Localized fluidity modes and the topology of the constant-potential-energy hypersurfaces of Lennard-Jones matter

Rodney M J Cotterill, J. Madsen

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Abstract

Sections of configuration space for Lennard-Jones matter were obtained by probing all the normal-mode energy profiles, following diagonalization of the dynamical matrix for a 240-particle system. For the crystal and sufficiently cold glass, these are single welled, whereas increasing numbers of double wells occur as the glass is warmed toward the fluid. This indicates that there might be a fundamental difference between the topologies of the constant-potential-energy hypersurfaces of crystalline and noncrystalline Lennard-Jones matter.
Original languageEnglish
JournalPhysical Review B
Volume33
Issue number1
Pages (from-to)262-268
ISSN2469-9950
DOIs
Publication statusPublished - 1986

Bibliographical note

Copyright (1986) by the American Physical Society.

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