Kinetics of the migration and clustering of extrinsic gas in bcc metals

C. S. Deo, S. G. Srinivasan, M. I. Baskes, S. A. Maloy, M. R. James, M. Okuniewski, James F Stubbins

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

We study the mechanisms by which gas atoms such as helium and hydrogen diffuse and interact with other defects in bcc metals and investigate the effect of these mechanisms on the nucleation of embryonic gas bubbles. Large quantities of helium and hydrogen are produced due to spallation and transmutation in structural materials in fusion and accelerator-driven reactors. The long time evolution of the extrinsic gas atoms and their accumulation at vacancies is studied using a kinetic Monte Carlo algorithm that is parameterized by the migration energies of the point defect entities. First-order reaction kinetics are observed when gas clusters with vacancies. If gas-gas clustering is allowed, mixed-order diffusion limited kinetics are observed. When dissociation of gas from clusters is allowed, gas-vacancy clusters survive to steady state while gas-gas clusters dissolve. We obtain cluster size distributions and reaction rate constants that can be used to quantify microstructural evolution of the irradiated metal.

Original languageEnglish (US)
Title of host publicationEffects of Radiation on Materials
Subtitle of host publication23rd International Symposium
PublisherASTM International
Pages177-189
Number of pages13
Volume1492 STP
ISBN (Print)9780803134218
StatePublished - 2008
EventEffects of Radiation on Materials: 23rd International Symposium - San Jose, CA, United States
Duration: Jun 13 2006Jun 15 2006

Other

OtherEffects of Radiation on Materials: 23rd International Symposium
CountryUnited States
CitySan Jose, CA
Period6/13/066/15/06

Fingerprint

Gases
Metals
Kinetics
Vacancies
Helium
Hydrogen
Atoms
Microstructural evolution
Point defects
Reaction kinetics
Reaction rates
Particle accelerators
Rate constants
Nucleation
Fusion reactions
Defects

Keywords

  • First wall materials
  • Helium
  • Kinetics
  • Radiation effects
  • Structural materials
  • Theory and modeling

ASJC Scopus subject areas

  • Materials Science(all)

Cite this

Deo, C. S., Srinivasan, S. G., Baskes, M. I., Maloy, S. A., James, M. R., Okuniewski, M., & Stubbins, J. F. (2008). Kinetics of the migration and clustering of extrinsic gas in bcc metals. In Effects of Radiation on Materials: 23rd International Symposium (Vol. 1492 STP, pp. 177-189). ASTM International.

Kinetics of the migration and clustering of extrinsic gas in bcc metals. / Deo, C. S.; Srinivasan, S. G.; Baskes, M. I.; Maloy, S. A.; James, M. R.; Okuniewski, M.; Stubbins, James F.

