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Volumn 55, Issue 11, 2010, Pages 5149-5155

Solid-liquid interfacial energy and melting properties of nickel under pressure from molecular dynamics

Author keywords

[No Author keywords available]

Indexed keywords

AMBIENT PRESSURES; CLOSE PROXIMITY; DIAMOND-ANVIL CELL; EXPERIMENT VALUES; FUNCTION OF PRESSURE; MELTING PROPERTIES; MELTING TEMPERATURES; MOLECULAR DYNAMICS SIMULATIONS; SOLID-LIQUID COEXISTENCE; SOLID-LIQUID INTERFACIAL ENERGY; THERMAL EQUATIONS; THERMAL EXPANSIVITY;

EID: 78449287288     PISSN: 00219568     EISSN: 15205134     Source Type: Journal    
DOI: 10.1021/je1007058     Document Type: Article
Times cited : (31)

References (50)
  • 1
    • 0002583821 scopus 로고
    • Acoustic Velocities and Phase Transitions in Molybdenum under Strong Shock Compression
    • Hixson, R. S.; Boness, D. A.; Shaner, J. W.; Moriarty, J. A. Acoustic Velocities and Phase Transitions in Molybdenum under Strong Shock Compression Phys. Rev. Lett. 1989, 62, 637
    • (1989) Phys. Rev. Lett. , vol.62 , pp. 637
    • Hixson, R.S.1    Boness, D.A.2    Shaner, J.W.3    Moriarty, J.A.4
  • 2
    • 0027503753 scopus 로고
    • Laser-Heated Anvil Cell Experiments at High Pressure: Melting Curve of Nickel up to 700 kbar
    • Lazor, P.; Shen, G.; Saxena, S. K. Laser-Heated Anvil Cell Experiments at High Pressure: Melting Curve of Nickel up to 700 kbar Phys. Chem. Miner. 1993, 20, 86
    • (1993) Phys. Chem. Miner. , vol.20 , pp. 86
    • Lazor, P.1    Shen, G.2    Saxena, S.K.3
  • 5
    • 0344034255 scopus 로고    scopus 로고
    • Melting of tantalum at high pressure determined by angle dispersive X-ray diffraction in a double-sided laser-heated diamond-anvil cell
    • Errandonea, D.; Somayazulu, M.; Usermann, D. H.; Mao, H. K. Melting of tantalum at high pressure determined by angle dispersive X-ray diffraction in a double-sided laser-heated diamond-anvil cell J. Phys.: Condens. Matter 2003, 15, 7635
    • (2003) J. Phys.: Condens. Matter , vol.15 , pp. 7635
    • Errandonea, D.1    Somayazulu, M.2    Usermann, D.H.3    Mao, H.K.4
  • 6
    • 10244276999 scopus 로고    scopus 로고
    • Comment on 'Theoretical solid and liquid state shock Hugoniots of Al, Ta, Mo and W'
    • Errandonea, D. Comment on 'Theoretical solid and liquid state shock Hugoniots of Al, Ta, Mo and W' J. Phys.: Condens. Matter 2004, 16, 8801
    • (2004) J. Phys.: Condens. Matter , vol.16 , pp. 8801
    • Errandonea, D.1
  • 7
    • 28844488859 scopus 로고    scopus 로고
    • Melting of Copper and Nickel at High Pressure: The Role of d Electrons
    • Japel, S.; Schwager, B.; Boehler, R.; Ross, M. Melting of Copper and Nickel at High Pressure: The Role of d Electrons Phys. Rev. Lett. 2005, 95, 167801
    • (2005) Phys. Rev. Lett. , vol.95 , pp. 167801
    • Japel, S.1    Schwager, B.2    Boehler, R.3    Ross, M.4
  • 8
    • 77953741185 scopus 로고    scopus 로고
    • High melting points of tantalum in a Laser-Haeted Diamond Anvil Cell
    • Dewaele, A.; Mezouar, M.; Guignot, N.; Loubeyre, P. High melting points of tantalum in a Laser-Haeted Diamond Anvil Cell Phys. Rev. Lett. 2010, 104, 255701
    • (2010) Phys. Rev. Lett. , vol.104 , pp. 255701
    • Dewaele, A.1    Mezouar, M.2    Guignot, N.3    Loubeyre, P.4
  • 10
    • 0344440790 scopus 로고    scopus 로고
    • Maximum superheating and undercooling: Systematics, molecular dynamics simulations, and dynamic experiments
    • Luo, S. N.; Ahrens, T. J.; Cagin, T.; Strachan, A.; Goddard, W. A., III; Swift, D. C. Maximum superheating and undercooling: Systematics, molecular dynamics simulations, and dynamic experiments Phys. Rev. B 2003, 68, 134206
