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Journal of Chemical Physics

Volumn 133, Issue 23, 2010, Pages

Hard spheres revisited: Accurate calculation of the solid-liquid interfacial free energy

(1) Davidchack, Ruslan L a

a UNIVERSITY OF LEICESTER (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ROBUST CONTROL; SPHERES;

ACCURATE CALCULATIONS; DIRECT CALCULATION; FLUCTUATIONS METHODS; HARD SPHERE SOLIDS; HARD SPHERES; INDIRECT ESTIMATES; INTERFACIAL FREE ENERGY; NONEQUILIBRIUM WORK;

FREE ENERGY;

EID: 78650691225 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.3514144 Document Type: Article

Times cited : (55)

References (20)

1
- 0034314556
- 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. 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

2
- 18244403156
- 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. 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

3
- 33748560539
- 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. 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

4
- 0017021536
- W. R. Fehlner and S. H. Vosko, Can. J. Phys. 54, 2159 (1976).
- (1976) Can. J. Phys. , vol.54 , pp. 2159
- Fehlner, W.R.¹ Vosko, S.H.²

5
- 0003451443
- (Oxford University Press, Oxford).
- M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford University Press, Oxford, 1987).
- (1987) Computer Simulation of Liquids
- Allen, M.P.¹ Tildesley, D.J.²

6
- 0003705747
- 2nd ed. (Cambridge University Press, New York).
- D. C. Rapaport, The Art of Molecular Dynamics Simulation 2nd ed. (Cambridge University Press, New York, 2004).
- (2004) The Art of Molecular Dynamics Simulation
- Rapaport, D.C.¹

7
- 36749108462
- 10.1063/1.432627
- J. Miyazaki, J. A. Barker, and G. M. Pound, J. Chem. Phys. 64, 3364 (1976). 10.1063/1.432627
- (1976) J. Chem. Phys. , vol.64 , pp. 3364
- Miyazaki, J.¹ Barker, J.A.² Pound, G.M.³

8
- 36549095815
- 10.1063/1.449884
- J. Q. Broughton and G. H. Gilmer, J. Chem. Phys. 84, 5759 (1986). 10.1063/1.449884
- (1986) J. Chem. Phys. , vol.84 , pp. 5759
- Broughton, J.Q.¹ Gilmer, G.H.²

9
- 0038060680
- 10.1063/1.1563248
- R. L. Davidchack and B. B. Laird, J. Chem. Phys. 118, 7651 (2003). 10.1063/1.1563248
- (2003) J. Chem. Phys. , vol.118 , pp. 7651
- Davidchack, R.L.¹ Laird, B.B.²

10
- 4243754128
- 10.1103/PhysRevLett.78.2690
- C. Jarzynski, Phys. Rev. Lett. 78, 2690 (1997). 10.1103/PhysRevLett.78. 2690
- (1997) Phys. Rev. Lett. , vol.78 , pp. 2690
- Jarzynski, C.¹

11
- 4244116139
- 10.1103/PhysRevE.56.5018
- C. Jarzynski, Phys. Rev. E 56, 5018 (1997). 10.1103/PhysRevE.56.5018
- (1997) Phys. Rev. e , vol.56 , pp. 5018
- Jarzynski, C.¹

12
- 0000186593
- 10.1103/PhysRevE.61.2361
- G. E. Crooks, Phys. Rev. E 61, 2361 (2000). 10.1103/PhysRevE.61.2361
- (2000) Phys. Rev. e , vol.61 , pp. 2361
- Crooks, G.E.¹

13
- 0242677537
- 10.1103/PhysRevLett.91.140601
- M. R. Shirts, V. S. Pande, E. Bair, and G. Hooker, Phys. Rev. Lett. 91, 140601 (2003). 10.1103/PhysRevLett.91.140601
- (2003) Phys. Rev. Lett. , vol.91 , pp. 140601
- Shirts, M.R.¹ Pande, V.S.² Bair, E.³ Hooker, G.⁴

14
- 23944432199
- Comparison of efficiency and bias of free energies computed by exponential averaging, the Bennett acceptance ratio, and thermodynamic integration
- DOI 10.1063/1.1873592, 144107
- M. R. Shirts and V. S. Pande, J. Chem. Phys. 122, 144107 (2005). 10.1063/1.1873592 (Pubitemid 40858302)
- (2005) Journal of Chemical Physics , vol.122 , Issue.14 , pp. 1-16
- Shirts, M.R.¹ Pande, V.S.²

15
- 5244304444
- 10.1016/0021-9991(76)90078-4
- C. H. Bennett, J. Comput. Phys. 22, 245 (1976). 10.1016/0021-9991(76) 90078-4
- (1976) J. Comput. Phys. , vol.22 , pp. 245
- Bennett, C.H.¹

16
- 38549124944
- Direct calculation of solid-liquid interfacial free energy for molecular systems: TIP4P ice-water interface
- DOI 10.1103/PhysRevLett.100.036104
- R. Handel, R. L. Davidchack, J. Anwar, and A. Brukhno, Phys. Rev. Lett. 100, 036104 (2008). 10.1103/PhysRevLett.100.036104 (Pubitemid 351161792)
- (2008) Physical Review Letters , vol.100 , Issue.3 , pp. 036104
- Handel, R.¹ Davidchack, R.L.² Anwar, J.³ Brukhno, A.⁴

17
- 62849084788
- edited by C. Chipot and A. Pohorille (Springer, Berlin).
- Free Energy Calculations: Theory and Applications in Chemistry and Biology, edited by, C. Chipot, and, A. Pohorille, (Springer, Berlin, 2007).
- (2007) Free Energy Calculations: Theory and Applications in Chemistry and Biology

18
- 26844491741
- Direct calculation of the crystal-melt interfacial free energy via molecular dynamics computer simulation
- DOI 10.1021/jp0530754
- B. B. Laird and R. L. Davidchack, J. Phys. Chem. B 109, 17802 (2005). 10.1021/jp0530754 (Pubitemid 41447469)
- (2005) Journal of Physical Chemistry B , vol.109 , Issue.38 , pp. 17802-17812
- Laird, B.B.¹ Davidchack, R.L.²

19
- 0001639844
- 10.1063/1.476396
- R. L. Davidchack and B. B. Laird, J. Chem. Phys. 108, 9452 (1998). 10.1063/1.476396
- (1998) J. Chem. Phys. , vol.108 , pp. 9452
- Davidchack, R.L.¹ Laird, B.B.²

20
- 0035844532
- 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. 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

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