A novel method for evaluating the critical nucleus and the surface tension in systems with first order phase transition

被引:14
作者
Cammarota, Chiara
Cavagna, Andrea
机构
[1] Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy
[2] CNR, INFM, Ctr Stat Mech & Complex SMC, I-00185 Rome, Italy
[3] CNR, ISC, I-00185 Rome, Italy
关键词
D O I
10.1063/1.2802449
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
We introduce a novel method for calculating the size of the critical nucleus and the value of the surface tension in systems with first order phase transition. The method is based on classical nucleation theory, and it consists in studying the thermodynamics of a sphere of given radius embedded in a frozen metastable surrounding. The frozen configuration creates a pinning field on the surface of the free sphere. The pinning field forces the sphere to stay in the metastable phase as long as its size is smaller than the critical nucleus. We test our method in two first order systems, both on a two-dimensional lattice: a system where the parameter tuning the transition is the magnetic field, and a second system where the tuning parameter is the temperature. In both cases the results are satisfying. Unlike previous techniques, our method does not require an infinite volume limit to compute the surface tension, and it therefore gives reliable estimates even by using relatively small systems. However, our method cannot be used at, or close to, the critical point, i.e., at coexistence, where the critical nucleus becomes infinitely large. (c) 2007 American Institute of Physics.
引用
收藏
页数:10
相关论文
共 37 条
[1]  
ABRAHAM FF, 1974, HOMOGENEOUS NUCL THE, P36129
[2]   THEORY OF 1ST-ORDER PHASE-TRANSITIONS [J].
BINDER, K .
REPORTS ON PROGRESS IN PHYSICS, 1987, 50 (07) :783-859
[4]   Sampling ensembles of deterministic transition pathways [J].
Bolhuis, PG ;
Dellago, C ;
Chandler, D .
FARADAY DISCUSSIONS, 1998, 110 :421-436
[5]   On the Adam-Gibbs-Kirkpatrick-Thirumalai-Wolynes scenario for the viscosity increase in glasses [J].
Bouchaud, JP ;
Biroli, G .
JOURNAL OF CHEMICAL PHYSICS, 2004, 121 (15) :7347-7354
[6]   LIGHT SCATTERING FROM SURFACE WAVES ON CARBON DIOXIDE NEAR CRITICAL POINT [J].
BOUCHIAT, MA ;
MEUNIER, J .
PHYSICAL REVIEW LETTERS, 1969, 23 (14) :752-&
[7]   FREE ENERGY OF A NONUNIFORM SYSTEM .1. INTERFACIAL FREE ENERGY [J].
CAHN, JW ;
HILLIARD, JE .
JOURNAL OF CHEMICAL PHYSICS, 1958, 28 (02) :258-267
[8]   FREE ENERGY OF A NONUNIFORM SYSTEM .3. NUCLEATION IN A 2-COMPONENT INCOMPRESSIBLE FLUID [J].
CAHN, JW ;
HILLIARD, JE .
JOURNAL OF CHEMICAL PHYSICS, 1959, 31 (03) :688-699
[9]  
CAMMAROTA C, THESIS U ROMA ITALY, P36129
[10]   Glass and polycrystal states in a lattice spin model [J].
Cavagna, A ;
Giardina, I ;
Grigera, TS .
JOURNAL OF CHEMICAL PHYSICS, 2003, 118 (15) :6974-6988