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Stacking fault ener...
Stacking fault energy of face-centered cubic metals : thermodynamic and ab initio approaches
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- Li, Ruihuan (författare)
- KTH,Tillämpad materialfysik,Dalian University of Technology, China,Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, S-10044 Stockholm, Sweden.;Dalian Univ Technol, Sch Phys & Optoelect Technol, Dalian 116024, Peoples R China.;Dalian Univ Technol, Coll Adv Sci & Technol, Dalian 116024, Peoples R China.
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- Lu, Song (författare)
- KTH,Tillämpad materialfysik,University of Turku, Finland,Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, S-10044 Stockholm, Sweden.;Univ Turku, Dept Phys & Astron, FI-20014 Turku, Finland.
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- Kim, Dongyoo (författare)
- KTH,Tillämpad materialfysik,Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, S-10044 Stockholm, Sweden.
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- Schönecker, Stephan (författare)
- KTH,Tillämpad materialfysik,Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, S-10044 Stockholm, Sweden.
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- Zhao, Jijun (författare)
- Dalian Univ Technol, Sch Phys & Optoelect Technol, Dalian 116024, Peoples R China.;Dalian Univ Technol, Coll Adv Sci & Technol, Dalian 116024, Peoples R China.;Dalian Univ Technol, Minist Educ, Key Lab Mat Modificat Laser Electron & Ion Beams, Dalian 116024, Peoples R China.
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- Kwon, Se Kyun (författare)
- Pohang Univ Sci & Technol, Grad Inst Ferrous Technol, Pohang 37673, South Korea.
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- Vitos, Levente (författare)
- Uppsala universitet,KTH,Tillämpad materialfysik,Uppsala University, Sweden,Materialteori,Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, S-10044 Stockholm, Sweden.;Wigner Res Ctr Phys, Inst Solid State Phys & Opt, POB 49, H-1525 Budapest, Hungary.
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(creator_code:org_t)
- 2016-08-03
- 2016
- Engelska.
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Ingår i: Journal of Physics. - : Institute of Physics Publishing (IOPP). - 0953-8984 .- 1361-648X. ; 28:39
- Relaterad länk:
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http://arxiv.org/pdf...
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https://urn.kb.se/re...
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https://doi.org/10.1...
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https://urn.kb.se/re...
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Abstract
Ämnesord
Stäng
- The formation energy of the interface between face-centered cubic (fcc) and hexagonal close packed (hcp) structures is a key parameter in determining the stacking fault energy (SFE) of fcc metals and alloys using thermodynamic calculations. It is often assumed that the contribution of the planar fault energy to the SFE has the same order of magnitude as the bulk part, and thus the lack of precise information about it can become the limiting factor in thermodynamic predictions. Here, we differentiate between the interfacial energy for the coherent fcc(1 1 1)/hcp(0 0 0 1) interface and the 'pseudo-interfacial energy' that enters the thermodynamic expression for the SFE. Using first-principles calculations, we determine the coherent and pseudo-interfacial energies for six elemental metals (A1, Ni, Cu, Ag, Pt, and Au) and three paramagnetic Fe-Cr-Ni alloys. Our results show that the two interfacial energies significantly differ from each other. We observe a strong chemistry dependence for both interfacial energies. The calculated pseudo-interfacial energies for the Fe-Cr-Ni steels agree well with the available literature data. We discuss the effects of strain on the description of planar faults via thermodynamic and ab initio approaches.
Ämnesord
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Nyckelord
- interfacial energy
- stacking fault energy
- ab initio
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- art (ämneskategori)
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