Energy landscape, two-level systems, and entropy barriers in Lennard-Jones clusters
نویسندگان
چکیده
منابع مشابه
Energy Landscape and Overlap Distribution of Binary Lennard-Jones Glasses
– We study the distribution of overlaps of glassy minima, taking proper care of residual symmetries of the system. Ensembles of locally stable, low lying glassy states are efficiently generated by rapid cooling from the liquid phase which has been equilibrated at a temperature Trun. Varying Trun, we observe a transition from a regime where a broad range of states are sampled to a regime where t...
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We have designed a simple method to place particles on lattices, concentric shells and icosahedral concentric layers for minimizing the total energy of Lennard-Jones clusters, approximately, by analytical means. The most signiicant diierence of our schemes from others is the dramatic reduction of parameters, which allows the study of large clusters, not possible otherwise. We present the deriva...
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The ground states of Lennard-Jones (LJ) clusters are estimated by finding the Gaussian wave packets that minimize the energy functional. A "phase diagram" for LJ_{n} as a function of size (n=31,...,45) and de Boer quantum delocalization length (Lambdain[0;0.3]) is constructed, showing the stability ranges for the two competing structural motifs, the Mackay and anti-Mackay icosahedra. An increas...
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Connectivity in the potential energy landscape of a binary Lennard-Jones system can be characterized at the level of cage-breaking. We calculate the number of cage-breaking routes from a given local minimum and determine the branching probabilities at different temperatures, along with correlation factors that represent the repeated reversals of cage-breaking events. The number of reversals inc...
متن کاملContinuous extremal optimization for Lennard-Jones clusters.
We explore a general-purpose heuristic algorithm for finding high-quality solutions to continuous optimization problems. The method, called continuous extremal optimization (CEO), can be considered as an extension of extremal optimization and consists of two components, one which is responsible for global searching and the other which is responsible for local searching. The CEO's performance pr...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 1999
ISSN: 0163-1829,1095-3795
DOI: 10.1103/physrevb.60.3200