Understanding twinning nucleation and dislocation core structure through interscale hybrid method

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Abstract

The variety of emerging simulation methods and improved computational power advance the understanding in nanometals as a good compensation of the experiments. In this paper, the first principle methods are discussed, especially as a useful combination of the classical molecular dynamics, to overcome the disadvantages of the latter method. Two examples are given as: the nucleation of the {10-12} deformation twinning in magnesium, and the screw dislocation core structure with/without hydrogen in tungsten.
Original languageEnglish
JournalProceedings of the Risø International Symposium on Materials Science
Volume35
Pages (from-to)485-491
ISSN0907-0079
Publication statusPublished - 2014
Event35th Risø International Symposium on Materials Science : New Frontiers of Nanometals - DTU, Risø Campus, Roskilde, Denmark
Duration: 1 Sep 20145 Sep 2014
Conference number: 35

Conference

Conference35th Risø International Symposium on Materials Science : New Frontiers of Nanometals
Number35
LocationDTU, Risø Campus
Country/TerritoryDenmark
CityRoskilde
Period01/09/201405/09/2014

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