Computing the viscosity of supercooled liquids

Journal of Chemical Physics

Volumn 130, Issue 22, 2009, Pages

  Kushima, Akihiro ^a   Lin, Xi ^b   Li, Ju ^c   Eapen, Jacob ^d   Mauro, John C ^e   Qian, Xiaofeng ^a   Diep, Phong ^e   Yip, Sidney ^a  

^a Massachusetts Institute of Technology Cambridge   (United States)

^b Boston University   (United States)

^c UNIVERSITY OF PENNSYLVANIA   (United States)

^d North Carolina State University   (United States)

^e Corning Incorporated ^*  (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION BARRIERS; ADATOM DIFFUSION; ATOMISTIC METHODS; COARSE-GRAINED; DYNAMICS CAPABILITY; ENERGY MINIMA; FILLING ALGORITHM; FRAGILE GLASS; GREEN-KUBO FORMALISM; HIGH ACTIVATION ENERGY; LENNARD-JONES SYSTEMS; LOCAL MINIMUMS; MARKOV NETWORKS; MEAN-FIELD; METAL SURFACES; MOLECULAR DYNAMICS SIMULATIONS; POTENTIAL ENERGY LANDSCAPES; SADDLE POINT; SUPERCOOLED LIQUIDS; TEMPERATURE DEPENDENCE; TEMPERATURE DEPENDENT; TEMPERATURE VARIATION; TRAJECTORY DATA; TRANSITION STATE; TRANSPORT PHENOMENA; VISCOUS LIQUIDS;

ACTIVATION ANALYSIS; DYNAMICS; GLASS FORMING MACHINES; LIQUIDS; MOLECULAR DYNAMICS; POTENTIAL ENERGY; SILICA; SUPERCOOLING; SURFACE DIFFUSION; SURFACE RELAXATION; TEMPERATURE DISTRIBUTION; VISCOMETERS; VISCOSITY;

ACTIVATION ENERGY;

SOLVENT;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMISTRY; COLD; COMPUTER SIMULATION; KINETICS; THERMODYNAMICS; VISCOSITY;

ALGORITHMS; COLD TEMPERATURE; COMPUTER SIMULATION; KINETICS; MODELS, CHEMICAL; SOLVENTS; THERMODYNAMICS; VISCOSITY;

EID: 67549089772     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3139006     Document Type: Article

References (39)

