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    <identifier>10.57760/sciencedb.03973</identifier>
    <datestamp>2022-10-21T09:18:19Z</datestamp>
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<oai_dc:dc xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
  <dc:date>2022-10-21</dc:date>
  <dc:title>Molecular dynamics study of the hydrogen and helium interaction in tungsten</dc:title>
  <dc:identifier>doi:10.57760/sciencedb.03973</dc:identifier>
  <dc:language>en</dc:language>
  <dc:description>Tungsten (W) and W alloys are regarded as the most promising candidates for plasma facing materials (PFMs), which will be widely used in the next generation of fusion reactors. However, blistering in W-PFM induced by extremely high fluxes of low-energy hydrogen (H) and helium (He) ions irradiation will seriously influence the plasma stability and limits the lifetime of PFM. We systematically investigate the interaction between H and He interaction in W using molecular dynamics (MD) calculations. The vacancy clusters can capture a large amount of H/He, and the H-He-vacancy clusters have much higher binding energy to He than to H. The binding energy of H-He-vacancy clusters to vacancy/W is positive, and H-He-vacancy clusters have strong trapping of W atoms and vacancies. He will strongly affect the H behavior in W, He atoms and He cluster will trap H atoms, thereby preventing the diffusion of H in W.</dc:description>
  <dc:subject>Tungsten; Hydrogen; Helium; Molecular dynamics simulation</dc:subject>
  <dc:creator>Xiaochun Li</dc:creator>
  <dc:creator>Lu Tao</dc:creator>
  <dc:creator>Xindong Pan</dc:creator>
  <dc:creator>Yuping Xu</dc:creator>
  <dc:creator>Guojian Niu</dc:creator>
  <dc:creator>Qian Xu</dc:creator>
  <dc:creator>Haishan Zhou</dc:creator>
  <dc:creator>Guangnan Luo</dc:creator>
  <dc:rights>PUBLIC</dc:rights>
  <dc:rights>https://creativecommons.org/licenses/by/4.0/</dc:rights>
  <dc:type>dataset</dc:type>
  <dc:relation>http://www.doi.org/10.1016/j.nimb.2019.06.033</dc:relation>
  <dc:publisher>Science Data Bank</dc:publisher>
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