Influence of vacancies on the melting transition of hard disks in two dimensions

M A  Bates; D  Frenkel

Influence of vacancies on the melting transition of hard disks in two dimensions

Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

We present the results of molecular dynamics simulations of two-dimensional (2D) hard disk systems in the vicinity of melting. The simulations are used to calculate the elastic constants, which can be used to estimate the location of the Kosterlitz-Thouless dislocation unbinding transition. Simulations on defect-free lattices indicate that this transition is expected to occur at essentially the same density as a first-order solid-isotropic transition and so it is not possible to rule out either a one step weak first-order transition between the solid and the isotropic fluid or a two step transition via a hexatic phase. Simulations performed on systems with vacancies indicate that the elastic constants are essentially unchanged at constant density. This result implies that vacancies have little influence on the melting of 2D hard disk solids.

Original language	English
Pages (from-to)	5223-5227
Number of pages	5
Journal	Physical Review E
Volume	61
Issue number	5
Publication status	Published - May 2000

Keywords

2 DIMENSIONS
COMPUTER-SIMULATION
COLLOIDAL CRYSTALS
ELASTIC-CONSTANTS
PHASE-TRANSITIONS
ORDER
SYSTEMS

Cite this

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title = "Influence of vacancies on the melting transition of hard disks in two dimensions",

abstract = "We present the results of molecular dynamics simulations of two-dimensional (2D) hard disk systems in the vicinity of melting. The simulations are used to calculate the elastic constants, which can be used to estimate the location of the Kosterlitz-Thouless dislocation unbinding transition. Simulations on defect-free lattices indicate that this transition is expected to occur at essentially the same density as a first-order solid-isotropic transition and so it is not possible to rule out either a one step weak first-order transition between the solid and the isotropic fluid or a two step transition via a hexatic phase. Simulations performed on systems with vacancies indicate that the elastic constants are essentially unchanged at constant density. This result implies that vacancies have little influence on the melting of 2D hard disk solids.",

keywords = "2 DIMENSIONS, COMPUTER-SIMULATION, COLLOIDAL CRYSTALS, ELASTIC-CONSTANTS, PHASE-TRANSITIONS, ORDER, SYSTEMS",

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T1 - Influence of vacancies on the melting transition of hard disks in two dimensions

AU - Bates, M A

AU - Frenkel, D

PY - 2000/5

Y1 - 2000/5

N2 - We present the results of molecular dynamics simulations of two-dimensional (2D) hard disk systems in the vicinity of melting. The simulations are used to calculate the elastic constants, which can be used to estimate the location of the Kosterlitz-Thouless dislocation unbinding transition. Simulations on defect-free lattices indicate that this transition is expected to occur at essentially the same density as a first-order solid-isotropic transition and so it is not possible to rule out either a one step weak first-order transition between the solid and the isotropic fluid or a two step transition via a hexatic phase. Simulations performed on systems with vacancies indicate that the elastic constants are essentially unchanged at constant density. This result implies that vacancies have little influence on the melting of 2D hard disk solids.

AB - We present the results of molecular dynamics simulations of two-dimensional (2D) hard disk systems in the vicinity of melting. The simulations are used to calculate the elastic constants, which can be used to estimate the location of the Kosterlitz-Thouless dislocation unbinding transition. Simulations on defect-free lattices indicate that this transition is expected to occur at essentially the same density as a first-order solid-isotropic transition and so it is not possible to rule out either a one step weak first-order transition between the solid and the isotropic fluid or a two step transition via a hexatic phase. Simulations performed on systems with vacancies indicate that the elastic constants are essentially unchanged at constant density. This result implies that vacancies have little influence on the melting of 2D hard disk solids.

KW - 2 DIMENSIONS

KW - COMPUTER-SIMULATION

KW - COLLOIDAL CRYSTALS

KW - ELASTIC-CONSTANTS

KW - PHASE-TRANSITIONS

KW - ORDER

KW - SYSTEMS

M3 - Article

SN - 1539-3755

VL - 61

SP - 5223

EP - 5227

JO - Physical Review E

JF - Physical Review E

IS - 5

ER -