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Density functional theory calculations are conducted to investigate the stability and interactions among small helium (He) clusters in bulk tungsten (W). The lowest energy structure of each cluster for sizes… Click to show full abstract
Density functional theory calculations are conducted to investigate the stability and interactions among small helium (He) clusters in bulk tungsten (W). The lowest energy structure of each cluster for sizes n = 1 to 6 is determined. With the formation of He clusters, He defects form in bulk W. The thermodynamics of the clusters are investigated in the temperature range of 1000–2300K using molecular dynamics. This study provides the information essential to understand small He cluster behavior in bulk W.
Keywords:
helium clusters;
small helium;
clustering dissolution;
clusters bulk;
bulk tungsten
Journal Title: Chinese Physics Letters
Year Published: 2018
Link to full text (if available)
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Journal Title: Chinese Physics Letters
Year Published: 2018
Link to full text (if available)
Share on Social Media: Sign Up to like & get
recommendations!