The favored cluster structures of model glass formers

被引:81
作者
Doye, JPK
Wales, DJ
Zetterling, FHM
Dzugutov, M
机构
[1] Univ Cambridge, Chem Lab, Cambridge CB2 1EW, England
[2] Royal Inst Technol, Dept Numer Anal, SE-10044 Stockholm, Sweden
关键词
D O I
10.1063/1.1534831
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 examine the favored cluster structures for two new interatomic potentials, which both behave as monatomic model glass formers in bulk. We find that the oscillations in the potential lead to global minima that are noncompact arrangements of linked 13-atom icosahedra. The structural properties of the clusters correlate with the glass forming propensities of the potentials, and with the fragilities of the corresponding supercooled liquids. (C) 2003 American Institute of Physics.
引用
收藏
页码:2792 / 2799
页数:8
相关论文
共 42 条
[1]   Quasisaddles as relevant points of the potential energy surface in the dynamics of supercooled liquids [J].
Angelani, L ;
Di Leonardo, R ;
Ruocco, G ;
Scala, A ;
Sciortino, F .
JOURNAL OF CHEMICAL PHYSICS, 2002, 116 (23) :10297-10306
[2]   Ten questions on glassformers, and a real space 'excitations' model with some answers on fragility and phase transitions [J].
Angell, CA .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2000, 12 (29) :6463-6475
[3]   FORMATION OF GLASSES FROM LIQUIDS AND BIOPOLYMERS [J].
ANGELL, CA .
SCIENCE, 1995, 267 (5206) :1924-1935
[4]  
[Anonymous], SOLID STATE PHYS
[5]  
[Anonymous], 1999, GEOMETRIC FRUSTRATIO
[6]  
[Anonymous], 1988, INTRO QUASICRYSTALS
[7]   Growing range of correlated motion in a polymer melt on cooling towards the glass transition [J].
Bennemann, C ;
Donati, C ;
Baschnagel, J ;
Glotzer, SC .
NATURE, 1999, 399 (6733) :246-249
[8]   NEW REFINEMENTS OF GAMMA-BRASS TYPE STRUCTURES CU5ZN8, CU5CD8 AND FE3ZN10 [J].
BRANDON, JK ;
BRIZARD, RY ;
CHIEH, PC ;
MCMILLAN, RK ;
PEARSON, WB .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1974, B 30 (JUN15) :1412-1417
[9]   Supercooled liquids and the glass transition [J].
Debenedetti, PG ;
Stillinger, FH .
NATURE, 2001, 410 (6825) :259-267
[10]   Off-equilibrium effective temperature in monatomic Lennard-Jones glass [J].
Di Leonardo, R ;
Angelani, L ;
Parisi, G ;
Ruocco, G .
PHYSICAL REVIEW LETTERS, 2000, 84 (26) :6054-6057