skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

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

Abstract

One of the most critical challenges for the successful adoption of nuclear fusion power corresponds to plasma-facing materials. Due to 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; ; ;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1547692
Grant/Contract Number:  
AC52-O6NA25396; AC02-05CH11231; AC05- 00OR22725
Resource Type:
Published Article
Journal Name:
Materials
Additional Journal Information:
Journal Name: Materials Journal Volume: 12 Journal Issue: 16; Journal ID: ISSN 1996-1944
Publisher:
MDPI AG
Country of Publication:
Switzerland
Language:
English

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. Switzerland: 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. Switzerland. 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". Switzerland. 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 critical challenges for the successful adoption of nuclear fusion power corresponds to plasma-facing materials. Due to 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},
number = 16,
volume = 12,
place = {Switzerland},
year = {2019},
month = {8}
}

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

Save / Share:

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.; J├│nsson, Hannes
  • The Journal of Chemical Physics, Vol. 113, Issue 22, p. 9901-9904
  • DOI: 10.1063/1.1329672