Investigation of vapor-deposited amorphous ice and irradiated ice by molecular dynamics simulation

Journal of Chemical Physics

Volumn 120, Issue 9, 2004, Pages 4366-4382

  Guillot, Bertrand ^a   Guissani, Yves ^a  

^a UNIVERSITÉ PIERRE ET MARIE CURIE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

AMORPHOUS MATERIALS; COMPUTER SIMULATION; DENSIFICATION; IRRADIATION; MOLECULAR DYNAMICS; PHOTOLYSIS; THERMODYNAMICS; VAPOR DEPOSITION;

AMORPHOUS ICE; MAGNETOSPHERIC RADIATION;

ICE;

EID: 1842426478     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1644095     Document Type: Article

References (113)

1. E. F. Burton and W. F. Oliver, Nature (London) 135, 505 (1935).
2. J. Klinger, J. Phys. Chem. 87, 4209 (1983).
3. A. Kouchi, T. Yamamoto, T. Kosaza, T. Kuroda, and J. M. Greenberg, Astron. Astrophys. 290, 1009 (1994).
4. S. A. Stern, in Solar System Ices, edited by B. Schmidtt et al. (Kluwer Academic, Dordrecht, 1998), p. 685.
5. M. E. Bailey, Science 296, 2151 (2002).
6. C. Chyba and C. Sagan, Nature (London) 355, 125 (1992).
7. E. L. Gibb, D. C. B. Whittet, W. A. Schutte et al., Astrophys. J. 536, 347 (2000).
8. A. G. G. M. Tielens, W. Hagen, and J. M. Greenberg, J. Phys. Chem. 87, 4220 (1983).
9. J. P. Bradley, Science 265, 925 (1994).
10. J. Crovisier, K. Leech, D. Bockelée-Morvan, T. Y. Brooke, M. S. Hanner, B. Altieri, H. U. Keller, and E. Lellouch, Science 275, 1904 (1997).
11. R. L. Hudson and M. H. Moore, J. Geophys. Res. 106, 33275 (2001).
12. P. Ehrenfreund, L. d'Hendecourt, S. Charnley, and R. Ruiterkamp, J. Geophys. Res. 106, 33291 (2001).
13. P. Ehrenfreund, Science 283, 1123 (1999).
14. M. P. Bernstein, S. A. Sandford, L. J. Allamandola, J. S. Gillette, S. J. Clemett, and R. N. Zare, Science 283, 1135 (1999).
15. W. L. Brown, L. J. Lanzerotti, and R. E. Johnson, Science 218, 525 (1982).
16. P. A. Gerakines, W. A. Schutte, J. M. Greenberg, and E. F. van Dishoeck, Astron. Astrophys. 296, 810 (1995).
17. P. A. Gerakines, W. A. Schutte, and P. Ehrenfreund, Astron. Astrophys. 312, 289 (1996).
18. G. Strazzulla, in Ref. 4, p. 281.
19. F. Salama, in Ref. 4, p. 259.
20. D. A. Bahr, M. Fama, R. A. Vidal, and R. A. Baragiola, J. Geophys. Res. 106, 33285 (2001).
21. P. A. Gerakines, M. H. Moore, and R. L. Hudson, J. Geophys. Res. 106, 33381 (2001).
22. M. P. Bernstein, J. P. Dworkin, S. A. Sandford, G. W. Cooper, and L. J. Allamandola, Nature (London) 416, 401 (2002).
23. G. M. Munoz Caro, U. J. Meierhenrich, W. A. Schutte, B. Barbier, A. A. Segovia, H. Rosenbauer, W. H.-P. Thiemann, A. Brack, and J. M. Greenberg, Nature (London) 416, 403 (2002).
24. J. A. McMillan and S. C. Los, Nature (London) 206, 806 (1965).
25. M. Sugisaki, H. Suga, and S. Seki, Bull. Chem. Soc. Jpn. 41, 2591 (1968).
26. P. Brügeller and E. Mayer, Nature (London) 288, 569 (1980).
27. A. Hallbrucker, E. Mayer, and G. P. Johari, J. Phys. Chem. 93, 4986 (1989).
28. E. Mayer and P. Brügeller, Nature (London) 298, 715 (1982).
