State-of-the-art models for the phase diagram of carbon and diamond nucleation

Molecular Physics

Volumn 106, Issue 16-18, 2008, Pages 2011-2038

  Ghiringhelli, L M ^a,d   Valeriani, C ^b,e   Los, J H ^c   Meijer, E J ^a   Fasolino, A ^a,c   Frenkel, D ^a,b,f  

^a UNIVERSITY OF AMSTERDAM   (Netherlands)

^b FOM INSTITUTE AMOLF   (Netherlands)

^c RADBOUD UNIVERSITY NIJMEGEN   (Netherlands)

^d MAX PLANCK INSTITUTE FOR POLYMER RESEARCH   (Germany)

^e UNIVERSITY OF EDINBURGH   (United Kingdom)

^f UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

Carbon; Diamond; Graphite; Nucleation; Phase diagram

Indexed keywords

CARBON; CRYSTALLIZATION KINETICS; DIAMONDS; GRAPHITE; INTERPLANETARY FLIGHT; NUCLEATION; PHASE DIAGRAMS; THERMODYNAMIC PROPERTIES;

ART MODELS; DIAMOND NUCLEATIONS; FIRST ORDERS; HIGH PRESSURES; HOMOGENEOUS NUCLEATIONS; KINETICS OF CRYSTALLIZATIONS; LIQUID CARBONS; NEPTUNE; PHASE BEHAVIOURS; RECENT DEVELOPMENTS; TWO PHASES;

PHASE TRANSITIONS;

EID: 56049099589     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970802077884     Document Type: Review

References (147)

