that Al atoms wet better than Sn atoms on the MgO(100) substrate. This tendency is consistent with the experimental results of contact angles.

Original language	English
Title of host publication	Interfaces in Heterogeneous Ceramic Systems - Proceedings of the 6th Pacific Rim Conference on Ceramic and Glass Technology, PacRim6
Pages	31-41
Number of pages	11
Publication status	Published - 2006 Jul 24
Externally published	Yes
Event	6th Pacific Rim Conference on Ceramic and Glass Technology, PacRim6 - Maui, HI, United States Duration: 2005 Sep 11 → 2005 Sep 16

Publication series

Name	Ceramic Transactions
Volume	191
ISSN (Print)	1042-1122

Other

Other	6th Pacific Rim Conference on Ceramic and Glass Technology, PacRim6
Country	United States
City	Maui, HI
Period	05/9/11 → 05/9/16

ASJC Scopus subject areas

Ceramics and Composites
Materials Chemistry

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Cite this

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title = "Modeling of metal/ceramics wetting systems",

abstract = "Wetting can be regarded as a kind of effective nanostructure-forming process. To control the structure, a study on the relationship between atomic interactions and the resultant wetting behaviors is required. To model the wetting system, two sets of interatomic potentials for Metal/MgO(100) systems are derived from first principles calculation results for the simple configurations. A molecular dynamics method is applied to simulate the system and shows that Al atoms wet better than Sn atoms on the MgO(100) substrate. This tendency is consistent with the experimental results of contact angles.",

author = "Takehiko Makino and Tanaka, {Shun Ichiro}",

year = "2006",

month = jul,

day = "24",

language = "English",

isbn = "0470083883",

series = "Ceramic Transactions",

pages = "31--41",

booktitle = "Interfaces in Heterogeneous Ceramic Systems - Proceedings of the 6th Pacific Rim Conference on Ceramic and Glass Technology, PacRim6",

note = "6th Pacific Rim Conference on Ceramic and Glass Technology, PacRim6 ; Conference date: 11-09-2005 Through 16-09-2005",

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AU - Tanaka, Shun Ichiro

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N2 - Wetting can be regarded as a kind of effective nanostructure-forming process. To control the structure, a study on the relationship between atomic interactions and the resultant wetting behaviors is required. To model the wetting system, two sets of interatomic potentials for Metal/MgO(100) systems are derived from first principles calculation results for the simple configurations. A molecular dynamics method is applied to simulate the system and shows that Al atoms wet better than Sn atoms on the MgO(100) substrate. This tendency is consistent with the experimental results of contact angles.

AB - Wetting can be regarded as a kind of effective nanostructure-forming process. To control the structure, a study on the relationship between atomic interactions and the resultant wetting behaviors is required. To model the wetting system, two sets of interatomic potentials for Metal/MgO(100) systems are derived from first principles calculation results for the simple configurations. A molecular dynamics method is applied to simulate the system and shows that Al atoms wet better than Sn atoms on the MgO(100) substrate. This tendency is consistent with the experimental results of contact angles.

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BT - Interfaces in Heterogeneous Ceramic Systems - Proceedings of the 6th Pacific Rim Conference on Ceramic and Glass Technology, PacRim6

T2 - 6th Pacific Rim Conference on Ceramic and Glass Technology, PacRim6

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ER -