Study of the thermodynamic characteristics of gold nanoclusters using a Gupta many-body potential

Physics of Metals and Metallography

Volumn 111, Issue 1, 2011, Pages 13-20

  Sdobnyakov, N Yu ^a   Komarov, P V ^a   Sokolov, D N ^a   Samsonov, V M ^a  

^a TVER STATE UNIVERSITY   (Russian Federation)

Author keywords

effective specific total surface energy; Gupta potential; hysteresis of melting and crystallization of gold nanoparticles

Indexed keywords

GIBBS SURFACE; GOLD NANOCLUSTER; GUPTA POTENTIAL; MANY-BODY; MANY-BODY POTENTIALS; MELTING AND CRYSTALLIZATION; SIZE DEPENDENCE; THERMODYNAMIC CHARACTERISTICS; TOTAL SURFACE ENERGY;

CRYSTALLIZATION; HYSTERESIS; INTERFACIAL ENERGY; MELTING; MONTE CARLO METHODS; NANOCLUSTERS; NANOPARTICLES; SURFACE CHEMISTRY;

GOLD;

EID: 79551564516     PISSN: 0031918X     EISSN: None     Source Type: Journal    
DOI: 10.1134/S0031918X11010121     Document Type: Article

References (37)

1. F. Cleri V. Rosato 1993 Tight-Binding Potentials for Transition Metals and Alloys Phys. Rev. B: Condens. Matter 48 1 22 33 1:CAS:528:DyaK3sXmsFKktL4%3D 10.1103/PhysRevB.48.22
2. J. Guevara A. M. Llois M. Weissmann 1995 Model Potential Based on Tight-Binding Total-Energy Calculations for Transition-Metal Systems Phys. Rev. B: Condens. Matter 52 15 11509 11516 1:CAS:528:DyaK2MXovVOmtrw%3D 10.1103/PhysRevB.52.11509
3. K. Chamati N. L. Papanicolaou 2004 Second-Moment Interatomic Potential for Gold and Its Application to Molecular-Dynamics Simulations J. Phys.: Condens. Matter 16 46 8399 8407 1:CAS:528:DC%2BD2cXhtVOmurrO 10.1088/0953-8984/16/46/025
4. R. P. Gupta 1981 Lattice Relaxation at a Metal Surface Phys. Rev. B: Condens. Matter 23 12 6265 6270 1:CAS:528:DyaL3MXkvVCgs78%3D 10.1103/PhysRevB.23.6265
5. N. T. Wilson R. L. Johnson 2002 A Theoretical Study of Atom Ordering in Copper-Gold Nanoalloy Clusters J. Mater. Chem. 12 2913 2922 1:CAS:528: DC%2BD38Xntlyiurc%3D 10.1039/b204069g
6. W. Thomson 1871 On the Equilibrium of Vapour at a Curved Surface of Liquid Philos., Mag. Ser. 4 42 282 448 452
7. A. I. Gusev, Nanomaterials, Nanostructures, Nanotechnologies (Fizmatlit, Moscow, 2005) [in Russian].
8. V. P. Skripov and V. P. Koverda, Spontaneous Crystallization of Supercooled Liquids (Nauka, Moscow, 1984) [in Russian].
9. K.-J. Hanszen 1960 Theoretische Untersuchungen uber den Schmelzpunkt kleiner Kugelchen Z. Phys. 157 5 523 557 1:CAS:528:DyaF3cXjt1WqsQ%3D%3D 10.1007/BF01340711
10. C. R. M. Wronski 1967 The Size Dependence of the Melting Point of Small Particles of Tin Brit. J. Appl. Phys. 18 12 1731 1733 1:CAS:528: DyaF1cXjtlCltQ%3D%3D 10.1088/0508-3443/18/12/308
11. C. J. Coombes 1972 The Melting of Small Particles of Lead and Indium J. Phys. F: Met. Phys 2 3 441 449 1:CAS:528:DyaE38Xkt1Ggu7c%3D 10.1088/0305-4608/2/ 3/013
12. V. M. Samsonov V. V. Dronnikov O. A. Mal'kov 2004 The Size Dependence of the Melting Temperature of Nanocrystals Zh. Fiz. Khim. 78 7 1203 1207 1:CAS:528:DC%2BD2cXoslSku7s%3D
13. Russ. J. Phys. Chem. A 78 (7), 1044-1047 (2004)
14. V. M. Samsonov O. A. Malkov 2004 Thermodynamic Model of Crystallization and Melting of Small Particles Centr. Eur. J. Phys. 2 1 90 103 1:CAS:528:DC%2BD2cXjslGlt70%3D 10.2478/BF02476274 (Pubitemid 44262540)
15. P. M. Valov V. I. Leiman 1999 Size Effects in Exciton Energy and First-Order Phase Transformations in CuCl Nanocrystals in Glass Fiz. Tverd. Tela 41 2 310 318
