메뉴 건너뛰기




Volumn 84, Issue 4, 2011, Pages

Kinetic activation-relaxation technique

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEX MATERIALS; CRYSTALLINE SILICONS; KINETIC MONTE CARLO; LOCAL ENVIRONMENTS; ON-THE-FLY; SAMPLING METHOD; SELF-INTERSTITIAL; SELF-LEARNING; TOPOLOGICAL CLASSIFICATION; TRANSITION STATE;

EID: 80054950760     PISSN: 15393755     EISSN: 15502376     Source Type: Journal    
DOI: 10.1103/PhysRevE.84.046704     Document Type: Article
Times cited : (139)

References (65)
  • 2
  • 3
    • 0036040917 scopus 로고    scopus 로고
    • Extending the time scale in atomistic simulation of materials
    • DOI 10.1146/annurev.matsci.32.112601.141541
    • A. F. Voter, F. Montalenti, and T. C. Germann, Annu. Rev. Mater. Res. ARMRCU 1531-7331 10.1146/annurev.matsci.32.112601.141541 32, 321 (2002). (Pubitemid 34992574)
    • (2002) Annual Review of Materials Science , vol.32 , pp. 321-346
    • Voter, A.F.1    Montalenti, F.2    Germann, T.C.3
  • 4
    • 33644660951 scopus 로고    scopus 로고
    • in edited by K. Sickafus, E. Kotomin, and B. Uberuaga, Vol. 235 (Springer, Dordrecht, Netherlands
    • A. F. Voter, in Radiation Effects in Solids, NATO Science Series, Series II: Mathematics, Physics and Chemistry, edited by, K. Sickafus, E. Kotomin, and, B. Uberuaga, Vol. 235 (Springer, Dordrecht, Netherlands, 2007), pp. 1-23.
    • (2007) Radiation Effects in Solids , pp. 1-23
    • Voter, A.F.1
  • 6
    • 34047271736 scopus 로고    scopus 로고
    • A bottom-up multiscale view of point-defect aggregation in silicon
    • DOI 10.1016/j.jcrysgro.2006.11.278, PII S0022024806016150
    • T. Sinno, J. Cryst. Growth JCRGAE 0022-0248 10.1016/j.jcrysgro.2006.11. 278 303, 5 (2007). (Pubitemid 46550494)
    • (2007) Journal of Crystal Growth , vol.303 , Issue.SPEC. ISS. 1 , pp. 5-11
    • Sinno, T.1
  • 8
    • 0000327364 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.480097
    • G. Henkelman and H. Jónsson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.480097 111, 7010 (1999).
    • (1999) J. Chem. Phys. , vol.111 , pp. 7010
    • Henkelman, G.1    Jónsson, H.2
  • 9
    • 33644625835 scopus 로고    scopus 로고
    • SUSCAS 0039-6028 10.1016/j.susc.2005.12.025
    • F. Hontinfinde, A. Rapallo, and R. Ferrando, Surf. Sci. SUSCAS 0039-6028 10.1016/j.susc.2005.12.025 600, 995 (2006).
    • (2006) Surf. Sci. , vol.600 , pp. 995
    • Hontinfinde, F.1    Rapallo, A.2    Ferrando, R.3
  • 10
    • 2442690480 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1690241
    • T. F. Middleton and D. J. Wales, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1690241 120, 8134 (2004).
    • (2004) J. Chem. Phys. , vol.120 , pp. 8134
    • Middleton, T.F.1    Wales, D.J.2
  • 11
    • 79952923052 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.106.125501
    • Y. Fan, A. Kushima, S. Yip, and B. Yildiz, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.106.125501 106, 125501 (2011).
    • (2011) Phys. Rev. Lett. , vol.106 , pp. 125501
    • Fan, Y.1    Kushima, A.2    Yip, S.3    Yildiz, B.4
  • 12
    • 54449099239 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.78.153202
    • F. El-Mellouhi, N. Mousseau, and L. J. Lewis, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.78.153202 78, 153202 (2008).
    • (2008) Phys. Rev. B , vol.78 , pp. 153202
    • El-Mellouhi, F.1    Mousseau, N.2    Lewis, L.J.3
  • 14
    • 4043157260 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.77.4358
    • G. T. Barkema and N. Mousseau, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.4358 77, 4358 (1996).
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 4358
    • Barkema, G.T.1    Mousseau, N.2
  • 18
    • 0242692574 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.68.125209
    • F. Valiquette and N. Mousseau, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.68.125209 68, 125209 (2003).
