First-Principles Approaches to Metals, Alloys, and Metallic Compounds

First-Principles Approaches to Metals, Alloys, and Metallic Compounds

Current fundamental electronic-structure theory allows for the accurate prediction and characterization of elemental metals adopting any allotropic structure, intermetallic compounds, and other metal-rich phases. From an engineering perspective, there is a need for structural materials that are suit...

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Bibliographic Details
Main Author: Richard Dronskowski (Ed.) (auth)
Format: Book Chapter
Published: MDPI - Multidisciplinary Digital Publishing Institute 2018
Subjects:
precipitates
stacking-fault energy
deformation mechanism
first principles
hydrogen embrittlement
high-manganese steels
density-functional theory
scale transfer
electronic-structure theory
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