    • (2003) Phys. Rev. B , vol.68 , pp. 134206
    • Luo, S.N.1    Ahrens, T.J.2    Cagin, T.3    Strachan, A.4    Swift, D.C.5
  • 13
    • 3242706176 scopus 로고    scopus 로고
    • Theoretical solid and liquid state shock Hugoniots of Al, Ta, Mo and W
    • Verma, A. K.; Rao, R. S.; Godwal, B. K. Theoretical solid and liquid state shock Hugoniots of Al, Ta, Mo and W J. Phys.: Condens. Matter 2004, 16, 4799
    • (2004) J. Phys.: Condens. Matter , vol.16 , pp. 4799
    • Verma, A.K.1    Rao, R.S.2    Godwal, B.K.3
  • 14
    • 34249094211 scopus 로고    scopus 로고
    • Ab initio melting curve of molybdenum by the phase coexistence method
    • Cazorla, C.; Gillan, M. J.; Taioli, S.; Alfè, D. Ab initio melting curve of molybdenum by the phase coexistence method J. Chem. Phys. 2007, 126, 194502
    • (2007) J. Chem. Phys. , vol.126 , pp. 194502
    • Cazorla, C.1    Gillan, M.J.2    Taioli, S.3    Alfè, D.4
  • 15
    • 33751234971 scopus 로고    scopus 로고
    • On high-pressure melting of tantalum
    • Luo, S. N.; Swift, D. C. On high-pressure melting of tantalum Physica B 2007, 388, 139
    • (2007) Physica B , vol.388 , pp. 139
    • Luo, S.N.1    Swift, D.C.2
  • 16
    • 34347386743 scopus 로고    scopus 로고
    • Melting curve of tantalum from first principles
    • Taioli, S.; Cazorla, C.; Gillan, M. J.; Alfè, D. Melting curve of tantalum from first principles Phys. Rev. B 2007, 75, 214103
    • (2007) Phys. Rev. B , vol.75 , pp. 214103
    • Taioli, S.1    Cazorla, C.2    Gillan, M.J.3    Alfè, D.4
  • 17
    • 38049001886 scopus 로고    scopus 로고
    • Molecular dynamics simulations of the melting curve of tantalum under pressure
    • 024103
    • Liu, Z. L.; Cai, L. C.; Chen, X. R.; Jing, F. Q. Molecular dynamics simulations of the melting curve of tantalum under pressure Phys. Rev. B 2008, 77 024103
    • (2008) Phys. Rev. B , vol.77
    • Liu, Z.L.1    Cai, L.C.2    Chen, X.R.3    Jing, F.Q.4
  • 18
    • 85029578512 scopus 로고    scopus 로고
    • Melting of transition metals at high pressure and the influence of liquid frustration: The late metals Cu, Ni, and Fe
    • Ross, M.; Boehler, R.; Errandonea, D. Melting of transition metals at high pressure and the influence of liquid frustration: The late metals Cu, Ni, and Fe Phys. Rev. B 2007, 76, 184117
    • (2007) Phys. Rev. B , vol.76 , pp. 184117
    • Ross, M.1    Boehler, R.2    Errandonea, D.3
  • 20
    • 0033325853 scopus 로고    scopus 로고
    • Calculation of mechanical, thermodynamic and transport properties of metallic glass formers
    • Cagin, T.; Qi, Y.; Li, H.; Kimura, Y.; Ikeda, H.; Johnson, W. L.; Goddard, W. A., III. Calculation of mechanical, thermodynamic and transport properties of metallic glass formers MRS Symp. Ser. 1999, 554, 43-48
    • (1999) MRS Symp. Ser. , vol.554 , pp. 43-48
    • Cagin, T.1    Qi, Y.2    Li, H.3    Kimura, Y.4    Ikeda, H.5    Johnson, W.L.6
  • 21
    • 0001247567 scopus 로고    scopus 로고
    • Quasi- Ab Initio Molecular Dynamic Study of Fe Melting
    • Belonoshko, A. B.; Ahuja, R.; Johansson, B. Quasi- Ab Initio Molecular Dynamic Study of Fe Melting Phys. Rev. Lett. 2000, 84, 16
    • (2000) Phys. Rev. Lett. , vol.84 , pp. 16
    • Belonoshko, A.B.1    Ahuja, R.2    Johansson, B.3
  • 22
    • 84867491770 scopus 로고    scopus 로고
    • Thermoelastic properties of nickel from molecular dynamic simulations
    • Luo, F.; Chen, X. R.; Cai, L. C.; Wu, Q. Thermoelastic properties of nickel from molecular dynamic simulations J. At. Mol. Sci. 2010, 2, 10
    • (2010) J. At. Mol. Sci. , vol.2 , pp. 10
    • Luo, F.1    Chen, X.R.2    Cai, L.C.3    Wu, Q.4
  • 23
    • 0000472825 scopus 로고
    • Melting line of aluminum from simulations of coexisting phases
