Density Functional Study of Elastic Properties of Metallic Alloys
Special quasi-random structure (SQS) and coherent potential approximation (CPA) are techniques widely employed in the first-principles calculations of random alloys. The aim of the thesis is to study these approaches by focusing on the local lattice distortion (LLD) and the crystal symmetry effects....
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| Format: | Others |
| Language: | English |
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KTH, Tillämpad materialfysik
2015
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| Online Access: | http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-179336 http://nbn-resolving.de/urn:isbn:978-91-7595-787-6 |