Understanding twinning nucleation and dislocation core structure through interscale hybrid method

Ben  Xu; Xiaodan Zhang

Understanding twinning nucleation and dislocation core structure through interscale hybrid method

Ben Xu, Xiaodan Zhang

Department of Wind Energy

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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 language	English
Journal	Proceedings of the Risø International Symposium on Materials Science
Volume	35
Pages (from-to)	485-491
ISSN	0907-0079
Publication status	Published - 2014
Event	35th Risø International Symposium on Materials Science : New Frontiers of Nanometals - DTU, Risø Campus, Roskilde, Denmark Duration: 1 Sep 2014 → 5 Sep 2014 Conference number: 35

Conference

Conference	35th Risø International Symposium on Materials Science : New Frontiers of Nanometals
Number	35
Location	DTU, Risø Campus
Country/Territory	Denmark
City	Roskilde
Period	01/09/2014 → 05/09/2014

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2037 Xu Ben Xu underrstanding of mechanisms and behaviors in nanometals from sub nanometer to sub micrometer through modeling benxu 1

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title = "Understanding twinning nucleation and dislocation core structure through interscale hybrid method",

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.",

author = "Ben Xu and Xiaodan Zhang",

year = "2014",

language = "English",

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pages = "485--491",

journal = "Proceedings of the Ris{\o} International Symposium on Materials Science",

issn = "0907-0079",

publisher = "Ris{\o} National Laboratory",

note = "35th Ris{\o} International Symposium on Materials Science : New Frontiers of Nanometals ; Conference date: 01-09-2014 Through 05-09-2014",

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T1 - Understanding twinning nucleation and dislocation core structure through interscale hybrid method

AU - Xu, Ben

AU - Zhang, Xiaodan

N1 - Conference code: 35

PY - 2014

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N2 - 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.

AB - 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.

M3 - Conference article

VL - 35

SP - 485

EP - 491

JO - Proceedings of the Risø International Symposium on Materials Science

JF - Proceedings of the Risø International Symposium on Materials Science

SN - 0907-0079

T2 - 35th Risø International Symposium on Materials Science : New Frontiers of Nanometals

Y2 - 1 September 2014 through 5 September 2014

ER -

Understanding twinning nucleation and dislocation core structure through interscale hybrid method

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