1. A.G. Whittaker, Science 200, 4343 (1978).
2. P.P.K. Smith and P.R. Buseck, Science 216, 984 (1982).
3. H.W. Kroto, J.R. Heath, S.C. O'Brien, et al. Nature 318, 162 (1985).
4. S. Iijima, Nature 354, 56 (1991).
5. K.S. Novoselov, A.K. Geim, S.V. Morozov, et al. Science 306, 666 (2004).
6. A. Jayaraman, R.C. Newton and J.M. McDonough, Phys. Rev. 159, 527 (1967).
7. R. Bellisent, C. Bergman, R. Ceolin, et al., Phys. Rev. Lett. 59, 661 (1987).
8. D.A. Young, Phase Diagrams of the Elements (University of California Press, Berkeley, 1991).
9. O. Ohtaka, H. Arima, H. Fukui, et al., Phys. Rev. Lett. 92, 155506 (2004).
10. D. Ishikawa, M. Inui, K. Matsuda, et al., Phys. Rev. Lett. 93, 097801 (2004).
11. V.V. Brazhkin, R.N. Voloshin, S.V. Popova, et al., Phys. Lett. A 154, 413 (1991).
12. A.G. Umnov and V.V. Brazhkin, High Pressure Res. 13, 233 (1995).
13. V.V. Brazhkin, R.N. Voloshin and S.V. Popova, Pis'ma v ZhETF 50, 424 (1989)
14. [English translation: JETP Lett. 50, 424 (1989)].
15. C.A. Angell, S. Borick and M. Grabow, J. Non-cryst Solids 205, 463 (1996).
16. P. Beaucage and N. Mousseau, J. Phys. Condens. Matter 17, 2269 (2005).
17. A.G. Umnov and V.V. Brazhkin, High Temp.-High Pressure 25, 221 (1993).
18. S.T. Weir, A.C. Mitchell and W.J. Nellis, Phys. Rev. Lett. 76, 1860 (1996).
19. V.V. Brazhkin, R.N. Voloshin, S.V. Popova, et al. High Pressure Res. 6, 363 (1992).
20. M. Ross and F. Rogers, Phys. Rev. B 74, 024103 (2006).
21. G.D. Mukherjee and R. Boehler, Phys. Rev. Lett. 99, 225701 (2007).
22. L. Pauling and M. Simonetta, J. Chem. Phys. 20, 29 (1952).
23. D. Hohl and R.O. Jones, Phys. Rev. B 50, 17047 (1994).
24. Y. Katayama, T. Mizutani, W. Utsumi, et al., Nature 403, 170 (2000).
25. G. Monaco, S. Falconi, W.A. Crichton, et al., Phys. Rev. Lett. 90, 255701 (2003).
26. T. Morishita, Phys. Rev. Lett. 87, 105701 (2001).
27. Y. Senda, F. Shimojo and K. Oshino, J. Phys. Condens. Matter 14, 3715 (2002).
28. Luca M. Ghiringhelli and Evert Jan Meijer, J. Chem. Phys. 122, 184510 (2005).
29. Luca M. Ghiringhelli and E.J. Meijer, J. Phys. Condens. Matter 19, 416104 (2007).
30. O. Mishima and H.E. Stanley, Nature 396, 329 (1998).
31. G. Franzese, G. Malescio, A. Skibinsky, et al., Nature 409, 692 (2001).
32. P.H. Poole, M. Hemmati and C.A. Angell, Phys. Rev. Lett. 79, 2281 (1997).
33. J.P. Iitie, Phys. Rev. Lett. 63, 398 (1989).
34. E. Rapoport, J. Chem. Phys. 46, 2891 (1967).
35. S. Strässler and C. Kittel, Phys. Rev. 139, A758 (1965).
36. I.L. Aptekar and E.G. Ponyatovsky, Phys. Met. Metallogr. 25, 10 (1968).
37. I.A. Korsunskaya, D.S. Kamenetskaya and I.L. Aptekar, Fiz. metal. metalloved. 34, 942 (1972)
38. [English translation: Phys. Met. Metallogr. (USSR) 34, 39 (1972)].
39. V.V. Brazhkin, S.V. Popova and R.N. Voloshin, High Pressure Res. 15, 267 (1997).
40. H. Tanaka, Phys. Rev. E 62, 6968 (2000).
41. J.H. Los and A. Fasolino, Phys. Rev. B 68, 024107 (2003).
42. Jan H. Los, Luca M. Ghiringhelli, Evert Jan Meijer, et al., Phys. Rev. B 72, 214102 (2005)
43. Erratum: Phys. Rev. B 73, 229901 (E) (2006).
44. Luca M. Ghiringhelli, et al., Phys. Rev. Lett. 99, 055702 (2007).
45. S.B. Sinnott, O.A. Shenderova, C.T. White, et al., Carbon 36, 1 (1998).
46. A. Petukhov and A. Fasolino, in Technical Proceedings of the ICCN 2001 International Conference on Computational Nanoscience (Applied Computational Research Society). www.cr.org/publications/ICCN2001/.
47. S.J. Stuart, A.B. Tutein and J.A. Harrison, J. Chem. Phys. 112, 6472 (2000).
48. C.J. Wu, J.N. Glosli, G. Galli, et al., Phys. Rev. Lett. 89, 135701 (2002).