Effects of Radiation on Materials: 23rd International Symposium. Vol. 1492 STP ASTM International, 2008. p. 177-189.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Deo, CS, Srinivasan, SG, Baskes, MI, Maloy, SA, James, MR, Okuniewski, M & Stubbins, JF 2008, Kinetics of the migration and clustering of extrinsic gas in bcc metals. in Effects of Radiation on Materials: 23rd International Symposium. vol. 1492 STP, ASTM International, pp. 177-189, Effects of Radiation on Materials: 23rd International Symposium, San Jose, CA, United States, 6/13/06.
Deo CS, Srinivasan SG, Baskes MI, Maloy SA, James MR, Okuniewski M et al. Kinetics of the migration and clustering of extrinsic gas in bcc metals. In Effects of Radiation on Materials: 23rd International Symposium. Vol. 1492 STP. ASTM International. 2008. p. 177-189
Deo, C. S. ; Srinivasan, S. G. ; Baskes, M. I. ; Maloy, S. A. ; James, M. R. ; Okuniewski, M. ; Stubbins, James F. / Kinetics of the migration and clustering of extrinsic gas in bcc metals. Effects of Radiation on Materials: 23rd International Symposium. Vol. 1492 STP ASTM International, 2008. pp. 177-189
@inproceedings{a0e2dbf15969419eb377d988d516259c,
title = "Kinetics of the migration and clustering of extrinsic gas in bcc metals",
abstract = "We study the mechanisms by which gas atoms such as helium and hydrogen diffuse and interact with other defects in bcc metals and investigate the effect of these mechanisms on the nucleation of embryonic gas bubbles. Large quantities of helium and hydrogen are produced due to spallation and transmutation in structural materials in fusion and accelerator-driven reactors. The long time evolution of the extrinsic gas atoms and their accumulation at vacancies is studied using a kinetic Monte Carlo algorithm that is parameterized by the migration energies of the point defect entities. First-order reaction kinetics are observed when gas clusters with vacancies. If gas-gas clustering is allowed, mixed-order diffusion limited kinetics are observed. When dissociation of gas from clusters is allowed, gas-vacancy clusters survive to steady state while gas-gas clusters dissolve. We obtain cluster size distributions and reaction rate constants that can be used to quantify microstructural evolution of the irradiated metal.",
keywords = "First wall materials, Helium, Kinetics, Radiation effects, Structural materials, Theory and modeling",
author = "Deo, {C. S.} and Srinivasan, {S. G.} and Baskes, {M. I.} and Maloy, {S. A.} and James, {M. R.} and M. Okuniewski and Stubbins, {James F}",
year = "2008",
language = "English (US)",
isbn = "9780803134218",
volume = "1492 STP",
pages = "177--189",
booktitle = "Effects of Radiation on Materials",
publisher = "ASTM International",

}

TY - GEN

T1 - Kinetics of the migration and clustering of extrinsic gas in bcc metals

AU - Deo, C. S.

AU - Srinivasan, S. G.

AU - Baskes, M. I.

AU - Maloy, S. A.

AU - James, M. R.

AU - Okuniewski, M.

AU - Stubbins, James F

PY - 2008

Y1 - 2008

N2 - We study the mechanisms by which gas atoms such as helium and hydrogen diffuse and interact with other defects in bcc metals and investigate the effect of these mechanisms on the nucleation of embryonic gas bubbles. Large quantities of helium and hydrogen are produced due to spallation and transmutation in structural materials in fusion and accelerator-driven reactors. The long time evolution of the extrinsic gas atoms and their accumulation at vacancies is studied using a kinetic Monte Carlo algorithm that is parameterized by the migration energies of the point defect entities. First-order reaction kinetics are observed when gas clusters with vacancies. If gas-gas clustering is allowed, mixed-order diffusion limited kinetics are observed. When dissociation of gas from clusters is allowed, gas-vacancy clusters survive to steady state while gas-gas clusters dissolve. We obtain cluster size distributions and reaction rate constants that can be used to quantify microstructural evolution of the irradiated metal.

AB - We study the mechanisms by which gas atoms such as helium and hydrogen diffuse and interact with other defects in bcc metals and investigate the effect of these mechanisms on the nucleation of embryonic gas bubbles. Large quantities of helium and hydrogen are produced due to spallation and transmutation in structural materials in fusion and accelerator-driven reactors. The long time evolution of the extrinsic gas atoms and their accumulation at vacancies is studied using a kinetic Monte Carlo algorithm that is parameterized by the migration energies of the point defect entities. First-order reaction kinetics are observed when gas clusters with vacancies. If gas-gas clustering is allowed, mixed-order diffusion limited kinetics are observed. When dissociation of gas from clusters is allowed, gas-vacancy clusters survive to steady state while gas-gas clusters dissolve. We obtain cluster size distributions and reaction rate constants that can be used to quantify microstructural evolution of the irradiated metal.

KW - First wall materials

KW - Helium

KW - Kinetics

KW - Radiation effects

KW - Structural materials

KW - Theory and modeling

UR - http://www.scopus.com/inward/record.url?scp=62849119566&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=62849119566&partnerID=8YFLogxK

M3 - Conference contribution

AN - SCOPUS:62849119566

SN - 9780803134218

VL - 1492 STP

SP - 177

EP - 189

BT - Effects of Radiation on Materials

PB - ASTM International

ER -