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Volumn 133, Issue 8, 2010, Pages

A parameter-free prediction of simulated crystal nucleation times in the Lennard-Jones system: From the steady-state nucleation to the transient time regime

Author keywords

[No Author keywords available]

Indexed keywords

CRITICAL NUCLEI; CRYSTAL NUCLEATION; EQUILIBRIUM SIMULATIONS; FINITE SIZE EFFECT; LARGE SCALE SIMULATIONS; LARGE SYSTEM SIZE; LENNARD-JONES POTENTIAL; LENNARD-JONES SYSTEMS; PARAMETER FITTING; STEADY-STATE NUCLEATION; SYSTEM SIZE; TRANSIENT TIME; UNDERCOOLINGS;

EID: 77956316433     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3472301     Document Type: Article
Times cited : (23)

References (47)
  • 2
    • 36849125432 scopus 로고
    • JAPIAU 0021-8979 10.1063/1.1699763
    • D. Turnbull and R. E. Cech, J. Appl. Phys. JAPIAU 0021-8979 21, 804 (1950). 10.1063/1.1699763
    • (1950) J. Appl. Phys. , vol.21 , pp. 804
    • Turnbull, D.1    Cech, E.R.2
  • 3
    • 8344274270 scopus 로고
    • SSPHAE 0081-1947,. 10.1016/S0081-1947(08)60144-7
    • K. F. Kelton, Solid State Phys. SSPHAE 0081-1947 45, 75 (1991). 10.1016/S0081-1947(08)60144-7
    • (1991) Solid State Phys. , vol.45 , pp. 75
    • Kelton, K.F.1
  • 4
    • 0035853528 scopus 로고    scopus 로고
    • Real-space imaging of nucleation and growth in colloidal crystallization
    • DOI 10.1126/science.1058457
    • U. Gasser, E. R. Weeks, A. Schofield, P. N. Pusey, and D. A. Weitz, Science SCIEAS 0036-8075 292, 258 (2001). 10.1126/science.1058457 (Pubitemid 32295378)
    • (2001) Science , vol.292 , Issue.5515 , pp. 258-262
    • Gasser, U.1    Weeks, E.R.2    Schofield, A.3    Pusey, P.N.4    Weitz, D.A.5
  • 5
    • 36449001398 scopus 로고
    • JCPSA6 0021-9606,. 10.1063/1.469225
    • L. A. Báez and P. Clancy, J. Chem. Phys. JCPSA6 0021-9606 102, 8138 (1995). 10.1063/1.469225
    • (1995) J. Chem. Phys. , vol.102 , pp. 8138
    • Báez, L.A.1    Clancy, P.2
  • 6
    • 20544452729 scopus 로고    scopus 로고
    • Test of classical nucleation theory via molecular-dynamics simulation
    • DOI 10.1063/1.1931661, 224510
    • X. M. Bai and M. Li, J. Chem. Phys. JCPSA6 0021-9606 122, 224510 (2005). 10.1063/1.1931661 (Pubitemid 40844900)
    • (2005) Journal of Chemical Physics , vol.122 , Issue.22 , pp. 1-3
    • Bai, X.-M.1    Li, M.2
  • 7
    • 34547649123 scopus 로고    scopus 로고
    • JCPSA6 0021-9606,. 10.1063/1.2184315
    • X. M. Bai and M. Li, J. Chem. Phys. JCPSA6 0021-9606 124, 124707 (2006). 10.1063/1.2184315
    • (2006) J. Chem. Phys. , vol.124 , pp. 124707
    • Bai, X.M.1    Li, M.2
  • 8
    • 0035844532 scopus 로고    scopus 로고
    • Method for computing the anisotropy of the solid-liquid interfacial free energy
    • DOI 10.1103/PhysRevLett.86.5530
    • J. J. Hoyt, M. Asta, and A. Karma, Phys. Rev. Lett. PRLTAO 0031-9007 86, 5530 (2001) 10.1103/PhysRevLett.86.5530 (Pubitemid 32548958)
    • (2001) Physical Review Letters , vol.86 , Issue.24 , pp. 5530-5533
    • Hoyt, J.J.1    Asta, M.2    Karma, A.3
