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Melting of Pb clusters without free surfaces
Z. H. Jin; H. W. Sheng; K. Lu
1999
Source PublicationPhysical Review B
ISSN1098-0121
Volume60Issue:1Pages:141-149
AbstractMelting behaviors of Pb clusters without free surfaces have been studied using molecular dynamics and the Sutton-Chen (SC) potential. Two Pb clusters (Pb(N), with N= 201 and 249) are selected and each of them has been embedded in the core of an Al(4033) cubo-octahedron, but with different orientation relationship with Al coatings. For the Pb(201) cluster, where a parallel cube-cube relationship exists with the Al lattice, semicoherent interfaces can be formed and the core can be superheated up to 750 K, in comparing to the equilibrium melting point of 615+/- 10 K for bulk Pb predicted using the SC potential. On further elevating the temperature, a simultaneous melting of both the Pb core and the outer Al coating will occur. For the Pb(249) cluster without a parallel orientation relationship with Al, no effective semicoherent interface can be formed, and the core premelts at about 500 K without breaking the crystalline structure of Al shells. The melting point of the Pb inclusions can be predicted using thermodynamic relations. For different Pb-Al interfaces, two melting mechanisms exist: one is the homogeneous melting which leads to a melting point elevation and the other is the heterogeneous melting which can induce a melting point depression. [S0163-1829(99)09625-3].
description.departmentchinese acad sci, inst met res, state key lab rapidly nonequilibrium alloys, shenyang 110015, peoples r china.;jin, zh (reprint author), chinese acad sci, inst met res, state key lab rapidly nonequilibrium alloys, shenyang 110015, peoples r china;zhjin@imr.ac.cn
KeywordMolecular-dynamics Particles Aluminum Crystal Lattice Point Al Nanocrystals Transition Nucleation
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WOS IDWOS:000081551100034
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Cited Times:82[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/37388
Collection中国科学院金属研究所
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GB/T 7714
Z. H. Jin,H. W. Sheng,K. Lu. Melting of Pb clusters without free surfaces[J]. Physical Review B,1999,60(1):141-149.
APA Z. H. Jin,H. W. Sheng,&K. Lu.(1999).Melting of Pb clusters without free surfaces.Physical Review B,60(1),141-149.
MLA Z. H. Jin,et al."Melting of Pb clusters without free surfaces".Physical Review B 60.1(1999):141-149.
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