Ab initio prediction of the mechanical properties of alloys
At the time of the 50th anniversary of the Kohn-Sham method, ab initio calculations based on density functional theory have formed an accurate, efficient, and reliable method to work on the properties of engineering materials. In this thesis, we use the exact muffin-tin orbitals method combined with...
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| Format: | Doctoral Thesis |
| 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-169511 http://nbn-resolving.de/urn:isbn:978-91-7595-636-7 |