    • (2003) Phys. Rev. B , vol.68 , pp. 125209
    • Valiquette, F.1    Mousseau, N.2
  • 21
    • 79960920496 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.83.094119
    • M.-C. Marinica, F. Willaime, and N. Mousseau, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.094119 83, 094119 (2011).
    • (2011) Phys. Rev. B , vol.83 , pp. 094119
    • Marinica, M.-C.1    Willaime, F.2    Mousseau, N.3
  • 24
    • 84986524957 scopus 로고
    • CHPLBC 0009-2614 10.1016/0009-2614(80)80396-4
    • P. Pulay, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(80)80396-4 73, 393 (1980);
    • (1980) Chem. Phys. Lett. , vol.73 , pp. 393
    • Pulay, P.1
  • 25
    • 38849101081 scopus 로고    scopus 로고
    • Some comments on the DIIS method
    • DOI 10.1080/00268970701691611, PII 788612847, A Special Issue in Honour of Professor Peter Pulay
    • R. Shepard and M. Minkoff, Mol. Phys. MOPHAM 0026-8976 10.1080/00268970701691611 105, 2839 (2007). (Pubitemid 351194996)
    • (2007) Molecular Physics , vol.105 , Issue.19-22 , pp. 2839-2848
    • Shepard, R.1    Minkoff, M.2
  • 26
    • 35448990464 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.76.165421
    • H. Yildirim, A. Kara, and T. S. Rahman, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.76.165421 76, 165421 (2007).
    • (2007) Phys. Rev. B , vol.76 , pp. 165421
    • Yildirim, H.1    Kara, A.2    Rahman, T.S.3
  • 27
    • 33749381041 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.49.8522
    • J. A. Stroscio and D. T. Pierce, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.49.8522 49, 8522 (1994).
    • (1994) Phys. Rev. B , vol.49 , pp. 8522
    • Stroscio, J.A.1    Pierce, D.T.2
  • 28
    • 58549118237 scopus 로고    scopus 로고
    • CMMSEM 0927-0256 10.1016/j.commatsci.2008.09.006
    • N. I. Papanicolaou and H. Chamati, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/j.commatsci.2008.09.006 44, 1366 (2009).
    • (2009) Comput. Mater. Sci. , vol.44 , pp. 1366
    • Papanicolaou, N.I.1    Chamati, H.2
  • 30
    • 33750479397 scopus 로고    scopus 로고
    • Exploiting memory in event-based simulations
    • DOI 10.1016/j.jnoncrysol.2006.01.117, PII S002230930600812X
    • M. V. Chubynsky, H. Vocks, G. T. Barkema, and N. Mousseau, J. Non-Cryst. Solids JNCSBJ 0022-3093 10.1016/j.jnoncrysol.2006.01.117 352, 4424 (2006). (Pubitemid 44646959)
    • (2006) Journal of Non-Crystalline Solids , vol.352 , Issue.SPEC. ISS. 42-49 , pp. 4424-4429
    • Chubynsky, M.V.1    Vocks, H.2    Barkema, G.T.3    Mousseau, N.4
  • 33
    • 22944467757 scopus 로고
    • PHRVAO 0031-899X 10.1103/PhysRev.159.98
    • L. Verlet, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.159.98 159, 98 (1967).
    • (1967) Phys. Rev. , vol.159 , pp. 98
    • Verlet, L.1
  • 34
    • 4243754961 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.31.5262
    • F. H. Stillinger and T. A. Weber, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.31.5262 31, 5262 (1985).
    • (1985) Phys. Rev. B , vol.31 , pp. 5262
    • Stillinger, F.H.1    Weber, T.A.2
  • 35
    • 0001262812 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.47.15562
    • D. Maroudas and R. A. Brown, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.47.15562 47, 15562 (1993).
    • (1993) Phys. Rev. B , vol.47 , pp. 15562
    • Maroudas, D.1    Brown, R.A.2
  • 36
    • 36449006306 scopus 로고    scopus 로고
    • Atomistic simulation of point defects in silicon at high temperature
    • DOI 10.1063/1.115566, PII S0003695196041204
    • T. Sinno, Z. K. Jiang, and R. A. Brown, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.115566 68, 3028 (1996). (Pubitemid 126684201)
    • (1996) Applied Physics Letters , vol.68 , Issue.21 , pp. 3028-3030
    • Sinno, T.1    Jiang, Z.K.2    Brown, R.A.3
  • 42
