The thickness of a liquid layer on the free surface of ice as obtained from computer simulation

Journal of Chemical Physics

Volumn 129, Issue 1, 2008, Pages

  Conde, M M ^a   Vega, C ^a   Patrykiejew, A ^b  

^a UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

^b MARIA CURIE SK ODOWSKA UNIVERSITY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; COMPUTER SIMULATION; DYNAMIC MODELS; FLUIDS; ICE; LIQUIDS; MELTING; MOLECULAR DYNAMICS; STEELMAKING; THERMOCHEMISTRY;

AMERICAN INSTITUTE OF PHYSICS (AIP); BASAL PLANES; FIXED TEMPERATURE; FREE SURFACES; ICE SURFACES; LIQUID LAYER THICKNESS; LIQUID LAYERS; MELTING TEMPERATURE (TM); MOLECULAR DYNAMIC SIMULATION (MDS); THIN LIQUID LAYERS; WATER MODELING;

MELTING POINT;

EID: 46749118824     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2940195     Document Type: Article

References (83)

1. M. Faraday, Proc. R. Soc. London 10, 440 (1860). 0370-1662
2. F. F. Abraham, Phys. Rep. 0370-1573 10.1016/0370-1573(81)90081-8 81, 339 (1981).
3. J. G. Dash, Contemp. Phys. 0010-7514 10.1080/00107518908225509 30, 89 (1989).
4. M. Bienfait, Surf. Sci. 0039-6028 10.1016/0039-6028(92)91415-8 272, 1 (1992).
5. J. Q. Broughton and G. H. Gilmer, J. Chem. Phys. 0021-9606 10.1063/1.445635 79, 5119 (1983).
6. D. Nenov, Prog. Cryst. Growth Charact. 0960-8974 10.1016/0146-3535(84) 90081-9 9, 185 (1984).
7. J. W. M. Frenken and J. F. van der Veen, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.54.134 54, 134 (1985).
8. J. W. M. Frenken, P. M. J. Maree, and J. F. Vanderveen, Phys. Rev. B 0163-1829 10.1103/PhysRevB.34.7506 34, 7506 (1986).
9. A. Siavosh-Haghighi and D. L. Thompson, J. Phys. Chem. C 1932-7447 10.1021/jp070242m 111, 7980 (2007).
10. F. Delogu, J. Phys. Chem. B 1089-5647 10.1021/jp061225k 110, 12645 (2006).
11. P. Carnevali, F. Ercolessi, and E. Tosatti, Phys. Rev. B 0163-1829 10.1103/PhysRevB.36.6701 36, 6701 (1987).
12. B. Pluis, A. W. D. van der Gon, J. W. M. Frenken, and J. F. van der Veen, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.59.2678 59, 2678 (1987).
13. U. Tartaglino, T. Zykova-Timan, F. Ercolessi, and E. Tosatti, Phys. Rep. 0370-1573 10.1016/j.physrep.2005.01.004 411, 291 (2005).
14. H. Groenzin, I. Li, V. Buch, and M. J. Shultz, J. Chem. Phys. 0021-9606 10.1063/1.2801642 127, 214502 (2007).
15. N. Materer, U. Starke, A. Barbieri, M. A. Vanhove, G. A. Somorjai, G. J. Kroes, and C. Minot, J. Phys. Chem. 0022-3654 10.1021/j100017a002 99, 6267 (1995).
16. M. T. Suter, P. U. Andersson, and J. B. C. Pettersson, J. Chem. Phys. 0021-9606 10.1063/1.2359444 125, 174704 (2006).
17. K. Bolton and J. B. C. Pettersson, J. Phys. Chem. B 1089-5647 10.1021/jp9934883 104, 1590 (2000).
18. R. Rosenberg, Phys. Today 0031-9228 58, 50 (2005).
19. S. C. Colbeck, Am. J. Phys. 0002-9505 10.1119/1.18028 63, 888 (1995).
20. S. C. Colbeck, Am. J. Phys. 0002-9505 10.1119/1.18576 65, 488 (1997).
21. M. J. Molina, The Chemistry of the Atmosphere: Its Impact on Global Change (Blackwell Scientific, Oxford, 1994).
22. Y. Li and G. A. Somorjai, J. Phys. Chem. C 1932-7447 10.1021/jp071102f 111, 9631 (2007).
23. J. G. Dash, H. Fu, and J. S. Wettlaufer, Rep. Prog. Phys. 0034-4885 10.1088/0034-4885/58/1/003 58, 115 (1995).
24. J. G. Dash, A. W. Rempel, and J. S. Wettlaufer, Rev. Mod. Phys. 0034-6861 10.1103/RevModPhys.78.695 78, 695 (2006).
