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Title: An Overview of Recent Standard and Accelerated Molecular Dynamics Simulations of Helium Behavior in Tungsten

Abstract

One of the most important challenges for the successful adoption of nuclear fusion power corresponds to plasma-facing materials. Because of its favorable properties in this context (low sputtering yield, high thermal conductivity, high melting point, among others), tungsten is a leading candidate material. Nevertheless, tungsten is affected by the plasma and fusion byproducts. Irradiation by helium nuclei, in particular, strongly modifies the surface structure by a synergy of processes, whose origin is the nucleation and growth of helium bubbles. In this review, we present recent advances in the understanding of helium effects in tungsten from a simulational approach based on accelerated molecular dynamics, which emphasizes the use of realistic parameters, as are expected in experimental and operational fusion power conditions.

Authors:
ORCiD logo [1];  [1];  [1];  [1]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Fusion Energy Sciences (FES) (SC-24); USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR) (SC-21). Scientific Discovery through Advanced Computing (SciDAC); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division
OSTI Identifier:
1547692
Alternate Identifier(s):
OSTI ID: 1558075
Report Number(s):
LA-UR-19-26201
Journal ID: ISSN 1996-1944; MATEG9
Grant/Contract Number:  
89233218CNA000001; AC02-05CH11231; AC05- 00OR22725; AC52-O6NA25396; AC05-00OR22725
Resource Type:
Journal Article: Published Article
Journal Name:
Materials
Additional Journal Information:
Journal Volume: 12; Journal Issue: 16; Journal ID: ISSN 1996-1944
Publisher:
MDPI
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 70 PLASMA PHYSICS AND FUSION TECHNOLOGY; helium bubbles; tungsten; nucleation and growth

Citation Formats

Sandoval, Luis, Perez, Danny, Uberuaga, Blas P., and Voter, Arthur F. An Overview of Recent Standard and Accelerated Molecular Dynamics Simulations of Helium Behavior in Tungsten. United States: N. p., 2019. Web. doi:10.3390/ma12162500.
Sandoval, Luis, Perez, Danny, Uberuaga, Blas P., & Voter, Arthur F. An Overview of Recent Standard and Accelerated Molecular Dynamics Simulations of Helium Behavior in Tungsten. United States. doi:10.3390/ma12162500.
Sandoval, Luis, Perez, Danny, Uberuaga, Blas P., and Voter, Arthur F. Wed . "An Overview of Recent Standard and Accelerated Molecular Dynamics Simulations of Helium Behavior in Tungsten". United States. doi:10.3390/ma12162500.
@article{osti_1547692,
title = {An Overview of Recent Standard and Accelerated Molecular Dynamics Simulations of Helium Behavior in Tungsten},
author = {Sandoval, Luis and Perez, Danny and Uberuaga, Blas P. and Voter, Arthur F.},
abstractNote = {One of the most important challenges for the successful adoption of nuclear fusion power corresponds to plasma-facing materials. Because of its favorable properties in this context (low sputtering yield, high thermal conductivity, high melting point, among others), tungsten is a leading candidate material. Nevertheless, tungsten is affected by the plasma and fusion byproducts. Irradiation by helium nuclei, in particular, strongly modifies the surface structure by a synergy of processes, whose origin is the nucleation and growth of helium bubbles. In this review, we present recent advances in the understanding of helium effects in tungsten from a simulational approach based on accelerated molecular dynamics, which emphasizes the use of realistic parameters, as are expected in experimental and operational fusion power conditions.},
doi = {10.3390/ma12162500},
journal = {Materials},
issn = {1996-1944},
number = 16,
volume = 12,
place = {United States},
year = {2019},
month = {8}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.3390/ma12162500

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Works referenced in this record:

A climbing image nudged elastic band method for finding saddle points and minimum energy paths
journal, December 2000

  • Henkelman, Graeme; Uberuaga, Blas P.; Jónsson, Hannes
  • The Journal of Chemical Physics, Vol. 113, Issue 22, p. 9901-9904
  • DOI: 10.1063/1.1329672