Peculiar features of heat capacity for Cu and Ni nanoclusters

Journal of Nanoparticle Research

Volumn 13, Issue 12, 2011, Pages 6419-6425

  Gafner, S L ^a   Redel, L V ^a   Gafner, Yu Ya ^a   Samsonov, V M ^b  

^a Khakass State University   (Russian Federation)

^b TVER STATE UNIVERSITY   (Russian Federation)

Author keywords

Copper and nickel clusters; Heat capacity; Modeling and simulation; Molecular dynamics

Indexed keywords

BULK MATERIALS; COMPUTER EXPERIMENT; COPPER NANOCLUSTERS; EXPERIMENTAL DATA; FREE CLUSTERS; HEAT CAPACITIES; HIGHER TEMPERATURES; LABORATORY EXPERIMENTS; MODELING AND SIMULATION; MOLECULAR DYNAMICS METHODS; NICKEL CLUSTERS; SURFACE ATOMS; TEMPERATURE RANGE; THEORETICAL PREDICTION; TIGHT BINDING POTENTIAL;

COMPUTER SIMULATION; COPPER; MOLECULAR DYNAMICS; NANOCLUSTERS; NICKEL;

SPECIFIC HEAT;

COPPER; NICKEL;

ARTICLE; ATOM; HEAT; HIGH TEMPERATURE; MOLECULAR DYNAMICS; PARTICLE SIZE; PREDICTIVE VALUE; PRIORITY JOURNAL; SURFACE PROPERTY;

EID: 84857043764     PISSN: 13880764     EISSN: 1572896X     Source Type: Journal    
DOI: 10.1007/s11051-011-0394-z     Document Type: Article

References (28)

1. Chen YY, Yao YD, Jen SU et al (1995a) Magnetic susceptibility and low temperature specific heat of palladium nanocrystals. Nanostruct Mater 6:605-608
2. Chen YY, Yao YD, Lin BT et al (1995b) Specific heat of fine copper particles. Nanostruct Mater 6:597-600
3. Cheng HP, Li X, Whetten RL, Berry RS (1992) Complete statistical thermodynamics of the cluster solid-liquid transition. Phys Rev A 46:791-800
4. Cleri F, Rosato V (1993) Tight-binding potentials for transition metals and alloys. Phys Rev B 48:22-33
5. Comsa GH, Heitkamp D, Rade HS (1976) Specific heat of ultrafine vanadium particles in the temperature range 1.3-10 K. Solid State Commun 20:877-880
6. Gafner SL, Redel LV, Gafner YY (2009) Simulation of the processes of structuring of copper nanoclusters in terms of the tight-binding potential. JETP 108:784-799
7. Goll G, Lohneyen H (1995) Specific heat of nanocrystalline and colloidal noble metals at low temperatures. Nano-struct Mater 6:559-562
8. Gu MX, Sun CQ, Chen Z, Au Yeung TC, Li S, Tan CM, Nosik V (2007) Size, temperature, and bond nature dependence of elasticity and its derivatives on extensibility, Debye temperature, and heat capacity of nanostructures. Phys Rev A 75:125403
9. Gusev AI (2005) Nanomaterials, nanostructures and nano-technologies. Fizmatlit, Moscow, p 416
10. Hoover WG (1985) Canonical dynamics: equilibrium phase-space distributions. Phys Rev A 31:1695-1697
11. Kusche R, Hippler Th, Schmidt M, Issendorf B, Haberland H (1999) Melting of free sodium clusters. J Eur Phys D 9:1-4
12. Lai SK, Lin WD, Wu KL, Li WH, Lee KC (2004) Specific heat and Lindemann-like parameter of metallic clusters: Mono-and polyvalent metals. J Chem Phys 121:1487-1498
13. Liu CS, Xia J, Zh ZG, Sun DY (2001) The cooling rate dependence of crystallization for liquid copper: a molecular dynamics study. J Chem Phys 114:7506-7512 (Pubitemid 32508759)
14. Makarov GN (2010) Experimental methods for determining the melting temperature and the heat of melting of clusters and nanoparticles. Phys Usp 53:179-198
15. Morokhov ID, Petinov VI, Trusov LI, Petrunin VF (1981) Structure and properties of fine metallic particles. Sov Phys Usp 24:295-317
16. Nonnenmacher ThP (1975) Quantum size effect on the specific heat of small particles. Phys Lett A 51:213-214
17. Nosé S (1984a) A molecular dynamics method for simulations in the canonical ensemble. Mol Phys 52:255
18. Nosé S (1984b) A unified formulation of the constant temperature molecular dynamics methods. J Phys Chem 81:511-519
19. Pang T (2006) An introduction to computational physics. Cambridge University Press, Cambridge, p 385
20. Qi Y, Cagin T, Johnson WL, Goddart WA (2001) Melting and crystallization in Ni nanoclusters: the mesoscale regime. J Chem Phys 115:385-394 (Pubitemid 32639830)
21. p) measurements (150-300 K) of nanometer-sized crystalline materials. Phys Rev B 36:7888-7890
22. Salian UA (1998) Microcanonical temperature and "heat capacity" computational of Lennard-Jones clusters under isoergic molecular dynamics simulation. J Chem Phys 108:6342-6346 (Pubitemid 128576258)
23. Schmidt M, Kusche R, Kronmüller W, Issendorf B, Haberland H (1997) Experimental determination of the melting point and heat capacity for a free cluster of 139 sodium atoms. Phys Rev Lett 79:99-102 (Pubitemid 127657486)
24. Sun CQ (2007) Size dependence of nanostructures: impact of bond order deficiency. Prog Solid State Chem 35:1-159 (Pubitemid 44781442)
25. Suzdalev IP (2006) Nanotechnology: physico-chemistry of nanoclusters, nanostructures and nanomaterial. ComKniga, Moscow, p 592 (in Russian)
26. Trampenau J, Bauszus K, Petry W, Herr U (1995) Vibrational behavior of nanocrystalline Ni. Nanostruct Mater 6:551-554
27. Yao YD, Chen YY, Hsu CM et al (1995) Thermal and magnetic studies of nanocrystalline Ni. Nanostruct Mater 6:933-936
28. Zemlyanov MG, Paganova GKh, Syrykh GF, Shikov AA (2006) Size effects on the vibrations of Cu-Pb nanocom-posites. Phys Solid State 48:139-143 (Pubitemid 43263062)