journal article·2012-11

Temperature and size dependency of thermal conductivity of aluminum nanocluster

Farid Taherkhani, Hamed Rezania

Journal of Nanoparticle Research· Volume 14· Issue 11
Publisher page

Abstract

Molecular dynamics simulation has been applied for investigation of coefficient thermal conductivity (CTC) of aluminum nanocluster and its bulk limit via Green–Kubo formalism. The dependence of CTC on size range $$ 256 \le N \le 1,372 $$ is investigated. Temperature dependence of CTC quantity is considered for aluminum nanocluster and its bulk limit in range $$ 300 \le T \le 1,100 $$ K. At low temperature, CTC quantity for aluminum nanocluster is greater than its bulk value. Our results regarding the CTC quantity as a function of size and temperature of aluminum nanocluster show that there is a peak in the thermal conductivity. It is worthwhile to notice that trend and the value of our result for CTC quantity in the bulk of aluminum is in agreement with experimental results.
Source: openaire · Quality: candidate unverified · Source record ↗

Research context

OpenAlex topics: nanoparticles nucleation surface interactions · Thermal properties of materials · Advanced Thermodynamics and Statistical Mechanics

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (37)

Show source-provided references
1. Ahmadi TS, Wang ZL, Green TC, Henglein A, El-Sayed MA (1996) Shape-controlled synthesis of colloidal platinum nanoparticles. Science 272:1924–192510.1126/science.272.5270.1924 ↗
2. Alavi S, Thompson DL (2006) Molecular dynamics simulations of the melting of aluminum nanoparticles. J Phys Chem A 110:1518–152310.1021/jp053318s ↗
3. Allen MP, Tildesley DJ (1997) Computer simulation of liquid. Clarendon, Oxford
4. Baletto F, Ferrando R (2005) Structural properties of nanoclusters: energetic, thermodynamic, and kinetic effects. Rev Mod Phys 77:371–42310.1103/RevModPhys.77.371 ↗
5. Berber S, Kwon YK, Tománek D (2000) Unusually high thermal conductivity of carbon nanotubes. Phys Rev Lett 48:4613–461610.1103/PhysRevLett.84.4613 ↗
6. Bond GC (1987) Heterogeneous catalysis, 3rd edn. Oxford University Press, Oxford
7. de Heer WAD (1993) The physics of simple metal clusters: experimental aspects and simple models. Rev Mod Phys 65:611–676 http://www.efunda.com/materials/elements/TC_Table.cfm?Element_ID=Al10.1103/RevModPhys.65.611 ↗
8. Desai TG (2011) Thermal transport in nanoclusters. Appl Phys Lett 98:193107–19310910.1063/1.3590265 ↗
9. Gao JW, Zheng RT, Ohtani H, Zhu DS, Chen G (2009) Experimental investigation of heat conduction mechanisms in nanofluids. Clue on clustering. Nano Lett 9:4128–413210.1021/nl902358m ↗
10. Guo X, Wang R, Wang X, Hao J (2004) Effects of preparation method and precipitator on the propylene epoxidation over Ag/TS-1 in the gas phase. Catal Today 211:93–95
11. Jain PK, El-Sayed MA (2010) Plasmonic coupling in noble metal nanostructures. Chem Phys Lett 487:153–16410.1016/j.cplett.2010.01.062 ↗
12. Jensen P (1999) Growth of nanostructures by cluster deposition: experiments and simple models. Rev Mod Phys 71:1695–173510.1103/RevModPhys.71.1695 ↗
13. Johnston RL (1998) The development of metallic behaviour in clusters. Philos Trans R Soc Lond A 356:211–23010.1098/rsta.1998.0158 ↗
14. Johnston RL (2002) Atomic and molecular clusters. Taylor & Francis, London10.1201/9781420055771 ↗
15. Jortner JZ (1992) Cluster size effects. Physica D 24:247–275
16. Kim F, Connor S, Song H, Kuykendall T, Yang PD (2004) Platonic gold nanocrystals. Angew Chem Int Ed 43:3673–367710.1002/anie.200454216 ↗
17. Kreibig K, Vollmer M (1995) Optical properties of metal clusters. Springer, New York10.1007/978-3-662-09109-8 ↗