1. C. A. Angell, Science 0036-8075 267, 1924 (1995). 10.1126/science.267. 5206.1924
2. T. S. Grigera, A. Cavagna, I. Giardina, and G. Parisi, Phys. Rev. Lett. 0031-9007 88, 055502 (2002). 10.1103/PhysRevLett.88.055502
3. D. Coslovich and G. Pasotore, J. Chem. Phys. 0021-9606 127, 124505 (2007). 10.1063/1.2773720
4. F. H. Stillinger and T. A. Weber, Phys. Rev. A 1050-2947 25, 978 (1982). 10.1103/PhysRevA.25.978
5. A. Laio and M. Parrinello, Proc. Natl. Acad. Sci. U.S.A. 0027-8424 99, 12562 (2002). 10.1073/pnas.202427399
6. R. Martonak, A. Laio, and M. Parrinello, Phys. Rev. Lett. 0031-9007 90, 075503 (2003). 10.1103/PhysRevLett.90.075503
7. G. Henkelman and H. Jonsson, J. Chem. Phys. 0021-9606 111, 7010 (1999). 10.1063/1.480097
8. W. Kob and H. C. Andersen, Phys. Rev. E 1063-651X 51, 4626 (1995). 10.1103/PhysRevE.51.4626
9. F. H. Stillinger, Science 0036-8075 267, 1935 (1995). 10.1126/science.267.5206.1935
10. S. Sastry, P. G. Debenedetti, and F. H. Stillinger, Nature (London) 0028-0836 393, 554 (1998). 10.1038/31146
11. G. Debenedetti and F. H. Stillinger, Nature (London) 0028-0836 410, 259 (2001). 10.1038/35065704
12. F. H. Stillinger and T. A. Weber, Phys. Rev. A 1050-2947 25, 978 (1982). 10.1103/PhysRevA.25.978
13. O. M. Becker and M. Karplus, J. Chem. Phys. 0021-9606 106, 1495 (1997). 10.1063/1.473299
14. J. C. Mauro, R. J. Loucks, J. Balakrishnan, and S. Raghavan, J. Chem. Phys. 0021-9606 126, 194103 (2007). 10.1063/1.2733674
15. F. Wang and D. P. Landau, Phys. Rev. Lett. 0031-9007 86, 2050 (2001). 10.1103/PhysRevLett.86.2050
16. H. Löwen, Phys. Rep. 0370-1573 237, 249 (1994). 10.1016/0370- 1573(94)90017-5
17. C. P. Massen and J. P. K. Doye, Phys. Rev. E 1063-651X 75, 037101 (2007). 10.1103/PhysRevE.75.037101
18. D. A. McQuarrie, Statistical Mechanics (Harper & Row, New York, 1973), p. 512.
19. G. A. Fernandez, J. Vrabec, and H. Hasse, Fluid Phase Equilib. 0378-3812 221, 157 (2004). 10.1016/j.fluid.2004.05.011
20. J. Li, J. Chem. Phys. 0021-9606 (to be published).
21. S. G. Brush, Chem. Rev. (Washington, D.C.) 0009-2665 62, 513 (1962). 10.1021/cr60220a002
22. E. N da C. Andrade, Nature (London) 0028-0836 125, 309 (1930). 10.1038/125309b0
23. G. Adam and J. H. Gibbs, J. Chem. Phys. 0021-9606 43, 139 (1965). 10.1063/1.1696442
24. A. Heuer, J. Phys.: Condens. Matter 0953-8984 20, 373101 (2008). 10.1088/0953-8984/20/37/373101
25. C. A. Angell, J. Phys. Chem. Solids 0022-3697 49, 863 (1988). 10.1016/0022-3697(88)90002-9
26. A. Kushima, X. Lin, J. Li, J. Eapen, X. Qian, J. C. Mauro, P. Diep, S. Yip, J. Chem. Phys. 0021-9606 (to be published).
27. G. A. Appignanesi, J. A. Rodriguez Fris, R. A. Motani, and W. Kob, Phys. Rev. Lett. 0031-9007 96, 057801 (2006). 10.1103/PhysRevLett.96.057801
28. B. Doliwa and A. Heuer, Phys. Rev. E 1063-651X 67, 031506 (2003). 10.1103/PhysRevE.67.031506
29. J. Eapen, A. Kushima, J. Li, and S. Yip, J. Chem. Phys. 0021-9606 (to be published).
30. J. C. Dyre, Rev. Mod. Phys. 0034-6861 78, 953 (2006). 10.1103/RevModPhys.78.953
31. K. Trachenko and V. V. Brazhkin, J. Phys.: Condens. Matter 0953-8984 20, 075103 (2008). 10.1088/0953-8984/20/7/075103
32. P. J. Feibelman, Phys. Rev. Lett. 0031-9007 65, 729 (1990). 10.1103/PhysRevLett.65.729
33. A. F. Voter, Phys. Rev. Lett. 0031-9007 78, 3908 (1997). 10.1103/PhysRevLett.78.3908
34. G. Henkelman, G. Johannesson, and H. Jonsson, in Progress on Theoretical Chemistry and Physics, edited by, S. D. Schwartz, (Kluwar, Dordrecht, 2000), p. 269.
35. D. Passerone and M. Parrinello, Phys. Rev. Lett. 0031-9007 87, 108302 (2001). 10.1103/PhysRevLett.87.108302
36. R. A. Olsen, G. J. Kroes, G. Henkelman, A. Arnaldsson, and H. Jonsson, J. Chem. Phys. 0021-9606 121, 9776 (2004). 10.1063/1.1809574
37. A. F. Voter and S. P. Chen, Mater. Res. Soc. Symp. Proc. 0272-9172 82, 2384 (1987).
38. D. W. Bassett and P. R. Webber, Surf. Sci. 0039-6028 70, 520 (1978). 10.1016/0039-6028(78)90429-6
39. D. Kivelson, G. Tarjus, X. Zhao, and S. A. Kivelson, Phys. Rev. E 1063-651X 53, 751 (1996). 10.1103/PhysRevE.53.751