Superheating and melting behaviors of Ag clusters with Ni coating studied by molecular dynamics and experiments
作者： Fengting Xu , Jian Zhong , Zhaohui Jin , Ke Lu
DOI: 10.1007/BF02916696
关键词: Molecular dynamics 、 Differential scanning calorimetry 、 Crystallography 、 Melting-point depression 、 Coating 、 Materials science 、 Crystal 、 Cluster (physics) 、 Analytical chemistry 、 Superheating 、 Melting point
摘要: Using molecular dynamics with embedded-atom-type interatomic potentials, we simulated the melting behavior of a spherical Ag-3055 cluster coated Ni. The semi-coherent Ag/Ni interface formed at low temperatures acts as an effective barrier against surface and leads to substantial superheating Ag cluster. point was found be about 100 K above equilibrium bulk crystal (1230 +/- 15 K) 290 that (1040 free Ag3055 A 70 observed in high-temperature differential scanning calorimetry measurement for particles mean size 30 nm embedded Ni matrix prepared by means melt-spinning. Melting is initiated locally defective interfacial area then propagates inwards, suggesting heterogeneously nucleated event interface.
springer.com
harvard.edu
irgrid.ac.cn参考文章(17)
B Pluis, D Frenkel, J.F van der Veen, Surface-induced melting and freezing. II, A semi-empirical landau-type model Surface Science. ,vol. 239, pp. 282- 300 ,(1990) , 10.1016/0039-6028(90)90231-V
Alfred René Ubbelohde, Melting and Crystal Structure ,(1965)
Furio Ercolessi, Wanda Andreoni, Erio Tosatti, Melting of small gold particles: Mechanism and size effects. Physical Review Letters. ,vol. 66, pp. 911- 914 ,(1991) , 10.1103/PHYSREVLETT.66.911
S. M. Foiles, Calculation of the surface segregation of Ni-Cu alloys with the use of the embedded-atom method Physical Review B. ,vol. 32, pp. 7685- 7693 ,(1985) , 10.1103/PHYSREVB.32.7685
J. Mei, J. W. Davenport, G. W. Fernando, Analytic embedded-atom potentials for fcc metals: Application to liquid and solid copper Physical Review B. ,vol. 43, pp. 4653- 4658 ,(1991) , 10.1103/PHYSREVB.43.4653
Murray S. Daw, M. I. Baskes, Semiempirical, Quantum Mechanical Calculation of Hydrogen Embrittlement in Metals Physical Review Letters. ,vol. 50, pp. 1285- 1288 ,(1983) , 10.1103/PHYSREVLETT.50.1285
J.-P. Borel, Thermodynamical size effect and the structure of metallic clusters Surface Science Letters. ,vol. 106, pp. 1- 9 ,(1981) , 10.1016/0167-2584(81)90298-X
A.R. Miedema, F.R. de Boer, R. Boom, Model predictions for the enthalpy of formation of transition metal alloys Calphad. ,vol. 1, pp. 341- 359 ,(1977) , 10.1016/0364-5916(77)90011-6
L. Grb, J. Bohr, H. H. Andersen, A. Johansen, E. Johnson, L. Sarholt-Kristensen, I. K. Robinson, Melting, growth, and faceting of lead precipitates in aluminum Physical Review B. ,vol. 45, pp. 2628- 2637 ,(1992) , 10.1103/PHYSREVB.45.2628
Robert W. Cahn, Materials science: Melting and the surface Nature. ,vol. 323, pp. 668- 669 ,(1986) , 10.1038/323668A0