Formation volume of atomic vacancies in body-centred cubic metals
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Nobuaki Kurita
Abstract
The formation volume of an atomic vacancy has been calculated by molecular statics simulation by the method originally proposed by Johnson and Brown (1962) for some transition metals of the body-centred cubic structure using several interatomic potentials. The values obtained are in satisfactory agreement with the analytic approximations proposed by Maysenhölder (1986). The formation volume is found to be correlated with Poisson’s ratio of the host crystal.
Acknowledgement
We thank the reviewer of the original manuscript for drawing our attention to the literature on first-principle calculations, and Professor M. Koiwa (Professor Emeritus, Kyoto University) for his continuous interest and encouragement.
References
[1] H. Ullmaier (Ed.): Atomic Defects in Metals, Landolt-Börnstein New Series, Group III, Vol. 25, Springer, Berlin (1991).10.1007/b37800Search in Google Scholar
[2] M.S. Daw, M.I. Baskes: Phys. Rev. B 29 (1984) 6443.10.1103/PhysRevB.29.6443Search in Google Scholar
[3] M.W. Finnis, J.E. Sinclair: Phil. Mag. A 50 (1984) 45.10.1080/01418618408244210Search in Google Scholar
[4] W. Maysenhölder: Phil. Mag. A 53 (1986) 783.10.1080/01418618608245292Search in Google Scholar
[5] R.A. Johnson, E. Brown: Phys. Rev. 127 (1962) 446.10.1103/PhysRev.127.446Search in Google Scholar
[6] J.D. Eshelby: J. Appl. Phys. 25 (1954) 255.10.1063/1.1721615Search in Google Scholar
[7] R.A. Johnson: Phys. Rev. 134 (1964) A1329.10.1103/PhysRev.134.A1329Search in Google Scholar
[8] J.W. Flocken: Phys. Rev. B 2 (1970) 1743.10.1103/PhysRevB.2.1743Search in Google Scholar
[9] C.C. Matthai, D.J. Bacon: Phil. Mag. A 52 (1985) 1.10.1080/01418618508237600Search in Google Scholar
[10] H.-E. Schaefer, in: P.G. Coleman, S.C. Sharma, L.M. Diana (Eds.), Positron Annihilation, North-Holland, Amsterdam (1982) 369.Search in Google Scholar
[11] K. Maier, M. Peo, B. Saile, H.-E. Schaefer, A. Seeger: Phil. Mag. A 40 (1979) 701.10.1080/01418617908234869Search in Google Scholar
[12] G.D. Loper, L.C. Smedskjaer, M.K. Chason, R.W. Siegel, in: P.C. Jain, R.M. Singru, K.P. Gopinathan (Eds.), Positron Annihilation, World Scientific, Singapore (1985) 461.Search in Google Scholar
[13] P. Ehrhart, K.H. Robrock, H.R. Schober, in: R.A. Johnson, A.N. Orlov (Eds.), Physics of Radiation Effects in Crystals, North-Holland, Amsterdam (1986) 3.10.1016/B978-0-444-86946-3.50007-3Search in Google Scholar
[14] T. Korhonen, M.J. Puska, R.M. Nieminen: Phys. Rev. B 51 (1995) 9526.10.1103/PhysRevB.51.9526Search in Google Scholar
[15] B. Meyer, M. Fähnle: Phys. Rev. B 56 (1997) 13595.10.1103/PhysRevB.56.13595Search in Google Scholar
© 2004 Carl Hanser Verlag, München
Articles in the same Issue
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- Editorial
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- Live long and prosper: Long positronium lifetimes in borate glasses
- Atomic defects and diffusion in intermetallic compounds with D03 structure: an ab-initio study
- Relationships between chemical and tracer diffusion coefficients in strongly ionic crystals
- Formation volume of atomic vacancies in body-centred cubic metals
- “Order-order” relaxations in intermetallics
- A new diffusion mechanism for self-compensating impurities in α-alumina
- Self-diffusion behaviour and microstructure of ultrafine-grained Nd2Fe14B with intergranular melting transition
- Tracer diffusion in Pt3Fe ordered alloys
- Intermetallic growth and Kirkendall effect manifestations in Cu/Sn and Au/Sn diffusion couples
- Ionic conductivity of a fragile glass-forming molten salt: Modelling its dependence on frequency, temperature, and pressure
- Some novel applications of sputtering techniques for diffusion studies in solids
- Grain boundary faceting close to the Σ3 coincidence misorientation in copper
- Grain boundary self-diffusion in α-iron of different purity: effect of dislocation enhanced diffusion
- Connection between Fe grain boundary segregation in Al and phase formation in the bulk
- Diffusion in metallic glasses and undercooled metallic melts
- Sculptures depicting the physical processes which govern the plastic deformation of metals and alloys
- Notifications/Mitteilungen
- Personal/Personelles
- Conferences/Konferenzen
Articles in the same Issue
- Contents
- Editorial
- Helmut Mehrer 65 Years
- Articles Basic
- Diffusion in intermetallic compounds: the ordered Cu3Au rule, its history
- Live long and prosper: Long positronium lifetimes in borate glasses
- Atomic defects and diffusion in intermetallic compounds with D03 structure: an ab-initio study
- Relationships between chemical and tracer diffusion coefficients in strongly ionic crystals
- Formation volume of atomic vacancies in body-centred cubic metals
- “Order-order” relaxations in intermetallics
- A new diffusion mechanism for self-compensating impurities in α-alumina
- Self-diffusion behaviour and microstructure of ultrafine-grained Nd2Fe14B with intergranular melting transition
- Tracer diffusion in Pt3Fe ordered alloys
- Intermetallic growth and Kirkendall effect manifestations in Cu/Sn and Au/Sn diffusion couples
- Ionic conductivity of a fragile glass-forming molten salt: Modelling its dependence on frequency, temperature, and pressure
- Some novel applications of sputtering techniques for diffusion studies in solids
- Grain boundary faceting close to the Σ3 coincidence misorientation in copper
- Grain boundary self-diffusion in α-iron of different purity: effect of dislocation enhanced diffusion
- Connection between Fe grain boundary segregation in Al and phase formation in the bulk
- Diffusion in metallic glasses and undercooled metallic melts
- Sculptures depicting the physical processes which govern the plastic deformation of metals and alloys
- Notifications/Mitteilungen
- Personal/Personelles
- Conferences/Konferenzen
