Coupling of structural and energetic fluctuations in Co nanometre-sized particles

被引：5

作者：

Delogu, F. ^{[1
]}

机构：

[1] Univ Cagliari, Dipartimento Ingn Chim & Mat, I-09123 Cagliari, Italy

来源：

NANOTECHNOLOGY | 2006年 / 17卷 / 08期

关键词：

D O I：

10.1088/0957-4484/17/8/040

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

Molecular dynamics simulations have been employed to investigate the dynamic behaviour of an unsupported Co particle of about 5 nm in size. Surface effects induce a martensitic hcp-to-fcc phase transition at temperatures significantly lower than the one observed in the case of bulk systems. The transformation nucleates at the surface and is mediated by atoms with defective coordination. Under proper conditions, the crystalline arrangement undergoes an oscillating behaviour governed by fluctuations in the potential energy of atoms in the interior of the particle.

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页码：2027 / 2031

页数：5

相关论文

共 16 条

[1] Semiconductor clusters, nanocrystals, and quantum dots [J].

Alivisatos, AP .

SCIENCE, 1996, 271 (5251) :933-937

[2]

Allen M. P., 2017, Computer Simulation of Liquids, VSecond, DOI [10.1093/oso/9780198803195.001.0001, DOI 10.1093/OSO/9780198803195.001.0001]

[3] MOLECULAR-DYNAMICS SIMULATIONS AT CONSTANT PRESSURE AND-OR TEMPERATURE [J].

ANDERSEN, HC .

JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (04) :2384-2393

[4] TIGHT-BINDING POTENTIALS FOR TRANSITION-METALS AND ALLOYS [J].

CLERI, F ;

ROSATO, V .

PHYSICAL REVIEW B, 1993, 48 (01) :22-33

[5] Stability of phase coexistence in atomic clusters [J].

Hendy, SC .

PHYSICAL REVIEW B, 2005, 71 (11)

[6]

Hill TL, 2001, NANO LETT, V1, P273, DOI [10.1021/nl010027w, 10.1021/n1010027w]

[7] MOLECULAR-DYNAMICS STUDY OF MELTING AND FREEZING OF SMALL LENNARD-JONES CLUSTERS [J].

HONEYCUTT, JD ;

ANDERSEN, HC .

JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (19) :4950-4963

[8] Molecular-dynamic simulations of martensitic transformation of cobalt [J].

Jiang, M ;

Oikawa, K ;

Ikeshoji, T .

METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE, 2005, 36A (09) :2307-2314

[9] Nanostructured advanced materials. Perspectives and directions [J].

Jortner, J ;

Rao, CNR .

PURE AND APPLIED CHEMISTRY, 2002, 74 (09) :1491-1506

[10] Solid/liquid two-phase structures in isolated nanometer-sized alloy particles [J].

Lee, JG ;

Mori, H .

PHYSICAL REVIEW B, 2004, 70 (14) :144105-1