29. E. Mayer, J. Phys. Chem. 89, 3474 (1985).
30. G. P. Johari, A. Hallbrucker, and E. Mayer, J. Chem. Phys. 95, 2955 (1991).
31. A. J. Kolesnikov, J. Li, S. F. Parker, R. S. Eccleston, and C. K. Loong, Phys. Rev. B 59, 3569 (1999).
32. O. Yamamuro, Y. Madokoro, H. Yamasaki, T. Matsuo, I. Tsukushi, and K. Takeda, J. Chem. Phys. 115, 9808 (2001).
33. E. Mayer and R. Pletzer, J. Chem. Phys. 80, 2939 (1984).
34. B. S. Berland, D. E. Brown, M. A. Tolbert, and S. M. George, Geophys. Res. Lett. 22, 3493 (1995).
35. D. E. Brown, S. M. George, C. Huang, E. K. L. Wong, K. Brider, R. S. Smith, and B. D. Kay, J. Phys. Chem. 100, 4988 (1996).
36. I. Engqvist, I. Lundström, B. Liedberg, A. N. Parikh, and D. L. Allara, J. Chem. Phys. 106, 3038 (1997).
37. S. Trakhtenberg, R. Naaman, S. R. Cohen, and I. Benjamin, J. Phys. Chem. B 101, 5172 (1997).
38. K. P. Stevenson, G. A. Kimmel, Z. Dohnàlek, R. S. Smith, and B. D. Kay, Science 283, 1505 (1999).
39. G. A. Kimmel, K. P. Stevenson, Z. Dohnàlek, R. S. Smith, and B. D. Kay, J. Chem. Phys. 114, 5284 (2001).
40. Z. Dohnàlek, G. A. Kimmel, P. Ayotte, R. S. Smith, and B. D. Kay, J. Chem. Phys. 118, 364 (2003).
41. M. S. Westley, G. A. Baratta, and R. A. Baragiola, J. Chem. Phys. 108, 3321 (1998).
42. A. H. Narten, C. G. Vankatesh, and S. A. Rice, J. Chem. Phys. 64, 1106 (1976).
43. H.-G. Heide, Ultramicroscopy 14, 271 (1984); H.-G. Heide and E. Zeitler, ibid. 16, 151 (1985).
44. H.-G. Heide, Ultramicroscopy 14, 271 (1984); H.-G. Heide and E. Zeitler, ibid. 16, 151 (1985).
45. P. Jenniskens and D. F. Blake, Science 265, 753 (1994); P. Jenniskens, D. F. Blake, M. A. Wilson, and A. Pohorille, Astrophys. J. 455, 389 (1995).
46. P. Jenniskens and D. F. Blake, Science 265, 753 (1994); P. Jenniskens, D. F. Blake, M. A. Wilson, and A. Pohorille, Astrophys. J. 455, 389 (1995).
47. O. Mishima, L. D. Calvert, and E. Whalley, Nature (London) 310, 393 (1984); 314, 76 (1985).
48. O. Mishima, L. D. Calvert, and E. Whalley, Nature (London) 310, 393 (1984); 314, 76 (1985).
49. B. Guillot and Y. Guissani, J. Chem. Phys. 119, 11740 (2003).
50. A. I. Kolesnikov, J.-C. Li, S. Dong, I. F. Bailey, R. S. Eccleston, W. Hahn, and S. F. Parker, Phys. Rev. Lett. 79, 1869 (1997).
51. A. Givan, A. Loewenschuss, and C. J. Nielsen, J. Phys. Chem. B 101, 8696 (1997).
52. N. Horimoto, H. S. Kato, and M. Kawai, J. Chem. Phys. 116, 4375 (2002).
53. J. Dubochet and J. Lepault, J. Phys. C 45, 85 (1984).
54. A. Kouchi and T. Kuroda, Nature (London) 344, 134 (1990).
55. M. H. Moore and R. L. Hudson, Astrophys. J. 401, 353 (1992).
56. G. A. Baratta, G. Leto, F. Spinella, G. Strazzulla, and G. Foti, Astron. Astrophys. 252, 421 (1991); G. Strazzulla, G. A. Baratta, G. Leto, and G. Foti, Europhys. Lett. 18, 517 (1992).
57. G. A. Baratta, G. Leto, F. Spinella, G. Strazzulla, and G. Foti, Astron. Astrophys. 252, 421 (1991); G. Strazzulla, G. A. Baratta, G. Leto, and G. Foti, Europhys. Lett. 18, 517 (1992).
