CRYSTALLIZATION OF LIQUID WATER IN A MOLECULAR-DYNAMICS SIMULATION

被引:244
作者
SVISHCHEV, IM
KUSALIK, PG
机构
[1] Department of Chemistry, Dalhousie University, Halifax
关键词
D O I
10.1103/PhysRevLett.73.975
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
In this Letter we report our success in crystallizing a bulk sample of liquid water in molecular dynamics simulations. In these computer experiments supercooled liquid TIP4P water at 250 K was subjected to a homogeneous static electric field; the resulting polar crystal which forms within 200 ps has the structure of ice I(c). These simulation results suggest that the local electric fields that exist near the surfaces of various materials or within confined geometries can play an important role in promoting the crystallization of liquid water.
引用
收藏
页码:975 / 978
页数:4
相关论文
共 29 条
[1]  
ALLEN MP, 1987, COMPUTER STIMULATION
[2]  
[Anonymous], 2005, STRUCTURE PROPERTIES
[3]  
Drost-Hansen W., 1992, FUND MED C A, V3a, P157
[4]  
Evans D. J., 1990, STAT MECH NONEQUI LI
[5]  
FINCHAM D, 1985, ADV CHEM PHYS, V63, P493
[6]  
Franks F., 1972, WATER COMPREHENSIVE, V1-7
[7]  
Franks F., 1972, WATER COMPREHENSIVE, V7
[8]   THE ROLE OF CRYSTAL POLARITY IN ALPHA-AMINO-ACID CRYSTALS FOR INDUCED NUCLEATION OF ICE [J].
GAVISH, M ;
WANG, JL ;
EISENSTEIN, M ;
LAHAV, M ;
LEISEROWITZ, L .
SCIENCE, 1992, 256 (5058) :815-818
[9]  
HOBB PV, 1974, ICE PHYSICS
[10]  
HOBBS PV, 1974, ICE PHYSICS