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ASM Handbook

Fundamentals of Modeling for Metals Processing

Edited by
D.U. Furrer
D.U. Furrer
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S.L. Semiatin
S.L. Semiatin
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ASM International
Volume
22A
ISBN electronic:
978-1-62708-196-2
Publication date:
2009
Book Chapter

Localization Parameter for the Prediction of Interface Structures and Reactions

By
Witold Lojkowski
Witold Lojkowski
Institute of High-Pressure Physics, Polish Academy of Sciences
,
Poland
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Hans J. Fecht
Hans J. Fecht
Institute for Micro and Nanotechnology, University of Ulm
,
Germany
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Published:
2009
Page range:
182 - 190
Publication history
September 24, 2009

Abstract

This article summarizes a physical model of an interface structure and shows how the model helps in optimizing atomistic modeling studies. It presents the orientation relationship of the interface structure to define the mutual crystallographic position of adjacent crystals. The article describes the model-informed atomistic modeling of the interface structures for interpolating the results of atomistic modeling to predict the properties of interfaces. Theories to predict low-energy orientation relationships are described. The article discusses the use of the localization parameter, such as shear modulus, bonding energy, and transformations, for prediction of interface structures. It provides information on the application of the atomistic modeling of interface structure to predict interface reaction mechanisms.

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Witold Lojkowski, Hans J. Fecht, 2009. "Localization Parameter for the Prediction of Interface Structures and Reactions", Fundamentals of Modeling for Metals Processing, D.U. Furrer, S.L. Semiatin

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