Thermodynamic and kinetic properties of Fe-Cr and TiC-ZrC alloys from Density Functional Theory

Thermodynamic and kinetic properties of Fe-Cr and TiC-ZrC alloys from Density Functional Theory

The complete and accurate thermodynamic and kinetic description of any systemis crucialfor understanding and predicting its properties. A particular interest is in systemsthat are used for some practical applications and have to be constantly improved usingmodification of their composition and struc...

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Bibliographic Details
Main Author: Razumovskiy, Vsevolod
Format: Doctoral Thesis
Language:English
Published: KTH, Materialteknologi 2012
Subjects:
ab initio
first principles
point defects
vacancy clusters
alloys
steels
iron
carbides
diffusion
phase diagram
density functional theory
elastic constants
elastic properties
thermodynamic modelling
Online Access:http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-96285
http://nbn-resolving.de/urn:isbn:978-91-7501-340-4

Internet

http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-96285
http://nbn-resolving.de/urn:isbn:978-91-7501-340-4

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