Bcc crystal-fluid interfacial free energy in Yukawa systems

Journal of Chemical Physics

Volumn 138, Issue 4, 2013, Pages

  Heinonen, V ^a   Mijailovic A ^b   Achim, C V ^a,b   Ala Nissila, T ^a,c   Rozas, R E ^b   Horbach, J ^b   Lowen H ^b  

^a AALTO UNIVERSITY   (Finland)

^b HEINRICH HEINE UNIVERSITY   (Germany)

^c BROWN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BODY-CENTERED CUBIC; FACE-CENTERED CUBIC; FIELD THEORY; HIGH-ORDER; INTER-PARTICLE SPACING; INTERFACIAL FREE ENERGY; MANY-PARTICLE SYSTEMS; MOLECULAR DYNAMICS COMPUTER SIMULATIONS; PAIR POTENTIAL; YUKAWA SYSTEMS;

COMPUTER SIMULATION; DENSITY FUNCTIONAL THEORY; MOLECULAR DYNAMICS;

FREE ENERGY;

EID: 84873576612     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4775744     Document Type: Article

References (63)

1. D. P. Woodruff, The Solid-Liquid Interface (Cambridge University Press, Cambridge/England, 1980).
2. K. Binder and M. Müller, Int. J. Mod. Phys. C 11, 1093 (2000). 10.1142/S012918310000095X
3. J. J. Hoyt, M. Asta, and A. Karma, Phys. Rev. Lett. 86, 5530 (2001). 10.1103/PhysRevLett.86.5530
4. R. L. Davidchack, J. R. Morris, and B. B. Laird, J. Chem. Phys. 125, 094710 (2006). 10.1063/1.2338303
5. T. Zykova-Timan, R. E. Rozas, J. Horbach, and K. Binder, J. Phys.: Condens. Matter 21, 464102 (2009). 10.1088/0953-8984/21/46/464102
6. T. Zykova-Timan, J. Horbach, and K. Binder, J. Chem. Phys. 133, 014705 (2010). 10.1063/1.3455504
7. R. E. Rozas and J. Horbach, Europhys. Lett. 93, 26006 (2011). 10.1209/0295-5075/93/26006
8. A. Härtel, M. Oettel, R. E. Rozas, S. U. Egelhaaf, J. Horbach, and H. Löwen, Phys. Rev. Lett. 108, 226101 (2012). 10.1103/PhysRevLett.108. 226101
9. Y. Singh, Phys. Rep. 207, 351 (1991). 10.1016/0370-1573(91)90097-6
10. H. Löwen, Phys. Rep. 237, 249 (1994). 10.1016/0370-1573(94)90017-5
11. J. Z. Wu, AIChE J. 52, 1169 (2006). 10.1002/aic.10713
12. J. F. Lutsko, Adv. Chem. Phys. 144, 1 (2010). 10.1002/9780470564318
13. W. A. Curtin, Phys. Rev. Lett. 59, 1228 (1987). 10.1103/PhysRevLett.59. 1228
14. W. A. Curtin, Phys. Rev. B 39, 6775 (1989). 10.1103/PhysRevB.39.6775
15. R. Ohnesorge, H. Löwen, and H. Wagner, Phys. Rev. E 50, 4801 (1994). 10.1103/PhysRevE.50.4801
16. D. W. Marr and A. P. Gast, Phys. Rev. E 47, 1212 (1993). 10.1103/PhysRevE.47.1212
17. H. Löwen, T. Beier, and H. Wagner, Europhys. Lett. 9, 791 (1989). 10.1209/0295-5075/9/8/009
18. R. Ohnesorge, H. Löwen, and H. Wagner, Phys. Rev. A 43, 2870 (1991). 10.1103/PhysRevA.43.2870
19. C. N. Likos, Z. T. Németh, and H. Löwen, J. Phys.: Condens. Matter 6, 10965 (1994). 10.1088/0953-8984/6/50/007
20. A. R. Denton and H. Löwen, Phys. Rev. Lett. 81, 469 (1998). 10.1103/PhysRevLett.81.469
21. J.-L. Barrat, J.-P. Hansen, G. Pastore, and E. M. Waisman, J. Chem. Phys. 86, 6360 (1987). 10.1063/1.452422
22. See, e.g., A. Dekuiper, W. L. Vos, J. L. Barrat, J. P. Hansen, and J. A. Schouten, J. Chem. Phys. 93, 5187 (1990). 10.1063/1.458657
23. A. J. Archer, Phys. Rev. E 72, 051501 (2005). 10.1103/PhysRevE.72.051501
24. T. V. Ramakrishnan and M. Yussouff, Phys. Rev. B 19, 2775 (1979). 10.1103/PhysRevB.19.2775
25. M. Renkin and J. Hafner, J. Chem. Phys. 94, 541 (1991). 10.1063/1.460373
26. D. C. Wang and A. P. Gast, J. Chem. Phys. 112, 2826 (2000). 10.1063/1.480857
27. D. C. Wang, and A. P. Gast, J. Phys.: Condens. Matter 11, 10133 (1999). 10.1088/0953-8984/11/50/307
28. K. R. Elder, N. Provatas, J. Berry, P. Stefanovic, and M. Grant, Phys. Rev. B 75, 064107 (2007). 10.1103/PhysRevB.75.064107
29. S. van Teeffelen, H. Löwen, R. Backofen, and A. Voigt, Phys. Rev. E 79, 051404 (2009). 10.1103/PhysRevE.79.051404
