A genetic algorithm for Lennard-Jones atomic clusters

被引：42

作者：

Barrón, C ^{[1
]}

Gómez, S

Romero, D

Saavedra, A

机构：

[1] Univ Nacl Autonoma Mexico, Fac Ciencias, Mexico City, DF, Mexico

[2] Univ Nacl Autonoma Mexico, IIMAS, Mexico City, DF, Mexico

[3] Univ Nacl Autonoma Mexico, Inst Matemat, Cuernavaca, Morelos, Mexico

[4] UAM Iztapalapa, Dept Matemat, Mexico City, DF, Mexico

来源：

APPLIED MATHEMATICS LETTERS | 1999年 / 12卷 / 07期

关键词：

atomic cluster; Lennard-Jones; genetic algorithm; global optimization;

D O I：

10.1016/S0893-9659(99)00106-8

中图分类号：

O29 [应用数学];

学科分类号：

070104 ;

摘要：

In regard to the problem of determining minimum L-J configurations for clusters of n atoms, we present here a genetic algorithm able to reproduce all best-known solutions in the 13 < n < 147 size range. These include not only the classical structures adhering to the icosahedral-growth, but also seven icosahedral structures with incomplete core, six more following the Marks decahedron geometry, and the unique (n = 38) face-centered cubic configuration that has been found in this range. (C) 1999 Elsevier Science Ltd. All rights reserved.

引用

页码：85 / 90

页数：6

共 18 条

[1] Archimedean polyhedron structure yields a lower energy atomic cluster
Barron, C
Gomez, S
Romero, D
[J]. APPLIED MATHEMATICS LETTERS, 1996, 9 (05) : 75 - 78
[2] Lower energy icosahedral atomic clusters with incomplete core
Barron, C
Gomez, S
Romero, D
[J]. APPLIED MATHEMATICS LETTERS, 1997, 10 (05) : 25 - 28
[3] BARRON C, 1997, INT S MATH PROG AUG
[4] THE ENERGETICS AND STRUCTURE OF NICKEL CLUSTERS - SIZE DEPENDENCE
CLEVELAND, CL
LANDMAN, U
[J]. JOURNAL OF CHEMICAL PHYSICS, 1991, 94 (11) : 7376 - 7396
[5] Deaven DM, 1996, CHEM PHYS LETT, V256, P195, DOI 10.1016/0009-2614(96)00406-X
[6] THE EFFECT OF THE RANGE OF THE POTENTIAL ON THE STRUCTURES OF CLUSTERS
DOYE, JPK
WALES, DJ
BERRY, RS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1995, 103 (10) : 4234 - 4249
[7] Magic numbers and growth sequences of small face-centred-cubic and decahedral clusters
Doye, JPK
Wales, DJ
[J]. CHEMICAL PHYSICS LETTERS, 1995, 247 (4-6) : 339 - 347
[8] CLUSTER-MODELS MADE OF DOUBLE ICOSAHEDRON UNITS
FARGES, J
DEFERAUDY, MF
RAOULT, B
TORCHET, G
[J]. SURFACE SCIENCE, 1985, 156 (JUN) : 370 - 378
[9] Goldberg D., 1989, GENETIC ALGORITHMS S
[10] Gomez S., 1994, P 1 EUR C MATH PAR F, VIII, P503

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