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Title: Benchmarks and Tests of a Multidimensional Cluster Dynamics Model of Helium Implantation in Tungsten

Abstract

Here, we present a hierarchical multiscale modeling study of implanted helium (He) segregation near grain boundaries (GBs) of tungsten. We extend our spatially dependent cluster dynamics model to two spatial dimensions in order to take into account the biased drift of mobile He clusters toward the GBs observed in atomic-scale simulations. We are also able to reproduce the results from large-scale molecular dynamics simulations near and away from the GBs at low fluence with the extended cluster dynamics model. We suggest and verify that the sink (surface and GB) strengths are attenuated by the increasing concentration of He clusters at high fluence. This cluster dynamics model continues to set the stage for development of fully atomistically informed, coarse-grained models for computationally efficient predictions of He retention and surface morphological evolution, advancing progress toward the goal of efficient and optimal design of plasma-facing components.

Authors:
 [1]; ORCiD logo [2];  [3];  [4];  [5];  [6]
  1. Univ. of Tennessee, Knoxville, TN (United States). Dept. of Nuclear Engineering; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Computer Sciences and Mathematics Division
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Computer Sciences and Mathematics Division
  3. Univ. of Missouri, Columbia, MO (United States). Dept. of Chemical Engineering, Nuclear Engineering Program
  4. University of Massachusetts, Department of Chemical Engineering, Amherst, Massachusetts 01003
  5. Univ. of Massachusetts, Amherst, MA (United States). Dept. of Chemical Engineering
  6. Univ. of Tennessee, Knoxville, TN (United States). Dept. of Nuclear Engineering; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Fusion and Materials for Nuclear Systems Division
Publication Date:
Research Org.:
Oak Ridge National Laboratory, Oak Ridge Leadership Computing Facility (OLCF); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1394190
DOE Contract Number:  
AC05-00OR22725
Resource Type:
Journal Article
Journal Name:
Fusion Science and Technology
Additional Journal Information:
Journal Volume: 71; Journal Issue: 1; Journal ID: ISSN 1536-1055
Publisher:
American Nuclear Society
Country of Publication:
United States
Language:
English
Subject:
70 PLASMA PHYSICS AND FUSION TECHNOLOGY; cluster dynamics simulation; grain boundaries; plasma-exposed tungsten

Citation Formats

Blondel, Sophie, Bernholdt, David E., Hammond, Karl D., Hu, Lin, Maroudas, Dimitrios, and Wirth, Brian D. Benchmarks and Tests of a Multidimensional Cluster Dynamics Model of Helium Implantation in Tungsten. United States: N. p., 2017. Web. doi:10.13182/FST16-109.
Blondel, Sophie, Bernholdt, David E., Hammond, Karl D., Hu, Lin, Maroudas, Dimitrios, & Wirth, Brian D. Benchmarks and Tests of a Multidimensional Cluster Dynamics Model of Helium Implantation in Tungsten. United States. doi:10.13182/FST16-109.
Blondel, Sophie, Bernholdt, David E., Hammond, Karl D., Hu, Lin, Maroudas, Dimitrios, and Wirth, Brian D. Fri . "Benchmarks and Tests of a Multidimensional Cluster Dynamics Model of Helium Implantation in Tungsten". United States. doi:10.13182/FST16-109.
@article{osti_1394190,
title = {Benchmarks and Tests of a Multidimensional Cluster Dynamics Model of Helium Implantation in Tungsten},
author = {Blondel, Sophie and Bernholdt, David E. and Hammond, Karl D. and Hu, Lin and Maroudas, Dimitrios and Wirth, Brian D.},
abstractNote = {Here, we present a hierarchical multiscale modeling study of implanted helium (He) segregation near grain boundaries (GBs) of tungsten. We extend our spatially dependent cluster dynamics model to two spatial dimensions in order to take into account the biased drift of mobile He clusters toward the GBs observed in atomic-scale simulations. We are also able to reproduce the results from large-scale molecular dynamics simulations near and away from the GBs at low fluence with the extended cluster dynamics model. We suggest and verify that the sink (surface and GB) strengths are attenuated by the increasing concentration of He clusters at high fluence. This cluster dynamics model continues to set the stage for development of fully atomistically informed, coarse-grained models for computationally efficient predictions of He retention and surface morphological evolution, advancing progress toward the goal of efficient and optimal design of plasma-facing components.},
doi = {10.13182/FST16-109},
journal = {Fusion Science and Technology},
issn = {1536-1055},
number = 1,
volume = 71,
place = {United States},
year = {2017},
month = {1}
}

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