CALCULATION OF HELIUM DISSOCIATION ENERGIES FOR VANADIUM, NIOBIUM AND MOLYBDENUM BY A COMPUTER SIMULATION METHOD.

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

Atomistic calculations of activation energies of helium dissociation from helium-vacancy clusters in vanadium, niobium and molybdenum have been performed by a computer simulation method. In the process, formation energies of vacancy clusters, interstitial helium and helium-vacancy clusters have been also calculated as well as migration energies of vacancy and helium. Potentials of metal-metal and helium-metal for vanadium and molybdenum were after R. H. Johnson and W. D. Wilson, whereas other potentials were constructed in a similar manner. Calculated dissociation energies in vanadium and niobium are around 3. 0 ev and smaller than those in molybdenum (4. 0 ev to 5. 0 ev). Large helium dissociation energies from small clusters suggest stable agglomeration states of helium in these bcc metals.

Original languageEnglish
Pages (from-to)3018-3026
Number of pages9
JournalJournal of the Physical Society of Japan
Volume53
Issue number9
Publication statusPublished - 1984 Sep
Externally publishedYes

Fingerprint

niobium
vanadium
molybdenum
computerized simulation
helium
dissociation
energy
metals
energy of formation
agglomeration
interstitials
activation energy

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

@article{d6e7ef3e89ce45acb07da564f7d14893,
title = "CALCULATION OF HELIUM DISSOCIATION ENERGIES FOR VANADIUM, NIOBIUM AND MOLYBDENUM BY A COMPUTER SIMULATION METHOD.",
abstract = "Atomistic calculations of activation energies of helium dissociation from helium-vacancy clusters in vanadium, niobium and molybdenum have been performed by a computer simulation method. In the process, formation energies of vacancy clusters, interstitial helium and helium-vacancy clusters have been also calculated as well as migration energies of vacancy and helium. Potentials of metal-metal and helium-metal for vanadium and molybdenum were after R. H. Johnson and W. D. Wilson, whereas other potentials were constructed in a similar manner. Calculated dissociation energies in vanadium and niobium are around 3. 0 ev and smaller than those in molybdenum (4. 0 ev to 5. 0 ev). Large helium dissociation energies from small clusters suggest stable agglomeration states of helium in these bcc metals.",
author = "Naoto Kobayashi",
year = "1984",
month = "9",
language = "English",
volume = "53",
pages = "3018--3026",
journal = "Journal of the Physical Society of Japan",
issn = "0031-9015",
publisher = "Physical Society of Japan",
number = "9",

}

TY - JOUR

T1 - CALCULATION OF HELIUM DISSOCIATION ENERGIES FOR VANADIUM, NIOBIUM AND MOLYBDENUM BY A COMPUTER SIMULATION METHOD.

AU - Kobayashi, Naoto

PY - 1984/9

Y1 - 1984/9

N2 - Atomistic calculations of activation energies of helium dissociation from helium-vacancy clusters in vanadium, niobium and molybdenum have been performed by a computer simulation method. In the process, formation energies of vacancy clusters, interstitial helium and helium-vacancy clusters have been also calculated as well as migration energies of vacancy and helium. Potentials of metal-metal and helium-metal for vanadium and molybdenum were after R. H. Johnson and W. D. Wilson, whereas other potentials were constructed in a similar manner. Calculated dissociation energies in vanadium and niobium are around 3. 0 ev and smaller than those in molybdenum (4. 0 ev to 5. 0 ev). Large helium dissociation energies from small clusters suggest stable agglomeration states of helium in these bcc metals.

AB - Atomistic calculations of activation energies of helium dissociation from helium-vacancy clusters in vanadium, niobium and molybdenum have been performed by a computer simulation method. In the process, formation energies of vacancy clusters, interstitial helium and helium-vacancy clusters have been also calculated as well as migration energies of vacancy and helium. Potentials of metal-metal and helium-metal for vanadium and molybdenum were after R. H. Johnson and W. D. Wilson, whereas other potentials were constructed in a similar manner. Calculated dissociation energies in vanadium and niobium are around 3. 0 ev and smaller than those in molybdenum (4. 0 ev to 5. 0 ev). Large helium dissociation energies from small clusters suggest stable agglomeration states of helium in these bcc metals.

UR - http://www.scopus.com/inward/record.url?scp=0021483669&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0021483669&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0021483669

VL - 53

SP - 3018

EP - 3026

JO - Journal of the Physical Society of Japan

JF - Journal of the Physical Society of Japan

SN - 0031-9015

IS - 9

ER -