  • 9
    • 33745136115 scopus 로고    scopus 로고
    • Molecular dynamics simulations of the crystal-melt interfacial free energy and mobility in Mo and V
    • DOI 10.1080/14786430500156625, PII Q275400X64582141
    • J. J. Hoyt, M. Asta, and D. Y. Sun, Philos. Mag. PMHABF 1478-6435 86, 3651 (2006) 10.1080/14786430500156625 (Pubitemid 43898452)
    • (2006) Philosophical Magazine , vol.86 , Issue.24 , pp. 3651-3664
    • Hoyt, J.J.1    Asta, M.2    Sun, D.Y.3
  • 10
    • 18244403156 scopus 로고    scopus 로고
    • Crystal structure and interaction dependence of the crystal-melt interfacial free energy
    • DOI 10.1103/PhysRevLett.94.086102, 086102
    • R. L. Davidchack and B. B. Laird, Phys. Rev. Lett. PRLTAO 0031-9007 94, 086102 (2005) 10.1103/PhysRevLett.94.086102 (Pubitemid 40629920)
    • (2005) Physical Review Letters , vol.94 , Issue.8 , pp. 1-4
    • Davidchack, R.L.1    Laird, B.B.2
  • 11
    • 33748560539 scopus 로고    scopus 로고
    • The anisotropic hard-sphere crystal-melt interfacial free energy from fluctuations
    • DOI 10.1063/1.2338303
    • R. L. Davidchack, J. R. Morris, and B. B. Laird, J. Chem. Phys. JCPSA6 0021-9606 125, 094710 (2006) 10.1063/1.2338303 (Pubitemid 44370736)
    • (2006) Journal of Chemical Physics , vol.125 , Issue.9 , pp. 094710
    • Davidchack, R.L.1    Morris, J.R.2    Laird, B.B.3
  • 12
    • 0038572196 scopus 로고    scopus 로고
    • PLRBAQ 0556-2805 10.1103/PhysRevB.66.144104
    • J. R. Morris, Phys. Rev. B PLRBAQ 0556-2805 66, 144104 (2002) 10.1103/PhysRevB.66.144104
    • (2002) Phys. Rev. B , vol.66 , pp. 144104
    • Morris, J.R.1
  • 13
    • 0036640926 scopus 로고    scopus 로고
    • The anisotropic free energy of the solid-liquid phase boundary in Al
    • DOI 10.1023/A:1015800629100
    • J. R. Morris, Z. Y. Lu, Y. Y. Ye, and K. M. Ho, Interface Sci. INSCE9 0927-7056 10, 143 (2002). 10.1023/A:1015800629100 (Pubitemid 34798777)
    • (2002) Interface Science , vol.10 , Issue.2-3 , pp. 143-148
    • Morris, J.R.1    Lu, Z.Y.2    Ye, Y.Y.3    Ho, K.M.4
  • 14
    • 0034314556 scopus 로고    scopus 로고
    • Direct calculation of the hard-sphere crystal/melt interfacial free energy
    • DOI 10.1103/PhysRevLett.85.4751
    • R. L. Davidchack and B. B. Laird, Phys. Rev. Lett. PRLTAO 0031-9007 85, 4751 (2000). 10.1103/PhysRevLett.85.4751 (Pubitemid 32070413)
    • (2000) Physical Review Letters , vol.85 , Issue.22 , pp. 4751-4754
    • Davidchack, R.L.1    Laird, B.B.2
  • 15
    • 0038060680 scopus 로고    scopus 로고
    • JCPSA6 0021-9606,. 10.1063/1.1563248
    • R. L. Davidchack and B. B. Laird, J. Chem. Phys. JCPSA6 0021-9606 118, 7651 (2003). 10.1063/1.1563248
    • (2003) J. Chem. Phys. , vol.118 , pp. 7651
    • Davidchack, R.L.1    Laird, B.B.2
  • 16
    • 0042378882 scopus 로고    scopus 로고
    • JCPSA6 0021-9606,. 10.1063/1.1591725
    • J. R. Morris and X. Song, J. Chem. Phys. JCPSA6 0021-9606 119, 3920 (2003). 10.1063/1.1591725
    • (2003) J. Chem. Phys. , vol.119 , pp. 3920
    • Morris, J.R.1    Song, X.2