30. H. Emmerich, H. Löwen, R. Wittkowski, T. Gruhn, G. I. Tóth, G. Tegze, and L. Gránásy, Adv. Phys. 61, 665 (2012). 10.1080/00018732.2012.737555
31. K. R. Elder, M. Katakowski, M. Haataja, and M. Grant, Phys. Rev. Lett. 88, 245701 (2002). 10.1103/PhysRevLett.88.245701
32. K. R. Elder and M. Grant, Phys. Rev. E 70, 051605 (2004). 10.1103/PhysRevE.70.051605
33. D. Y. Sun, M. Asta, J. J. Hoyt, M. I. Mendelev, and D. J. Srolovitz, Phys. Rev. B 69, 020102(R) (2004). 10.1103/PhysRevB.69.020102
34. A. Jaatinen, C. V. Achim, K. R. Elder, and T. Ala-Nissila, Phys. Rev. E 80, 031602 (2009). 10.1103/PhysRevE.80.031602
35. A. Jaatinen, C. V. Achim, K. R. Elder, and T. Ala-Nissila, Tech. Mech. 30, 169 (2010).
36. H. Löwen and G. Kramposthuber, Europhys. Lett. 23, 683 (1993). 10.1209/0295-5075/23/9/009
37. H. Löwen and E. Allahyarov, J. Phys.: Condens. Matter 10, 4147 (1998). 10.1088/0953-8984/10/19/003
38. C. P. Royall, M. E. Leunissen, A.-P. Hynninen, M. Dijkstra, and A. van Blaaderen, J. Chem. Phys. 124, 244706 (2006). 10.1063/1.2189850
39. G. E. Morfill and A. V. Ivlev, Rev. Mod. Phys. 81, 1353 (2009). 10.1103/RevModPhys.81.1353
40. A. V. Ivlev, H. Löwen, G. E. Morfill, and C. P. Royall, Complex Plasmas and Colloidal Dispersions: Particle-Resolved Studies of Classical Liquids and Solids (World Scientific, Singapore, 2012).
41. S. A. Khrapak, B. A. Klumov, P. Huber, V. I. Molotkov, A. M. Lipaev, V. N. Naumkin, H. M. Thomas, A. V. Ivlev, G. E. Morfill, O. F. Petrov, V. E. Fortov, Y. Malentschenko, and S. Volkov, Phys. Rev. Lett. 106, 205001 (2011). 10.1103/PhysRevLett.106.205001
42. M. O. Robbins, K. Kremer, and G. S. Grest, J. Chem. Phys. 88, 3286 (1988). 10.1063/1.453924
43. E. J. Meijer and D. Frenkel, J. Chem. Phys. 94, 2269 (1991). 10.1063/1.459898
44. S. Hamaguchi, R. T. Farouki, and D. H. Dubin, Phys. Rev. E 56, 4671 (1997). 10.1103/PhysRevE.56.4671
45. O. S. Vaulina, S. A. Khrapak, and G. E. Morfill, Phys. Rev. E 66, 016404 (2002). 10.1103/PhysRevE.66.016404
46. A. Mijailovic, R. E. Rozas, J. Horbach, and H. Löwen, " Liquid-solid interfacial free energy of fcc Yukawa systems. " (unpublished).
47. F. Spaepen, Acta Metall. 23, 729 (1975). 10.1016/0001-6160(75)90056-5
48. F. Spaepen and R. B. Meyer, Scr. Metall. 10, 257 (1976). 10.1016/0036-9748(76)90374-4
49. A. Alexander and J. McTague, Phys. Rev. Lett. 41, 702 (1978). 10.1103/PhysRevLett.41.702
50. H. C. Andersen, J. Chem. Phys. 72, 2384 (1980). 10.1063/1.439486
51. M. D. Carbajal-Tinoco, J. Chem. Phys. 128, 184507 (2008). 10.1063/1.2918495
52. A. Jaatinen and T. Ala-Nissila, Phys. Rev. E 82, 061602 (2010). 10.1103/PhysRevE.82.061602
53. M. Oettel, S. Dorosz, M. Berghoff, B. Nestler, and T. Schilling, Phys. Rev. E 86, 021404 (2012). 10.1103/PhysRevE.86.021404
54. P. J. Steinhardt, D. R. Nelson, and M. Ronchetti, Phys. Rev. B 28, 784 (1983). 10.1103/PhysRevB.28.784
55. P. R. Ten Wolde, M. J. Ruiz-Montero, and D. Frenkel, Phys. Rev. Lett. 75, 2714 (1995). 10.1103/PhysRevLett.75.2714
56. W. R. Fehlner and S. H. Vosko, Can. J. Phys. 54, 2160 (1976). 10.1139/p76-256
57. P. Wette, H.-J. Schöpe, and T. Palberg, J. Chem. Phys. 123, 174902 (2005). 10.1063/1.2075047
58. D. M. Herlach, I. Klaasen, P. Wette, and D. Holland-Moritz, J. Phys.: Condens. Matter 22, 153101 (2010). 10.1088/0953-8984/22/15/153101
59. T. Palberg, J. Phys.: Condens. Matter 11, R323 (1999). 10.1088/0953-8984/11/28/201
60. J. D. Weeks, J. Chem. Phys. 67, 3106 (1977). 10.1063/1.435276
61. R. L. Davidchack and B. B. Laird, Phys. Rev. Lett. 94, 086102 (2005). 10.1103/PhysRevLett.94.086102
62. H. Löwen, J. Phys.: Condens. Matter 22, 364105 (2010). 10.1088/0953-8984/22/36/364105
63. C. V. Achim, R. Wittkowski, and H. Löwen, Phys. Rev. E 83, 061712 (2011). 10.1103/PhysRevE.83.061712