Computer simulation of materialsunder extreme conditions
2016 (English)Doctoral thesis, comprehensive summary (Other academic)
Extreme conditions allow us to reveal unusual material properties. At the same time an experimental approach is di-cult under such conditions. Capabilities of a theoretical approach based on simplied models are limited. This explainsa wide application of computer simulations at extreme conditions. My thesis is concerned with computer simulations undersuch a conditions. I address such problems as melting, solidsolid phase transitions, shockwave impact on material properties and chemical reactions under extreme conditions. We addressed these problems to facilitate simulations of phase transitions to provide some interpretation of experimental data andexplain enigmatic phenomena in interior of the Earth.
Place, publisher, year, edition, pages
Stockholm: KTH Royal Institute of Technology, 2016. , ix, 83 p.
TRITA-FYS, ISSN 0280-316X ; 2016:27
ab initio, molecular dynamics, phase transition, metadynamics
Condensed Matter Physics
Research subject Physics
IdentifiersURN: urn:nbn:se:kth:diva-188146ISBN: 9789177290353OAI: oai:DiVA.org:kth-188146DiVA: diva2:933622
2016-06-15, FB52, Albanova Universitetscentrum, Stockholm, 10:00 (English)
QC 201606152016-06-152016-06-072016-06-15Bibliographically approved
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