16. E. Sondergard R. Kofman P. Cheyssac, et al. 1997 Measurement of the Wetting Angle of Nanoparticles Using Surface Melting Surf. Sci. 388 1-3 L1115 L1120 1:CAS:528:DyaK2sXntVyktr4%3D 10.1016/S0039-6028(97)00512-8
17. V. M. Samsonov 2002 Conditions for the Applicability of a Thermodynamic Description of Highly Disperse and Microheterogeneous Systems Zh. Fiz. Khim. 76 11 2063 2067
18. Russ. J. Phys. Chem. A 76 (11), 1863-1867 (2002)
19. Y. Wang S. Teitel C. Dellago 2004 Melting and Equilibrium Shape of Icosahedral Gold Nanoparticles Chem. Phys. Lett. 394 4-6 257 261 1:CAS:528:DC%2BD2cXmsVWqu7k%3D 10.1016/j.cplett.2004.06.139
20. L. V. Zherenkova P. V. Komarov P. G. Khalatur 2007 Simulation of the Metallization of a Fragment of a Deoxyribonucleic Acid Molecule with Gold Nanoparticles Kolloidn. Zh. 69 6 753 765
21. Colloid J. 69 (6), 706-717 (2007)
22. N. Metropolis A. W. Rosenbluth M. N. Rosenbluth, et al. 1953 Equation of State Calculations by Fast Computing Machines J. Chem. Phys. 21 16 1087 1092 1:CAS:528:DyaG3sXltlKhsw%3D%3D 10.1063/1.1699114
23. X. Yu P. M. Duxbury 1995 Kinetics of Nonequilibrium Shape Change in Gold Clusters Phys. Rev. B: Condens. Matter 52 3 2102 2106 1:CAS:528: DyaK2MXntVCisL4%3D 10.1103/PhysRevB.52.2102
24. Ph. Buffat J.-P. Borel 1976 Size Effect on the Melting Temperature of Gold Particles Phys. Rev. A 13 6 2287 2298 1:CAS:528:DyaE28XkvVenu7c%3D 10.1103/PhysRevA.13.2287
25. H.-S. Nam N. M. Hwang B. D. Yu J.-K. Yoon 2002 Formation of an Icosahedral Structure during the Freezing of Gold Nanoclusters: Surface-Induced Mechanism Phys. Rev. Lett. 89 275502 10.1103/PhysRevLett.89.275502
26. V. M. Samsonov S. S. Kharechkin Yu. Ya. Gafner S. L. Gafner 2009 Molecular Dynamics Study of the Melting and Crystallization of Nanoparticles Kristallografiya 54 3 563 569
27. Crystallogr. Rep. 54 (3), 526-531 (2009)
28. R. Kofman P. Cheyssac Y. Lereah A. Stella 1999 Melting of Clusters Approaching 0D Eur. Phys. J. D 9 441 444 1:CAS:528:DC%2BD3cXhslSgtQ%3D%3D 10.1007/s100530050475
29. V. M. Samsonov A. N. Bazulev N. Yu. Sdobnyakov 2003 Surface Tension in Small Droplets and Nanocrystals Russ. J. Phys. Chem. A 77 Suppl.1 158 162
30. Kh. B. Khokonov, Surface Effects in Melts and Solid Phases Arising in Them (Shtiintsa, Kishinev, 1974), pp. 190-261 [in Russian].
31. R. C. Tolman 1949 The Effect of Droplet Size on Surface Tension J. Chem. Phys. 17 2 333 337 1:CAS:528:DyaH1MXivVOltQ%3D%3D 10.1063/1.1747247
32. J. Sonnefeld, et al. 1992 The Influence of the Choice of a Suitable Dividing Surface on the Results of Surface-Charge Density Calculations Z. Physik. Chem. 176 199 209 1:CAS:528:DyaK3sXlt1GktL8%3D
33. A. I. Rusanov Phase Equilibria and Surface Effects (Khimiya, Lenjngrad, 1967) [in Russian]; (Berlin, 1978) [in German].
34. V. M. Samsonov and N. Yu. Sdobnyakov, "Conditions of Thermodynamic Stability of Nanoparticles," Poverkhnost', No. 2, 73-78 (2004).
35. M. Schmidt R. Kusche B. Issendroff H. Haberland 1998 Irregular Variations in the Melting Point of Size-Selected Atomic Clusters Nature. 393 238 240 1:CAS:528:DyaK1cXjtlymtLk%3D 10.1038/30415 (Pubitemid 28261715)
36. A. Yu. Gufan M. A. Gufan 2008 Theory of Melting of Submicron Crystalline Globules Izv. Ross. Acad. Nauk, Ser. Fiz. 72 10 490 1492
37. Bull. Russ. Acad. Sci.: Phys. 72 (10), 1413-1415 (2008)