Energy Landscape of a Lennard-Jones Liquid: Statistics of Stationary Points
نویسندگان
چکیده
منابع مشابه
Energy landscape of a lennard-jones liquid: statistics of stationary points.
Molecular dynamics simulations are used to generate an ensemble of saddles of the potential energy of a Lennard-Jones liquid. Classifying all extrema by their potential energy u and number of unstable directions k, a well-defined relation k(u) is revealed. The degree of instability of typical stationary points vanishes at a threshold potential energy u(th), which lies above the energy of the lo...
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By means of molecular dynamics simulations, we study the stationary points of the potential energy in a Lennard-Jones liquid, giving a purely geometric characterization of the energy landscape of the system. We find a linear relation between the degree of instability of the stationary points and their potential energy, and we locate the energy where the instability vanishes. This threshold ener...
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ژورنال
عنوان ژورنال: Physical Review Letters
سال: 2000
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.85.5360