First-Principles Multiscale Investigation of Structural and Chemical Defects in Metals

First-Principles Multiscale Investigation of Structural and Chemical Defects in Metals

This thesis explores multiscale approaches to describe structural and chemical defects in metals. Particular emphasis is placed on investigating processes involving grain boundaries (GBs) in combination with impurity and vacancy defects. The defects and their interactions are calculated to very high...

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Bibliographic Details
Main Author: Schusteritsch, Georg
Other Authors: Kaxiras, Efthimios
Language:en_US
Published: Harvard University 2013
Subjects:
Condensed matter physics
Materials Science
Quantum physics
Chemical Embrittlement
Density Functional Theory
Grain Boundaries
Grain Boundary Sliding
Multiscale Modeling
Point defects (impurities and vacancies)
Online Access:http://dissertations.umi.com/gsas.harvard:10586
http://nrs.harvard.edu/urn-3:HUL.InstRepos:10381389

Internet

http://dissertations.umi.com/gsas.harvard:10586
http://nrs.harvard.edu/urn-3:HUL.InstRepos:10381389

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