TRANSACTIONS OF THE JAPAN SOCIETY OF MECHANICAL ENGINEERS Series A
Online ISSN : 1884-8338
ISSN-L : 1884-8338
Review
Prediction of Mechanical Properties of Materials from First-Principles
Shigenobu OGATA
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2012 Volume 78 Issue 791 Pages 934-944

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Abstract
Current ability and expecting future development of first-principles predictive modeling for studying mechanical properties of materials is comprehensively discussed by means of introducing recent publications and reports. Particulary, I pick up topics for the elastic properties (e.g., elastic constants, elastic strain engineering, ideal strength), the plastic properties, (e.g., dislocation core properties, stacking faults, twinning), and the interfacial properties, (e.g., strength of grain boundaies, strength of interfaces composed of dissimilar matereials), which are necessary to understand materials behavior under external loadings.
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© 2012 The Japan Society of Mechanical Engineers
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