Recent advances in modeling and simulation of the exposure and response of tungsten to fusion energy conditions

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http://hdl.handle.net/10138/307877

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Marian , J , Becquart , C S , Domain , C , Dudarev , S L , Gilbert , M R , Kurtz , R J , Mason , D R , Nordlund , K , Sand , A E , Snead , L L , Suzudo , T & Wirth , B D 2017 , ' Recent advances in modeling and simulation of the exposure and response of tungsten to fusion energy conditions ' , Nuclear Fusion , vol. 57 , no. 9 , 092008 . https://doi.org/10.1088/1741-4326/aa5e8d

Title: Recent advances in modeling and simulation of the exposure and response of tungsten to fusion energy conditions
Author: Marian, Jaime; Becquart, Charlotte S.; Domain, Christophe; Dudarev, Sergei L.; Gilbert, Mark R.; Kurtz, Richard J.; Mason, Daniel R.; Nordlund, Kai; Sand, Andrea E.; Snead, Lance L.; Suzudo, Tomoaki; Wirth, Brian D.
Contributor: University of Helsinki, Department of Physics
University of Helsinki, Department of Physics
Date: 2017-09
Language: eng
Number of pages: 26
Belongs to series: Nuclear Fusion
ISSN: 0029-5515
URI: http://hdl.handle.net/10138/307877
Abstract: Under the anticipated operating conditions for demonstration magnetic fusion reactors beyond ITER, structural and plasma-facing materials will be exposed to unprecedented conditions of irradiation, heat flux, and temperature. While such extreme environments remain inaccessible experimentally, computational modeling and simulation can provide qualitative and quantitative insights into materials response and complement the available experimental measurements with carefully validated predictions. For plasma-facing components such as the first wall and the divertor, tungsten (W) has been selected as the leading candidate material due to its superior high-temperature and irradiation properties, as well as for its low retention of implanted tritium. In this paper we provide a review of recent efforts in computational modeling of W both as a plasma-facing material exposed to He deposition as well as a bulk material subjected to fast neutron irradiation. We use a multiscale modeling approach-commonly used as the materials modeling paradigm-to define the outline of the paper and highlight recent advances using several classes of techniques and their interconnection. We highlight several of the most salient findings obtained via computational modeling and point out a number of remaining challenges and future research directions.
Subject: modeling and simulation
plasma-facing materials
tungsten
neutron irradiation
fusion materials
KINETIC MONTE-CARLO
MOLECULAR-DYNAMICS SIMULATIONS
NEUTRON-IRRADIATED TUNGSTEN
EMPIRICAL POTENTIAL CALCULATIONS
FUNCTIONAL THEORY ASSESSMENT
CASCADE DAMAGE CONDITIONS
AB-INITIO CALCULATIONS
RADIATION-DAMAGE
DEFECT PRODUCTION
GRAIN-BOUNDARY
114 Physical sciences
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