    • Morris, J. R.; Wang, C. Z.; Ho, K. M.; Chan, C. T. Melting line of aluminum from simulations of coexisting phases Phys. Rev. B 1994, 49, 3109
    • (1994) Phys. Rev. B , vol.49 , pp. 3109
    • Morris, J.R.1    Wang, C.Z.2    Ho, K.M.3    Chan, C.T.4
  • 24
    • 0036607099 scopus 로고    scopus 로고
    • The melting lines of model systems calculated from coexistence simulations
    • Morris, J. R.; Song, X. The melting lines of model systems calculated from coexistence simulations J. Chem. Phys. 2002, 116, 9352
    • (2002) J. Chem. Phys. , vol.116 , pp. 9352
    • Morris, J.R.1    Song, X.2
  • 26
    • 0029730015 scopus 로고    scopus 로고
    • Molecular dynamics of NaCl (B1 and B2) and MgO (B1) melting; Two-phase simulation
    • Belonoshko, A. B.; Dubrovinsky, L. S. Molecular dynamics of NaCl (B1 and B2) and MgO (B1) melting; two-phase simulation Am. Mineral. 1996, 81, 303
    • (1996) Am. Mineral. , vol.81 , pp. 303
    • Belonoshko, A.B.1    Dubrovinsky, L.S.2
  • 27
    • 4944222822 scopus 로고    scopus 로고
    • Molecular dynamics simulation for evaluating melting point of wurtzite-type GaN crystal
    • Harfuji, K.; Tsuchiya, T.; Kawamura, K. Molecular dynamics simulation for evaluating melting point of wurtzite-type GaN crystal J. Appl. Phys. 2004, 96, 2501
    • (2004) J. Appl. Phys. , vol.96 , pp. 2501
    • Harfuji, K.1    Tsuchiya, T.2    Kawamura, K.3
  • 29
    • 0035844532 scopus 로고    scopus 로고
    • Method for Computing the Anisotropy of the Solid-Liquid Interfacial Free Energy
    • Hoyt, J. J.; Asta, M.; Karma, A. Method for Computing the Anisotropy of the Solid-Liquid Interfacial Free Energy Phys. Rev. Lett. 2001, 86, 5530
    • (2001) Phys. Rev. Lett. , vol.86 , pp. 5530
    • Hoyt, J.J.1    Asta, M.2    Karma, A.3
  • 30
    • 72749094306 scopus 로고    scopus 로고
    • Computer simulation studies of finite-size broadening of solid-liquid interfaces: From hard spheres to nickel
    • Zykova-Timan, T.; Rozas, R. E.; Horbach, J.; Binder, K. Computer simulation studies of finite-size broadening of solid-liquid interfaces: from hard spheres to nickel J. Phys.: Condens. Matter 2009, 21, 464102
    • (2009) J. Phys.: Condens. Matter , vol.21 , pp. 464102
    • Zykova-Timan, T.1    Rozas, R.E.2    Horbach, J.3    Binder, K.4
  • 34
    • 2442430917 scopus 로고    scopus 로고
    • Nonequilibrium melting and crystallization of a model Lennard-Jones system
    • Luo, S. N.; Strachan, A.; Swift, D. C. Nonequilibrium melting and crystallization of a model Lennard-Jones system J. Chem. Phys. 2004, 120, 11640
    • (2004) J. Chem. Phys. , vol.120 , pp. 11640
    • Luo, S.N.1    Strachan, A.2    Swift, D.C.3
  • 35
    • 0037464191 scopus 로고    scopus 로고
    • Superheating systematics of crystalline solids
    • Luo, S. N.; Ahrens, T. J. Superheating systematics of crystalline solids Appl. Phys. Lett. 2003, 82, 1836
    • (2003) Appl. Phys. Lett. , vol.82 , pp. 1836
    • Luo, S.N.1    Ahrens, T.J.2
  • 36
    • 34547555215 scopus 로고    scopus 로고
    • Molecular dynamic simulations of melting and glass transition of nitromethane
    • Zheng, L.; Luo, S. N.; Thompson, D. L. Molecular dynamic simulations of melting and glass transition of nitromethane J. Chem. Phys. 2006, 124, 154504
    • (2006) J. Chem. Phys. , vol.124 , pp. 154504
    • Zheng, L.1    Luo, S.N.2    Thompson, D.L.3
  • 37
    • 33744603391 scopus 로고    scopus 로고
    • Atomistic Simulation of Shock Wave-Induced Melting in Argon
    • Belonoshko, A. B. Atomistic Simulation of Shock Wave-Induced Melting in Argon Science 1997, 278, 1475
    • (1997) Science , vol.278 , pp. 1475
    • Belonoshko, A.B.1
  • 38
    • 1942521768 scopus 로고    scopus 로고
