Melting Enthalpy and Entropy of Freestanding Metallic Nanoparticles Based on Cohesive Energy and Average Coordination Number

被引：15

作者：

Omid, Hamed ^{[1
]}

Delavari, Hamid H. ^{[2
]}

Hosseini, Hamid R. Madaah ^{[1
]}

机构：

[1] Sharif Univ Technol, Dept Mat Sci & Engn, Tehran 145889694, Iran

[2] Sharif Univ Technol, Inst Nanosci & Nanotechnol, Tehran 145889694, Iran

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2011年 / 115卷 / 35期

关键词：

THERMODYNAMIC PROPERTIES; SIZE; TEMPERATURE; DEPRESSION; TRANSITION; POINT;

D O I：

10.1021/jp204079s

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

An analytical model is proposed to study the effect of particle size on melting enthalpy and entropy of metallic nanoparticles (NPs). The Mott's and Regel's equations for melting entropy in the combination of core average coordination number (CAC) and surface average coordination number (SAC) of freestanding NPs are considered. Clusters of icosahedral (IC), body centered cubic (BCC), and body centered tetragonal (BCT) structure without any vacancies and defects are modeled. Using the variable coordination number made this model to be in good agreement with experimental and molecular dynamic (MD) results of different crystal structures. The model predicts melting entropy and enthalpy of freestanding NP free of any adjustable parameter or physical constant.

引用

页码：17310 / 17313

页数：4

共 29 条

[1] A simple model for the size and shape dependent Curie temperature of freestanding Ni and Fe nanoparticles based on the average coordination number and atomic cohesive energy [J].

Delavari, H. ;

Hosseini, H. Madaah ;

Simchi, A. .

CHEMICAL PHYSICS, 2011, 383 (1-3) :1-5

[2] Numerical simulations of structural modifications at a Ni-Zr sliding interface [J].

Delogu, F ;

Cocco, G .

PHYSICAL REVIEW B, 2005, 72 (01)

[3] MAGNETIC-PROPERTIES OF ULTRAFINE NICKEL PARTICLES [J].

DU, YW ;

XU, MX ;

JIAN, W ;

SHI, YB ;

LU, HX ;

XUE, RH .

JOURNAL OF APPLIED PHYSICS, 1991, 70 (10) :5903-5905

[4] Size-Dependent Materials Properties Toward a Universal Equation [J].

Guisbiers, G. .

NANOSCALE RESEARCH LETTERS, 2010, 5 (07) :1132-1136

[5] Universal size/shape-dependent law for characteristic temperatures [J].

Guisbiers, G. ;

Buchaillot, L. .

PHYSICS LETTERS A, 2009, 374 (02) :305-308

[6] Modeling the Melting Enthalpy of Nanomaterials [J].

Guisbiers, G. ;

Buchaillot, L. .

JOURNAL OF PHYSICAL CHEMISTRY C, 2009, 113 (09) :3566-3568

[7] Nanotube size-dependent melting of single crystals in carbon nanotubes [J].

Jiang, Q ;

Aya, N ;

Shi, FG .

APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING, 1997, 64 (06) :627-629

[8] Entropy for solid-liquid transition in nanocrystals [J].

Jiang, Q ;

Shi, FG .

MATERIALS LETTERS, 1998, 37 (1-2) :79-82

[9] Melting enthalpy depression of nanocrystals [J].

Jiang, Q ;

Yang, CC ;

Li, JC .

MATERIALS LETTERS, 2002, 56 (06) :1019-1021

[10] SURFACE MELTING ENHANCED BY CURVATURE EFFECTS [J].

KOFMAN, R ;

CHEYSSAC, P ;

AOUAJ, A ;

LEREAH, Y ;

DEUTSCHER, G ;

BENDAVID, T ;

PENISSON, JM ;

BOURRET, A .

SURFACE SCIENCE, 1994, 303 (1-2) :231-246

← 1 2 3 →