25. M. Elbaum, S. Lipson, and J. Dash, J. Cryst. Growth 0022-0248 10.1016/0022-0248(93)90077-A 129, 491 (1993).
26. H. Bluhm, D. F. Ogletree, C. S. Fadley, Z. Hussain, and M. Salmeron, J. Phys.: Condens. Matter 0953-8984 10.1088/0953-8984/14/8/108 14, L227 (2002).
27. I. Golecki and C. Jaccard, J. Phys. Chem. Solids 11, 4229 (1978). 0022-3697
28. D. Nason and N. H. Fletcher, J. Chem. Phys. 0021-9606 10.1063/1.431006 62, 4444 (1975).
29. H. Dosch, A. Lied, and J. H. Bilgram, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00805-9 366, 43 (1996).
30. Y. Furukawa, M. Yamamoto, and T. Kuroda, J. Cryst. Growth 0022-0248 10.1016/0022-0248(87)90041-8 82, 665 (1987).
31. D. Beaglehole and D. Nason, Surf. Sci. 0039-6028 10.1016/0039-6028(80) 90313-1 96, 357 (1980).
32. W. L. Jorgensen, J. Chandrasekhar, J. D. Madura, R. W. Impey, and M. L. Klein, J. Chem. Phys. 0021-9606 10.1063/1.445869 79, 926 (1983).
33. H. J. C. Berendsen, J. R. Grigera, and T. P. Straatsma, J. Phys. Chem. 0022-3654 10.1021/j100308a038 91, 6269 (1987).
34. O. A. Karim, P. A. Kay, and A. D. J. Haymet, J. Chem. Phys. 0021-9606 10.1063/1.457730 92, 4634 (1990).
35. O. A. Karim and A. D. J. Haymet, J. Chem. Phys. 0021-9606 10.1063/1.455363 89, 6889 (1988).
36. S. C. Gay, E. J. Smith, and A. D. J. Haymet, J. Chem. Phys. 0021-9606 10.1063/1.1471556 116, 8876 (2002).
37. T. Bryk and A. D. J. Haymet, J. Chem. Phys. 0021-9606 10.1063/1.1519538 117, 10258 (2002).
38. G. T. Gao, X. C. Zeng, and H. Tanaka, J. Chem. Phys. 0021-9606 10.1063/1.481457 112, 8534 (2000).
39. E. Sanz, C. Vega, J. L. F. Abascal, and L. G. MacDowell, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.92.255701 92, 255701 (2004).
40. Y. Koyama, H. Tanaka, G. Gao, and X. C. Zeng, J. Chem. Phys. 0021-9606 10.1063/1.1801272 121, 7926 (2004).
41. C. Vega, E. Sanz, and J. L. F. Abascal, J. Chem. Phys. 0021-9606 10.1063/1.1862245 122, 114507 (2005).
42. R. G. Fernandez, J. L. F. Abascal, and C. Vega, J. Chem. Phys. 0021-9606 10.1063/1.2183308 124, 144506 (2006).
43. J. Wang, S. Yoo, J. Bai, J. R. Morris, and X. C. Zeng, J. Chem. Phys. 0021-9606 10.1063/1.1950647 123, 036101 (2005).
44. J. L. F. Abascal, R. G. Fernandez, L. MacDowell, E. Sanz, and C. Vega, J. Mol. Liq. 0167-7322 10.1016/j.molliq.2007.08.025 136, 214 (2007).
45. E. Sanz, C. Vega, J. L. F. Abascal, and L. G. MacDowell, J. Chem. Phys. 0021-9606 10.1063/1.1759617 121, 1165 (2004).
46. L. Vrbka and P. Jungwirth, J. Mol. Liq. 0167-7322 10.1016/j.molliq.2006. 12.011 134, 64 (2007).
47. J. L. F. Abascal and C. Vega, J. Chem. Phys. 0021-9606 10.1063/1.2121687 123, 234505 (2005).
48. G. J. Kroes, Surf. Sci. 0039-6028 10.1016/0039-6028(92)90809-K 275, 365 (1992).
49. Y. Furukawa and H. Nada, J. Phys. Chem. B 1089-5647 10.1021/jp9631700 101, 6167 (1997).
50. H. Nada and Y. Furukawa, Appl. Surf. Sci. 0378-5963 10.1016/S0169- 4332(97)00324-3 121, 445 (1997).
51. M. A. Carignano, P. B. Shepson, and I. Szleifer, Mol. Phys. 0026-8976 10.1080/00268970500243796 103, 2957 (2005).
52. T. Ikeda-Fukazawa and K. Kawamura, J. Chem. Phys. 0021-9606 10.1063/1.1634250 120, 1395 (2004).
53. M. A. Carignano, P. B. Shepson, and I. Szleifer, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2007.01.016 436, 99 (2007).