    • Ab initio molecular dynamics simulations of local structure of supercooled Ni
    • Jakse, N.; Pasturel, A. Ab initio molecular dynamics simulations of local structure of supercooled Ni J. Chem. Phys. 2004, 120, 6124
    • (2004) J. Chem. Phys. , vol.120 , pp. 6124
    • Jakse, N.1    Pasturel, A.2
  • 39
    • 29844432157 scopus 로고    scopus 로고
    • Molecular-dynamics study of liquid nickel above and below the melting point
    • Jakse, N.; Pasturel, A. Molecular-dynamics study of liquid nickel above and below the melting point J. Chem. Phys. 2005, 123, 244512
    • (2005) J. Chem. Phys. , vol.123 , pp. 244512
    • Jakse, N.1    Pasturel, A.2
  • 40
    • 0346846617 scopus 로고    scopus 로고
    • Local Order of Liquid and Supercooled Zirconium by Ab Initio Molecular Dynamics
    • Jakse, N.; Pasturel, A. Local Order of Liquid and Supercooled Zirconium by Ab Initio Molecular Dynamics Phys. Rev. Lett. 2003, 91, 195501
    • (2003) Phys. Rev. Lett. , vol.91 , pp. 195501
    • Jakse, N.1    Pasturel, A.2
  • 41
    • 12244310187 scopus 로고    scopus 로고
    • Prediction of the local structure of liquid and supercooled tantalum
    • Jakse, N.; Bacq, O. L.; Pasturel, A. Prediction of the local structure of liquid and supercooled tantalum Phys. Rev. B 2004, 70, 174203
    • (2004) Phys. Rev. B , vol.70 , pp. 174203
    • Jakse, N.1    Bacq, O.L.2    Pasturel, A.3
  • 43
    • 48249133304 scopus 로고    scopus 로고
    • Comment on "Molybdenum at High Pressure and Temperature: Melting from Another Solid Phase"
    • 049601
    • Cazorla, C.; Alfè, D.; Gillan, M. J. Comment on "Molybdenum at High Pressure and Temperature: Melting from Another Solid Phase" Phys. Rev. Lett. 2008, 101 049601
    • (2008) Phys. Rev. Lett. , vol.101
    • Cazorla, C.1    Alfè, D.2    Gillan, M.J.3
  • 45
    • 51349109277 scopus 로고    scopus 로고
    • Compression curves of transition metals in the Mbar range: Experiments and projector augmented-wave calculations
    • Dewaele, A.; Torrent, M.; Loubeyre, P.; Mezouar, M. Compression curves of transition metals in the Mbar range: Experiments and projector augmented-wave calculations Phys. Rev. B 2008, 78, 104102
    • (2008) Phys. Rev. B , vol.78 , pp. 104102
    • Dewaele, A.1    Torrent, M.2    Loubeyre, P.3    Mezouar, M.4
  • 46
    • 0030123698 scopus 로고    scopus 로고
    • High-temperature thermal expansion of binary alloys of Ni with Cr, Mo and Re: A comparison with molecular dynamics simulations
    • Pavlovic, A. S.; Babu, V. S.; Seehra, M. S. High-temperature thermal expansion of binary alloys of Ni with Cr, Mo and Re: a comparison with molecular dynamics simulations J. Phys.: Condens. Matter 1996, 8, 3139
    • (1996) J. Phys.: Condens. Matter , vol.8 , pp. 3139
    • Pavlovic, A.S.1    Babu, V.S.2    Seehra, M.S.3
  • 48
    • 0347221150 scopus 로고
    • Measurement of the thermal-expansion coefficient of nickel from 300 to 1000 K and determination of the power-law constants near the Curie temperature
    • Kollie, T. G. Measurement of the thermal-expansion coefficient of nickel from 300 to 1000 K and determination of the power-law constants near the Curie temperature Phys. Rev. B 1977, 16, 4872
    • (1977) Phys. Rev. B , vol.16 , pp. 4872
    • Kollie, T.G.1
  • 49
    • 0000190951 scopus 로고    scopus 로고
    • Homogeneous Nucleation Catastrophe as a Kinetic Stability Limit for Superheated Crystal
    • Lu, K.; Li, Y. Homogeneous Nucleation Catastrophe as a Kinetic Stability Limit for Superheated Crystal Phys. Rev. Lett. 1998, 80, 4474
    • (1998) Phys. Rev. Lett. , vol.80 , pp. 4474
    • Lu, K.1    Li, Y.2


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