58. Q. Zhang and V. Buch, J. Chem. Phys. 92, 1512 (1990); 92, 5004 (1990); V. Buch, ibid. 93, 2631 (1990); V. Buch and J. P. Devlin, ibid. 94, 4091 (1991); V. Buch, ibid. 96, 3814 (1992).
59. Q. Zhang and V. Buch, J. Chem. Phys. 92, 1512 (1990); 92, 5004 (1990); V. Buch, ibid. 93, 2631 (1990); V. Buch and J. P. Devlin, ibid. 94, 4091 (1991); V. Buch, ibid. 96, 3814 (1992).
60. Q. Zhang and V. Buch, J. Chem. Phys. 92, 1512 (1990); 92, 5004 (1990); V. Buch, ibid. 93, 2631 (1990); V. Buch and J. P. Devlin, ibid. 94, 4091 (1991); V. Buch, ibid. 96, 3814 (1992).
61. Q. Zhang and V. Buch, J. Chem. Phys. 92, 1512 (1990); 92, 5004 (1990); V. Buch, ibid. 93, 2631 (1990); V. Buch and J. P. Devlin, ibid. 94, 4091 (1991); V. Buch, ibid. 96, 3814 (1992).
62. Q. Zhang and V. Buch, J. Chem. Phys. 92, 1512 (1990); 92, 5004 (1990); V. Buch, ibid. 93, 2631 (1990); V. Buch and J. P. Devlin, ibid. 94, 4091 (1991); V. Buch, ibid. 96, 3814 (1992).
63. U. Essmann and A. Geiger, J. Chem. Phys. 103, 4678 (1995).
64. M. A. Wilson, A. Pohorille, P. Jenniskens, and D. F. Blake, Origins Life Evol. Biosphere 25, 3 (1995).
65. B. Guillot, J. Mol. Liq. 101/1-3, 219 (2002).
66. B. Guillot and Y. Guissani, J. Chem. Phys. 114, 6720 (2001).
67. J. Alejandre, D. J. Tildesley, and G. A. Chapela, J. Chem. Phys. 102, 4574 (1995).
68. S. W. Levine, J. R. Engstrom, and P. Clancy, Surf. Sci. 401, 112 (1998); G. A. Kimmel, Z. Dohnàlek, K. P. Stevenson, R. S. Smith, and B. D. Kay, J. Chem. Phys. 114, 5295 (2001).
69. S. W. Levine, J. R. Engstrom, and P. Clancy, Surf. Sci. 401, 112 (1998); G. A. Kimmel, Z. Dohnàlek, K. P. Stevenson, R. S. Smith, and B. D. Kay, J. Chem. Phys. 114, 5295 (2001).
70. G. P. Johari, J. Chem. Phys. 102, 6224 (1995).
71. K. Takeda, O. Yamamuro, and H. Suga, J. Phys. Chem. 99, 1602 (1995).
72. R. J. Speedy, P. G. Debenedetti, R. S. Smith, C. Huang, and B. D. Kay, J. Chem. Phys. 105, 240 (1996).
73. A. Kouchi, Nature (London) 330, 550 (1987).
74. A. Kouchi, J. Cryst. Growth 99, 1220 (1990).
75. N. J. Sack and R. A. Baragiola, Phys. Rev. B 48, 9973 (1993).
76. P. Jenniskens, D. F. Blake, and A. Kouchi, in Ref. 4, p. 139.
77. C. Manca, C. Martin, and P. Roubin, Chem. Phys. Lett. 364, 220 (2002).
78. J. P. Devlin, J. Sadlej, and V. Buch, J. Phys. Chem. A 105, 974 (2001).
79. M. R. Chowdury, J. C. Dore, and J. T. Wenzel, J. Non-Cryst. Solids 53, 247 (1982).
80. B. Guillot and Y. Guissani, J. Chem. Phys. 108, 10162 (1998).
81. H. Gai, G. K. Schenter, and B. C. Garett, Phys. Rev. B 54, 14873 (1996).
82. A. H. Hardin and K. B. Harvey, Spectrochim. Acta, Part A 29, 1139 (1973).
83. M. S. Bergren, D. Schuh, M. G. Sceats, and S. A. Rice, J. Chem. Phys. 69, 3477 (1978).
84. W. Hagen, A. G. G. M. Tielens, and J. M. Greenberg, Chem. Phys. 56, 367 (1981); W. Hagen and A. G. G. M. Tielens, Spectrochim. Acta, Part A 38, 1089 (1982).
