Calculation of Helium Dissociation Energies for Vanadium,Niobium and Molybdenum by a Computer Simulation Method

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概要

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• Atomistic calculations of activation energies of helium dissociation fromhelium-vacancy clusters in vanadium, niobium and molybdenum have beenperformed by a computer simulation method. In the process, formation energiesof vacancy clusters, interstitial helium and helium-vacancy clusters have been alsocalculated as well as migration energies of vacancy and helium. Potentials ofmetal-metal and helium-metal for vanadium and molybdenum were after Johnsonand Wilson, whereas other potentials were constructed in a similar manner.Calculated dissociation energies in vanadium and niobium are around 3.0 eV andsmaller than those in molybdenum (4.0 eV to 5.0 eV). Large helium dissociationenergies from small clusters suggest stable agglomeration states of helium inthese bcc metals.

• 社団法人日本物理学会の論文
• 1984-09-15

著者

• KOBAYASHI Naoto

  Electrotechnical Laboratory

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