49. Luca M. Ghiringhelli, et al., Phys. Rev. B 69, 100101 (R) (2004).
50. P.W. Anderson, Phys. Rev. Lett. 21, 13 (1968).
51. P.W. Anderson, Phys. Rev. 181, 25 (1969).
52. J.D. Weeks and P.W. Anderson, J. Chem. Phys. 58, 1388 (1973).
53. G.C. Abell, Phys. Rev. B 31, 6184 (1985).
54. J. Tersoff, Phys. Rev. Lett. 61, 2879 (1988).
55. D.W. Brenner, Phys. Rev. B 42, 9458, Erratum: Phys. Rev. B 46, 1948, 1992 (1990).
56. D.W. Brenner, O.A. Shenderova, J.A. Harrison, et al., J. Phys. Condens. Matter 14, 783 (2002).
57. Luca M. Ghiringhelli, Jan H. Los, A. Fasolino, et al., Phys. Rev. B 72, 214103 (2005).
58. L.M. Ghiringhelli, PhD. thesis, 2006. http://dare.uva.nl/document/18341/
59. H.W. Bakhuis Roozeboom, Die heterogenen gleichgewichte 1, 180, Braunschweig (1901).
60. G. Tamman, Z. Phys. Chem. 69, 569 (1909).
61. F.D. Rossini and R.S. Jessup, J. Res. Natn Bur. Stand. 21, 491 (1938).
62. O.I. Leipunskii, Uspekhi Khim. 8, 1519 (1939).
63. M.J. Basset, J. Chem. Radium 10, 217 (1939).
64. P.W. Bridgman, J. Chem. Phys. 15, 92 (1947).
65. R. Liljeblad, Arkiv Kemi 8, 423 (1955).
66. R. Berman and F. Simon, Z. Elektrochem. 59, 333 (1955).
67. F.P. Bundy, H.T. Hall, H.M. Strong, et al., Nature 176, 51 (1955).
68. F.P. Bundy, J. Chem. Phys. 38, 618 (1963).
69. I.I. Althertum, W. Fehse and M. Pirani, Z. Elektrochem. 31, 313 (1925).
70. G.J. Schoessow, Phys. Rev. Lett. 21, 11 (1968).
71. J. Heremans, C.H. Olk, G.L. Eesley, et al., Phys. Rev. Lett. 60, 5 (1988).
72. A.G. Whittaker and P.L. Kintner, in 12th Biennal Conference on Carbon (Pittsburgh, PA, 1975), p. 37.
73. J.W. Shaner, J.M. Brown, A.C. Swenson, et al. J. Phys. 45, 235 (1984).
74. A. Cezairliyan and A.P. Miller, Int. J. Thermophys. 11, 643 (1990).
75. G. Pottlacher, R.S. Hixson, R.S. Melnitzky, et al., Thermochim. Acta 218, 183 (1993).
76. F.P. Bundy, W.A. Bassett, M.S. Weathers, et al., Carbon 34, 141 (1996).
77. M. Togaya, Phys. Rev. Lett. 79, 2474 (1997).
78. M. Musella, C. Ronchi, M. Brykin, et al., J. Appl. Phys. 84, 2530 (1998).
79. E.I. Asinovskii, A.V. Kirillin and A.V. Kostanovskii, High Temp. 35, 704 (1997).
80. E.I. Asinovskii, A.V. Kirillin, A.V. Kostanovskii, et al., High Temp. 36, 716 (1998).
81. P.S. DeCarli and J.C. Jamieson, Science 133, 1821 (1961).
82. B.J. Alder and R.H. Christian, Phys. Rev. Lett. 7, 367 (1961).
83. F.P. Bundy, J. Chem. Phys. 38, 631 (1963).
84. J.C. Jamieson, Science 161, 363 (1963).
85. F.P. Bundy, Phys. Chem. 302 (1969) [Bakhuis Roozeboom award lecture, 25-10-1969].
86. J.A. Van Vechten, Phys. Rev. B 7, 1479 (1973).
87. R. Grover, J. Chem. Phys. 71, 3824 (1979).
88. A.E. Goresy and G. Donnay, Science 161, 363 (1968).
89. T. Venkatesan, D.C. Jacobson, J.M. Gibson, et al., Phys. Rev. Lett. 53, 360 (1984).
90. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).
91. W. Kohn and L.J. Sham, Phys. Rev. A 140, 1133 (1965).
92. M.T. Yin and M.L. Cohen, Phys. Rev. Lett. 50, 2006 (1983).
93. M.T. Yin, Phys. Rev. B 30, 1773 (1984).
94. R. Biswas, R.M. Martin, R.J. Needs, et al. Phys. Rev. B 35, 1987 (1987).
95. S. Fahy and S.G. Louie, Phys. Rev. B 36, 3373 (1987).
96. J.W. Shaner, J.M. Brown, A.C. Swenson, et al. J. Phys. (Paris) Colloq. 45, C8 (1984).
97. M. Togaya, in Science and Technlogy of New Diamond (KTK/TSPC, Tokyo, 1990), p. 369.
98. G. Galli, R.M. Martin, R. Car, et al., Science 250, 1547 (1990).
99. M. Ross, Nature 292, 435 (1981).
100. M.P. Grumbach and R.M. Martin, Phys. Rev. B 54, 15730 (1996).
101. D.K. Bradley, J.H. Eggert, D.G. Hicks, et al. Phys. Rev. Lett. 93, 195506 (2004).