54. H. Nada and J. P. J. M. van der Eerden, J. Chem. Phys. 0021-9606 10.1063/1.1562610 118, 7401 (2003).
55. F. Paesani and G. A. Voth, J. Phys. Chem. C 1932-7447 10.1021/jp710640e 112, 324 (2008).
56. S. Picaud, J. Chem. Phys. 0021-9606 10.1063/1.2370882 125, 174712 (2006).
57. C. Vega, M. Martin-Conde, and A. Patrykiejew, Mol. Phys. 0026-8976 10.1080/00268970600967948 104, 3583 (2006).
58. C. McBride, C. Vega, E. Sanz, L. G. MacDowell, and J. L. F. Abascal, Mol. Phys. 0026-8976 10.1080/00268970412331293820 103, 1 (2005).
59. G. E. Norman and V. V. Stegailov, Dokl. Phys. 1028-3358 10.1134/1.1512632 47, 667 (2002).
60. G. E. Norman and V. V. Stegailov, Mol. Simul. 0892-7022 10.1080/0892702042000197667 30, 397 (2004).
61. J. Frenkel, Kinetic Theory of Liquids (Oxford University Press, New York, 1946).
62. V. F. Petrenko and R. W. Whitworth, Physics of Ice (Oxford University Press, Oxford, 1999).
63. J. D. Bernal and R. H. Fowler, J. Chem. Phys. 0021-9606 10.1063/1.1749327 1, 515 (1933).
64. L. Pauling, J. Am. Chem. Soc. 0002-7863 10.1021/ja01315a102 57, 2680 (1935).
65. V. Buch, P. Sandler, and J. Sadlej, J. Phys. Chem. B 1089-5647 10.1021/jp980866f 102, 8641 (1998).
66. D. Van Der Spoel, E. Lindahl, B. Hess, G. Groenhof, A. E. Mark, and H. J. C. Berendsen, J. Comput. Chem. 0192-8651 10.1002/jcc.20291 26, 1701 (2005).
67. J. P. Ryckaert, G. Ciccotti, and H. J. C. Berendsen, J. Comput. Phys. 0021-9991 10.1016/0021-9991(77)90098-5 23, 327 (1977).
68. H. J. C. Berendsen and W. F. van Gusteren, in Molecular Liquids-Dynamics and Interactions, Proceedings of the NATO Advanced Study Institute on Molecular Liquids (Reidel, Dordretch, 1984), pp. 475-500.
69. U. Essmann, L. Perera, M. L. Berkowitz, T. Darden, H. Lee, and L. G. Pedersen, J. Chem. Phys. 0021-9606 10.1063/1.470117 103, 8577 (1995).
70. S. Noś, Mol. Phys. 0026-8976 10.1080/00268978400101201 52, 255 (1984).
71. W. G. Hoover, Phys. Rev. A 31, 1695 (1985). 1050-2947
72. M. Parrinello and A. Rahman, J. Appl. Phys. 0021-8979 10.1063/1.328693 52, 7182 (1981).
73. S. Noś and M. L. Klein, Mol. Phys. 0026-8976 10.1080/ 00268978300102851 50, 1055 (1983).
74. J. Alejandre, F. Bresme, M. Gonzalez-Melchor, and F. del Rio, J. Chem. Phys. 0021-9606 10.1063/1.2738475 126, 224511 (2007).
75. C. Vega and E. de Miguel, J. Chem. Phys. 0021-9606 10.1063/1.2715577 126, 154707 (2007).
76. H. Nada and Y. Furukawa, J. Cryst. Growth 0022-0248 10.1016/j.jcrysgro. 2005.05.057 283, 242 (2005).
77. M. Chaplin (http://www.lsbu.ac.uk/water/).
78. M. Matsumoto, J. Chem. Phys. 0021-9606 10.1063/1.2431168 126, 054503 (2007).
79. J. R. Errington and P. G. Debenedetti, Nature (London) 0028-0836 10.1038/35053024 409, 318 (2001).
80. N. Giovambattista, P. G. Debenedetti, F. Sciortino, and H. E. Stanley, Phys. Rev. E 1063-651X 10.1103/PhysRevE.71.061505 71, 061505 (2005).
81. T. Head-Gordon and M. E. Johnson, Proc. Natl. Acad. Sci. U.S.A. 0027-8424 10.1073/pnas.0510593103 103, 7973 (2006).
82. P. Wernet, D. Nordlund, U. Bergmann, M. Cavalleri, M. Odelius, H. Ogasawara, L. A. Naslund, T. K. Hirsch, L. Ojamae, P. Glatzel, L. G. M. Petterson, and A. Nilsson, Science 0036-8075 10.1126/science.1096205 304, 995 (2004).
83. Y. I. Jhon, K. T. No, and M. S. Jhon, J. Phys. Chem. B 111, 9897 (2007). 1520-6106