18. Lei Y, Mehmood F, Lee S, Greeley J, Lee B, Seifert S, Winans RE, Elam JW, Meyer RJ, Redfern PC, Teschner D, Schlögl R, Pellin MJ, Curtiss LA, Vajda S (2010) Increased silver activity for direct propylene epoxidation via subnanometer size effects. Science 328:224–22810.1126/science.1185200 ↗
19. Lerme J, Bachelier G, Billaud P, Bonnet C, Broyer M, Cottancin E, Marhaba S, Pellarin M (2008) Optical response of a single spherical particle in a tightly focused light beam: application to the spatial modulation spectroscopy technique. J Opt Soc Am A 25:493–51410.1364/JOSAA.25.000493 ↗
20. Nose S (1990) Constant-temperature molecular dynamics. J Phys Condens Matter 2:115–11910.1088/0953-8984/2/S/013 ↗
21. Noya EG, Doye JPK, Calvo F (2006) Theoretical study of the melting of aluminum clusters. Phys Rev B 73:12540710.1103/PhysRevB.73.125407 ↗
22. Petroski JM, Wang ZL, Green TC, El-Sayed MA (1998) Kinetically controlled growth and shape formation mechanism of platinum nanoparticles. J Phys Chem B 102:3316–332010.1021/jp981030f ↗
23. Qi Y, Cagin T, Johnson WL, Goddard WA (2001) Melting and crystallization in Ni nanoclusters: the mesoscale regime. J Chem Phys 115:385–39410.1063/1.1373664 ↗
24. Rodriguez LJL, Montejano CJM, Pal U, Sanchez RJF, Troiani HE, García D, Miki-Yoshida M, Jose YM (2004) Surface reconstruction and decahedral structure of bimetallic nanoparticles. Phys Rev Lett 92:196102–19610510.1103/PhysRevLett.92.196102 ↗
25. Sankaranarayanan SKRS, Bhethanabotla VR, Joseph B (2005) Molecular dynamics simulation study of the melting of Pd–Pt nanoclusters. Phys Rev B 71:15–195415
26. Schebarchov D, Hendy SC (2007) Thermal instability of decahedral structures in platinum nanoparticles. Eur Phys J D 43:11–1410.1140/epjd/e2007-00057-1 ↗
27. Smith W, Todorov IT (2006) A short description of DL_POLY. Mol Simul 32:935–94310.1080/08927020600939830 ↗
28. Song H, Kim F, Connor S, Somorjai GA, Yang PD (2005) Pt nanocrystals: shape control and Langmuir–Blodgett monolayer formation. J Phys Chem B 109:188–19310.1021/jp0464775 ↗
29. Sun Y, Xia Y (2000) Shape-controlled synthesis of gold and silver nanoparticles. Science 298:2176–217910.1126/science.1077229 ↗
30. Tian N, Zhou ZY, Sun SG, Ding Y, Wang ZL (2007) Synthesis of tetrahexahedral platinum nanocrystals with high-index facets and high electro-oxidation activity. Science 316:732–73510.1126/science.1140484 ↗
31. Tretiakov KV, Scandolo S (2004) Thermal conductivity of solid argon from molecular dynamics simulations. J Chem Phys 120:3765–376910.1063/1.1642611 ↗
32. Vajda S, Lee S, Sell K, Barke I, Kleibert A, Oeynhausen VV, Meiwes BKH, Rodríguez AF, Elam JW, Pellin MM, Lee B, Seifert S, Winans RE (2009) Combined temperature-programmed reaction and it situ X-ray scattering studies of size-selected silver cluster under realistic reaction conditions in the epoxidation of propene. J Chem Phys 131:121104–12110810.1063/1.3237158 ↗
33. Wang X, Xu X, Choi SUS (1999) Thermal conductivity of nanoparticle–fluid mixture. J Thermophys Heat Transf 13:474–48010.2514/2.6486 ↗
34. Warrier P, Teja A (2011) Effect of particle size on the thermal conductivity of nanofluids containing metallic nanoparticles. Nanoscale Res Lett 6:247–25210.1186/1556-276X-6-247 ↗
35. Wen YH, Wu SQ, Zhang JH, Zhu ZZ (2008) The elastic behavior in Ni monocrystal: nonlinear effects. Solid State Commun 146:253–25710.1016/j.ssc.2008.02.020 ↗
36. Wen Y, Fang H, Zhu Z, Sun S (2009) Molecular dynamics investigation of shape effects on thermal characteristics of platinum nanoparticles. Phys Lett A 373:272–27610.1016/j.physleta.2008.11.017 ↗
37. Yao Z, Wang JS, Li B, Liu GL (2005) Thermal conduction of carbon nanotubes using molecular dynamics. Phys Rev B71:085417–08542410.1103/PhysRevB.71.085417 ↗