Thermophysical Properties of Undercooled Alloys: An Overview of the Molecular Simulation Approaches

被引：21

作者：

Lv, Yong J. ^{[2
]}

Chen, Min ^{[1
]}

机构：

[1] Tsinghua Univ, Dept Engn Mech, Beijing 100084, Peoples R China

[2] Beijing Inst Technol, Dept Phys, Minist Educ China, Key Lab Cluster Sci, Beijing 100081, Peoples R China

来源：

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES | 2011年 / 12卷 / 01期

基金：

中国国家自然科学基金;

关键词：

thermophysical property; undercooling; liquid metal and alloy; molecular dynamics simulations; Monte Carlo simulations; EMBEDDED-ATOM-METHOD; MONTE-CARLO-SIMULATION; OSCILLATING DROP METHOD; SURFACE-TENSION; DYNAMICS SIMULATION; TRANSPORT-PROPERTIES; THERMODYNAMIC PROPERTIES; SUPERCOOLED LIQUID; SHEAR VISCOSITY; CU ALLOYS;

D O I：

10.3390/ijms12010278

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

We review the studies on the thermophysical properties of undercooled metals and alloys by molecular simulations in recent years. The simulation methods of melting temperature, enthalpy, specific heat, surface tension, diffusion coefficient and viscosity are introduced and the simulated results are summarized. By comparing the experimental results and various theoretical models, the temperature and the composition dependences of the thermophysical properties in undercooled regime are discussed.

引用

页码：278 / 316

页数：39

共 153 条

[1] Surface tension and density measurement of liquid Si-Cu binary alloys [J].

Adachi, Masayoshi ;

Schick, Michael ;

Brillo, Juergen ;

Egry, Ivan ;

Watanabe, Masahito .

JOURNAL OF MATERIALS SCIENCE, 2010, 45 (08) :2002-2008

[2] First-principles calculation of transport coefficients [J].

Alfè, D ;

Gillan, MJ .

PHYSICAL REVIEW LETTERS, 1998, 81 (23) :5161-5164

[3] First-principles simulations of direct coexistence of solid and liquid aluminum -: art. no. 064423 [J].

Alfè, D .

PHYSICAL REVIEW B, 2003, 68 (06)

[4]

Allen M. P., 1989, Computer Simulation of Liquids, DOI DOI 10.1007/BF00646086

[5] GLASS-FORMING LIQUIDS, ANOMALOUS LIQUIDS, AND POLYAMORPHISM IN LIQUIDS AND BIOPOLYMERS [J].

ANGELL, CA ;

POOLE, PH ;

SHAO, J .

NUOVO CIMENTO DELLA SOCIETA ITALIANA DI FISICA D-CONDENSED MATTER ATOMIC MOLECULAR AND CHEMICAL PHYSICS FLUIDS PLASMAS BIOPHYSICS, 1994, 16 (08) :993-1025

[6]

[Anonymous], THERMOPHYSICAL PROPE

[7] Embedded-atom-method study of structural, thermodynamic, and atomic-transport properties of liquid Ni-Al alloys [J].

Asta, M ;

Morgan, D ;

Hoyt, JJ ;

Sadigh, B ;

Althoff, JD ;

de Fontaine, D ;

Foiles, SM .

PHYSICAL REVIEW B, 1999, 59 (22) :14271-14281

[8] Measurement of Thermophysical Properties of Liquid Metallic Alloys in a Ground- and Microgravity Based Research Programme - the ThermoLab Project [J].

Aune, Ragnhild ;

Battezzati, Livio ;

Brooks, Rob ;

Egry, Ivan ;

Fecht, Hans-Joerg ;

Garandet, Jean-Paul ;

Mills, Ken C. ;

Passerone, Alberto ;

Quested, Peter N. ;

Ricci, Enrica ;

Schneider, Stephan ;

Seetharaman, Seshadri ;

Wunderlich, Rainer K. ;

Vinet, Bernard .

MICROGRAVITY SCIENCE AND TECHNOLOGY, 2005, 16 (1-4) :7-10

[9] SEMIEMPIRICAL MODIFIED EMBEDDED-ATOM POTENTIALS FOR SILICON AND GERMANIUM [J].

BASKES, MI ;

NELSON, JS ;

WRIGHT, AF .

PHYSICAL REVIEW B, 1989, 40 (09) :6085-6100

[10] MODIFIED EMBEDDED-ATOM POTENTIALS FOR CUBIC MATERIALS AND IMPURITIES [J].

BASKES, MI .

PHYSICAL REVIEW B, 1992, 46 (05) :2727-2742

← 1 2 3 4 5 6 7 8 9 10 →