  • 18
    • 0345098314 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1618213
    • L. Gránásy, T. Pusztai, G. Tóth, Z. Jurek J. Chem. Phys. JCPSA6 0021-9606 119 10376 2003 10.1063/1.1618213
    • (2003) J. Chem. Phys. , vol.119 , pp. 10376
    • Gránásy, L.1
  • 22
    • 0037045175 scopus 로고    scopus 로고
    • JCPSA6 0021-9606,. 10.1063/1.1519862
    • L. Granasy and T. Pusztai, J. Chem. Phys. JCPSA6 0021-9606 117, 10121 (2002). 10.1063/1.1519862
    • (2002) J. Chem. Phys. , vol.117 , pp. 10121
    • Granasy, L.1    Pusztai, T.2
  • 23
    • 0035931881 scopus 로고    scopus 로고
    • Prediction of absolute crystal-nucleation rate in hard-sphere colloids
    • DOI 10.1038/35059035
    • S. Auer and D. Frenkel, Nature (London) NATUAS 0028-0836 409, 1020 (2001). 10.1038/35059035 (Pubitemid 32204049)
    • (2001) Nature , vol.409 , Issue.6823 , pp. 1020-1023
    • Auer, S.1    Frenkel, D.2
  • 24
    • 33745321167 scopus 로고    scopus 로고
    • Quantitative parameter-free prediction of simulated crystal-nucleation times
    • DOI 10.1103/PhysRevLett.96.245701
    • R. S. Aga, J. R. Morris, J. J. Hoyt, and M. Mendelev, Phys. Rev. Lett. PRLTAO 0031-9007 96, 245701 (2006). 10.1103/PhysRevLett.96.245701 (Pubitemid 43938977)
    • (2006) Physical Review Letters , vol.96 , Issue.24 , pp. 245701
    • Aga, R.S.1    Morris, J.R.2    Hoyt, J.J.3    Mendelev, M.4
  • 26
    • 0000553749 scopus 로고
    • CHPLBC 0009-2614 10.1016/0009-2614(84)85049-6
    • J. D. Honeycutt and H. C. Andersen, Chem. Phys. Lett. CHPLBC 0009-2614 108, 535 (1984). 10.1016/0009-2614(84)85049-6
    • (1984) Chem. Phys. Lett. , vol.108 , pp. 535
    • Honeycutt, J.D.1    Andersen, C.H.2
  • 27
    • 26344447509 scopus 로고
    • PLRBAQ 0556-2805,. 10.1103/PhysRevB.41.7042
    • W. C. Swope and H. C. Andersen, Phys. Rev. B PLRBAQ 0556-2805 41, 7042 (1990). 10.1103/PhysRevB.41.7042
    • (1990) Phys. Rev. B , vol.41 , pp. 7042
    • Swope, W.C.1    Andersen, H.C.2
  • 28
    • 33745014662 scopus 로고    scopus 로고
    • Beyond finite-size scaling in solidification simulations
    • DOI 10.1103/PhysRevLett.96.225701
    • F. H. Streitz, J. N. Glosli, and M. V. Patel, Phys. Rev. Lett. PRLTAO 0031-9007 96, 225701 (2006). 10.1103/PhysRevLett.96.225701 (Pubitemid 43876516)
    • (2006) Physical Review Letters , vol.96 , Issue.22 , pp. 225701
    • Streitz, F.H.1    Glosli, J.N.2    Patel, M.V.3
  • 29
    • 33744673440 scopus 로고
    • JPCHAX 0022-3654,. 10.1021/j100399a026
    • J. D. Honeycutt and H. C. Andersen, J. Phys. Chem. JPCHAX 0022-3654 90, 1585 (1986). 10.1021/j100399a026
    • (1986) J. Phys. Chem. , vol.90 , pp. 1585
    • Honeycutt, J.D.1    Andersen, H.C.2
  • 31
    • 0001230838 scopus 로고
    • PRLTAO 0031-9007,. 10.1103/PhysRevLett.41.702
    • S. Alexander and J. McTague, Phys. Rev. Lett. PRLTAO 0031-9007 41, 702 (1978). 10.1103/PhysRevLett.41.702
    • (1978) Phys. Rev. Lett. , vol.41 , pp. 702
    • Alexander, S.1    McTague, J.2
  • 33
    • 4243216446 scopus 로고    scopus 로고