85. W. Hagen, A. G. G. M. Tielens, and J. M. Greenberg, Chem. Phys. 56, 367 (1981); W. Hagen and A. G. G. M. Tielens, Spectrochim. Acta, Part A 38, 1089 (1982).
86. T. C. Sivakumar, S. A. Rice, and M. G. Sceats, J. Chem. Phys. 69, 3468 (1978).
87. H. Kanno, K. Tomikawa, and O. Mishima, Chem. Phys. Lett. 293, 412 (1998).
88. C. A. Tulk, D. D. Klug, R. Branderhorst, P. Sharpe, and J. A. Ripmeester, J. Chem. Phys. 109, 8478 (1998).
89. D. D. Klug, E. Whalley, E. C. Svensson, J. H. Root, and V. F. Sears, Phys. Rev. B 44, 841 (1991).
90. M. H. Moore, R. L. Hudson, and P. A. Gerakines, Spectrochim, Acta, Part A 57, 843 (2001).
91. G. Strazulla and R. E. Johnson, in Comets in the Post-Halley Era, edited by R. Newburn, Jr., M. Neugebauer, and J. Rahe (Kluwer, Dordrecht, 1991), p. 243.
92. J. Lepault, R. Freeman, and J. Dubochet, J. Microsc. 132, RP3 (1983).
93. I. G. Kaplan and A. M. Miterev, Adv. Chem. Phys. 68, 255 (1987).
94. J. F. Ziegler, J. P. Biersack, and U. Littmark, The Stopping and Range of Ions in Solids (Pergamon, New York, 1985).
95. W. L. Brown, L. J. Lanzerotti, and R. E. Johnson, Science 218, 525 (1982).
96. R. E. Johnson, Rev. Mod. Phys. 68, 305 (1996).
97. A. Bar-Nun, G. Herman, M. L. Rappaport, and Y. Mekler, Surf. Sci. 150, 143 (1985).
98. F. Gao, D. J. Bacon, P. E. J. Flewitt, and T. A. Lewis, J. Nucl. Mater. 249, 77 (1997).
99. T. Diaz de la Rubia and G. H. Gilmer, Phys. Rev. Lett. 74, 2507 (1995).
100. J. M. Perlado, J. Nucl. Mater. 251, 98 (1997).
101. D. J. Bacon, F. Gao, and Y. N. Osetsky, Nucl. Instrum. Methods Phys. Res. B 153, 87 (1999).
102. D. J. Bacon, F. Gao, and Y. N. Osetsky, J. Nucl. Mater. 276, 1 (2000).
103. A. V. Barashev, D. J. Bacon, and S. I. Golubov, J. Nucl. Mater. 276, 243 (2000).
104. L. Malerba, J. M. Perlado, A. Sanchez-Rubio, I. Pastor, L. Colombo, and T. Diaz de la Rubia, J. Nucl. Mater. 283-287, 794 (2000).
105. T. Aoki, S. Chiba, J. Matsuo, I. Yamada, and J. P. Biersack, Nucl. Instrum. Methods Phys. Res. B 180, 312 (2001).
106. M. Spaczér, A. Caro, and M. Victoria, Phys. Rev. B 52, 7171 (1995).
107. L. Malerba and J. M. Perlado, J. Nucl. Mater. 289, 57 (2001).
108. X. Yuan, V. Pulim, and L. W. Hobbs, J. Nucl. Mater. 289, 71 (2001).
109. 3 MD steps until each molecule of the lamella has been processed. The results of these calculations are essentially the same as those obtained with the implantation simulation in which the lamella is bombarded with 35 eV water molecules. In particular, the densification of amorphous ice is obtained and the recovered sample present the same structural properties as those described afterward in the text with the implantation technique.
110. W. Primak, Phys. Rev. A 133, 531 (1958); W. Primak and R. Kampwirth, J. Appl. Phys. 39, 5651 (1968).
111. W. Primak, Phys. Rev. A 133, 531 (1958); W. Primak and R. Kampwirth, J. Appl. Phys. 39, 5651 (1968).
112. C. Fiori and R. A. B. Devine, Phys. Rev. B 33, 2972 (1986).
113. A. Wooton, B. Thomas, and P. Harrowell, J. Chem. Phys. 115, 3336 (2001).