    • 77957885329 scopus 로고    scopus 로고
    • JNUMAM 0022-3115 10.1016/j.jnucmat.2010.05.016
    • L. Malerba, J. Nucl. Mater. JNUMAM 0022-3115 10.1016/j.jnucmat.2010.05. 016 406, 7 (2010).
    • (2010) J. Nucl. Mater. , vol.406 , pp. 7
    • Malerba, L.1
  • 43
    • 33947288963 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.75.104108
    • D. A. Terentyev, L. Malerba, and M. Hou, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.75.104108 75, 104108 (2007).
    • (2007) Phys. Rev. B , vol.75 , pp. 104108
    • Terentyev, D.A.1    Malerba, L.2    Hou, M.3
  • 45
    • 77149166048 scopus 로고    scopus 로고
    • PSSBBD 0370-1972 10.1002/pssb.200945251
    • C. S. Becquart and C. Domain, Phys. Status Solidi B PSSBBD 0370-1972 10.1002/pssb.200945251 247, 9 (2010).
    • (2010) Phys. Status Solidi B , vol.247 , pp. 9
    • Becquart, C.S.1    Domain, C.2
  • 48
    • 77957868728 scopus 로고    scopus 로고
    • JNUMAM 0022-3115 10.1016/j.jnucmat.2010.05.017
    • L. Malerba, J. Nucl. Mater. JNUMAM 0022-3115 10.1016/j.jnucmat.2010.05. 017 406, 19 (2010).
    • (2010) J. Nucl. Mater. , vol.406 , pp. 19
    • Malerba, L.1
  • 50
    • 2942677219 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.92.175503
    • C.-C. Fu, F. Willaime, and P. Ordejón, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.92.175503 92, 175503 (2004).
    • (2004) Phys. Rev. Lett. , vol.92 , pp. 175503
    • Fu, C.-C.1    Willaime, F.2    Ordejón, P.3
  • 51
    • 36149026416 scopus 로고
    • PHRVAO 0031-899X 10.1103/PhysRev.134.A1329
    • R. A. Johnson, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.134.A1329 134, A1329 (1964).
    • (1964) Phys. Rev. , vol.134 , pp. 1329
    • Johnson, R.A.1
  • 52
    • 17944403665 scopus 로고    scopus 로고
    • PHRVAO 1662-9507 10.4028/www.scientific.net/DDF.194-199.775
    • N. Mousseau, Defect Diffus. Forum PHRVAO 1662-9507 10.4028/www. scientific.net/DDF.194-199.775 194-199, 775 (2001).
    • (2001) Defect Diffus. Forum , vol.194-199 , pp. 775
    • Mousseau, N.1
  • 53
    • 0000794344 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.61.1898
    • N. Mousseau and G. T. Barkema, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.61.1898 61, 1898 (2000).
    • (2000) Phys. Rev. B , vol.61 , pp. 1898
    • Mousseau, N.1    Barkema, G.T.2
  • 54
    • 77954928748 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.105.045503
    • H. Kallel, N. Mousseau, and F. Schiettekatte, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.105.045503 105, 045503 (2010).
    • (2010) Phys. Rev. Lett. , vol.105 , pp. 045503
    • Kallel, H.1    Mousseau, N.2    Schiettekatte, F.3
  • 59
    • 31144467954 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.54.1392
    • F. Wooten, K. Winer, and D. Weaire, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.54.1392 54, 1392 (1985).
    • (1985) Phys. Rev. Lett. , vol.54 , pp. 1392
    • Wooten, F.1    Winer, K.2    Weaire, D.3
  • 60
    • 0001036853 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.62.4985
    • G. T. Barkema and N. Mousseau, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.62.4985 62, 4985 (2000).
    • (2000) Phys. Rev. B , vol.62 , pp. 4985
    • Barkema, G.T.1    Mousseau, N.2
  • 63
    • 0002467378 scopus 로고
    • JCTPAH 0021-9991 10.1006/jcph.1995.1039
    • S. Plimpton, J. Comput. Phys. JCTPAH 0021-9991 10.1006/jcph.1995.1039 117, 1 (1995);
    • (1995) J. Comput. Phys. , vol.117 , pp. 1
    • Plimpton, S.1
  • 64
    • 80054898375 scopus 로고    scopus 로고
    • [
    • [http://lammps.sandia.gov].
  • 65
    • 0346914201 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.74.1
    • M. A. Novotny, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.74.1 74, 1 (1995).
    • (1995) Phys. Rev. Lett. , vol.74 , pp. 1
    • Novotny, M.A.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.