102. M. van Thiel and F.H. Ree, Phys. Rev. B 48, 3591 (1993).
103. D.A. Kofke, J. Chem. Phys. 98, 4149 (1993).
104. J. Anwar, D. Frenkel and M.G. Noro, J. Chem. Phys. 118, 728 (2003).
105. D. Frenkel and B. Smit, Understanding Molecular Simulation (Academic Press, San Diego, CA, 2002).
106. J.N. Glosli and F.H. Ree, Phys. Rev. Lett. 82, 4659 (1999).
107. J.N. Glosli and F.H. Ree, J. Chem. Phys. 110, 441 (1999).
108. X. Wang, S. Scandolo and R. Car, Phys. Rev. Lett. 95, 185701 (2005).
109. A.A. Correa, S.A. Bonev and G. Galli, Proc. Natn Acad. Sci. U.S.A. 103, 1204 (2006).
110. S. Brygoo, et al., Nature Mater. 6, 274 (2007).
111. M. van Thiel and F.H. Ree, High Pressure Res. 10, 607 (1992).
112. N.S. Fateeva and L.F. Vereshchagin, Pis'ma. Zh. Ekps. Teor. Fiz. 13, 157 (1971).
113. E.G. Ponyatovsky, J. Phys. Condens. Matter 15, 6123 (2003).
114. D.W. Brenner, J.H. Harrison, C.T. White, et al., Thin Solid Films 206, 220 (1991).
115. J.R. Morris, C.Z. Wang and K.M. Ho, Phys. Rev. B 52, 4138 (1995).
116. N.A. Marks, J. Phys. Condens. Matter 14, 2901 (2002).
117. N.A. Marks, N.C. Cooper, D.R. McKenzie, et al., Phys. Rev. B 65, 075411 (2002).
118. K.F. Kelton, in Crystal Nucleation in Liquids and Glasses (Academic Press, Boston, 1991), Vol. 45, p. 75.
119. P.R. ten Wolde, Mi. Ruiz-Montero and D. Frenkel, Faraday Discuss. 104, 93 (1996).
120. S. Auer and D. Frenkel, J. Chem. Phys. 120, 3015 (2004).
121. C. Valeriani, E. Sanz and D. Frenkel, J. Chem. Phys. 122, 194501 (2005).
122. Chantal Valeriani, PhD. thesis, 2007. http://dare.uva.nl/record/236014/
123. P.R. ten Wolde, Numerical study of pathways for homogeneous nucleation, 1997. www.amolf.nl/publications/theses/wolde/wolde.html
124. G.M. Torrie and J.P. Valleau, J. Comp. Phys. 23, 187 (1977).
125. S. Auer and D. Frenkel, Adv. Polym. Sci. 173, 149 (2005).
126. R.J. Allen, P.B. Warren and P.R. ten Wolde, Phys. Rev. Lett. 94, 018104 (2005).
127. R.J. Allen, D. Frenkel and P.R. ten Wolde, J. Chem. Phys. 124, 024102 (2006).
128. Luca M. Ghiringhelli, Jan H. Los, Evert Jan Meijer, et al., J. Phys. Condens. Matter 17, S3619 (2005).
129. I. Saika-Voivod, F. Sciortino and P.H. Poole, Phys. Rev. E 63, 011202 (2000).
130. S.E. Haggerty, Science 285, 851 (1999).
131. U.A. Jorgensen, Nature 332, 702 (1988).
132. J.I. Bergstrahl, E.D. Miner and M.S. Matthews, Uranus (University of Arizona Press, Tucson, 1991).
133. M.J. Kuchner and S. Seager, Astr-phys. 0504214 (2005).
134. L.R. Benedetti, J.H. Nguyen, W.A. Caldwell, et al., Nature 286, 100 (1999).
135. F. Ancilotto, G.L. Chiarotti, S. Scandolo, et al., Science 275, 1288 (1997).
136. S. Scandolo, G. Chiarotti and E. Tosatti, Phys. World 13, 31 (2000).
137. Luca M. Ghiringhelli, Jan H. Los, Evert Jan Meijer, et al., Phys. Rev. Lett. 94, 145701 (2005).
138. J.L. Barrat, J.P. Hansen and R. Mochkovitch, Astron. Astrophys. 199, 15 (1988).
139. S. Scandolo and R. Jeanloz, Am. Sci. 91, 516 (2003).
140. A. Fasolino, J.H. Los and K.I. Katsnelson, Nature Mater. 6, 858 (2007).
141. J.H. Los and A. Fasolino, Comput. Phys. Commun. 147, 178 (2002).
142. H.E.A. Huitema and J.P. van der Eerden, J. Chem. Phys. 110, 3267 (1999).
143. R. Car and M. Parrinello, Phys. Rev. Lett. 55, 2471 (1985).
144. M.A. Kanter, Phys. Rev. 107, 655 (1957).
145. D.V. Fedosayev, B.V. Deryagin and I.G. Varasavskaja, Nauka (Nauka, Moscow, 1984).
146. J.P. Hansen and I.R. McDonald, Theory of Simple Liquids, 3rd ed (Academic Press, New York, 2006).
147. P.G. Debenedetti, Metastahle Liquids (Princeton University Press, Princeton, 1996).