    • PRLTAO 0031-9007,. 10.1103/PhysRevLett.77.3585
    • Y. C. Shen and D. W. Oxtoby, Phys. Rev. Lett. PRLTAO 0031-9007 77, 3585 (1996). 10.1103/PhysRevLett.77.3585
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3585
    • Shen, Y.C.1    Oxtoby, D.W.2
  • 35
    • 34547363814 scopus 로고    scopus 로고
    • Controlling polymorphism during the crystallization of an atomic fluid
    • DOI 10.1103/PhysRevLett.98.235502
    • C. Desgranges and J. Delhommelle, Phys. Rev. Lett. PRLTAO 0031-9007 98, 235502 (2007). 10.1103/PhysRevLett.98.235502 (Pubitemid 47139784)
    • (2007) Physical Review Letters , vol.98 , Issue.23 , pp. 235502
    • Desgranges, C.1    Delhommelle, J.2
  • 36
    • 33748517436 scopus 로고    scopus 로고
    • Freezing of a Lennard-Jones fluid: From nucleation to spinodal regime
    • DOI 10.1103/PhysRevLett.97.105701
    • F. Trudu, D. Donadio, and M. Parrinello, Phys. Rev. Lett. PRLTAO 0031-9007 97, 105701 (2006) 10.1103/PhysRevLett.97.105701 (Pubitemid 44359794)
    • (2006) Physical Review Letters , vol.97 , Issue.10 , pp. 105701
    • Trudu, F.1    Donadio, D.2    Parrinello, M.3
  • 37
    • 4243420549 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.60.2665
    • J. X. Yang, H. Gould, and W. Klein, Phys. Rev. Lett. PRLTAO 0031-9007 60, 2665 (1988) 10.1103/PhysRevLett.60.2665
    • (1988) Phys. Rev. Lett. , vol.60 , pp. 2665
    • Yang, J.X.1    Gould, H.2    Klein, W.3
  • 38
  • 39
    • 0036607099 scopus 로고    scopus 로고
    • The melting lines of model systems calculated from coexistence simulations
    • DOI 10.1063/1.1474581
    • J. R. Morris and X. Y. Song, J. Chem. Phys. JCPSA6 0021-9606 116, 9352 (2002). 10.1063/1.1474581 (Pubitemid 34632523)
    • (2002) Journal of Chemical Physics , vol.116 , Issue.21 , pp. 9352-9358
    • Morris, J.R.1    Song, X.2
  • 40
    • 84946647889 scopus 로고
    • MOPHAM 0026-8976,. 10.1080/00268979500100921
    • R. Agrawal and D. A. Kofke, Mol. Phys. MOPHAM 0026-8976 85, 43 (1995). 10.1080/00268979500100921
    • (1995) Mol. Phys. , vol.85 , pp. 43
    • Agrawal, R.1    Kofke, D.A.2
  • 41
    • 47349088203 scopus 로고    scopus 로고
    • PLRBAQ 0556-2805,. 10.1103/PhysRevB.78.012201
    • L. J. Peng, J. R. Morris, and Y. C. Lo, Phys. Rev. B PLRBAQ 0556-2805 78, 012201 (2008). 10.1103/PhysRevB.78.012201
    • (2008) Phys. Rev. B , vol.78 , pp. 012201
    • Peng, L.J.1    Morris, J.R.2    Lo, Y.C.3
  • 42
    • 36749104753 scopus 로고
    • JCPSA6 0021-9606,. 10.1063/1.445633
    • J. Q. Broughton and G. H. Gilmer, J. Chem. Phys. JCPSA6 0021-9606 79, 5095 (1983). 10.1063/1.445633
    • (1983) J. Chem. Phys. , vol.79 , pp. 5095
    • Broughton, J.Q.1    Gilmer, G.H.2
  • 45
    • 0001079625 scopus 로고
    • PLRAAN 1050-2947,. 10.1103/PhysRevA.41.2101
    • G. Shi, J. H. Seinfeld, and K. Okuyama, Phys. Rev. A PLRAAN 1050-2947 41, 2101 (1990). 10.1103/PhysRevA.41.2101
    • (1990) Phys. Rev. A , vol.41 , pp. 2101
    • Shi, G.1    Seinfeld, J.H.2    Okuyama, K.3


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