Related papers: Structural relaxation in Morse clusters: Energy la…
We analyze the properties of a Lennard-Jones system at the level of the potential energy landscape. After an exhaustive investigation of the topological features of the landscape of the systems, obtained studying small size sample, we…
We investigate the structure of 13-particle clusters in binary alloys for various size ratios and different concentrations via MD simulation. Our goal is to predict which systems are likely to form local icosahedral structures when rapidly…
The topography of the free energy landscape in phase space of a dense hard sphere system characterized by a discretized free energy functional of the Ramakrishnan-Yussouff form is investigated numerically using a ``microcanonical'' Monte…
The cluster decays $^{228}$Th $\rightarrow \, ^{208}$Pb + $^{20}$O, $^{232}$U $\rightarrow \, ^{208}$Pb + $^{24}$Ne, $^{236}$Pu $\rightarrow \, ^{208}$Pb + $^{28}$Mg, $^{242}$Cm $\rightarrow \, ^{208}$Pb + $^{34}$Si are considered in the…
Many soft and biological materials display so-called 'soft glassy' dynamics; their constituents undergo anomalous random motions and complex cooperative rearrangements. A recent simulation model of one soft glassy material, a coarsening…
A general method to obtain a representation of the structural landscape of nanoparticles in terms of a limited number of variables is proposed. The method is applied to a large dataset of parallel tempering molecular dynamics simulations of…
In recent experiments on sodium chloride clusters structural transitions between nanocrystals with different cuboidal shapes were detected. Here we determine reaction pathways between the low energy isomers of one of these clusters,…
Several commonly observed physical and biological systems are arranged in shapes that closely resemble an honeycomb cluster, that is, a tessellation of the plane by regular hexagons. Although these shapes are not always the direct product…
A detailed description of the activation-relaxation technique (ART) is presented. This method defines events in the configurational energy landscape of disordered materials, such as a-Si, glasses and polymers, in a two-step process: first,…
We investigate the formation of cluster crystals with multiply occupied lattice sites on a spherical surface in systems of ultra-soft particles interacting via repulsive, bounded pair potentials. Not all interactions of this kind lead to…
By dividing potential energy landscapes into basins of attractions surrounding minima and linking those basins that are connected by transition state valleys, a network description of energy landscapes naturally arises. These networks are…
With the help of a simple 20 letters, lattice model of heteropolymers, we investigate the energy landscape in the space of designed good-folder sequences. Low-energy sequences form clusters, interconnected via neutral networks, in the space…
We have performed a detailed exploration of the energy landscape for configurations of points on the sphere, interacting via the logarithmic potential, and corresponding to local minima of the total energy, up to $N = 160$. The growth of…
We report calculations of the ground state energies and geometries for clusters of different sizes (up to 80 particles), where individual particles interact simultaneously via a short-ranged attractive -modeled with a generalization of the…
A simple modification of the Monte-Carlo algortihm is proposed to explore the topography and the scaling of the energy landscape. We apply this idea to a simple hard-core fluid. The results for different packing fractions show a power law…
We consider the dynamical evolution of small-scale substructure in clusters within two extreme alternate scenarios for their possible origin: 1) the accretion of groups (or small clusters) on quasi-radial orbits, and 2) the merger of…
Using molecular dynamics computer simulations we investigate the structural and dynamical properties of a simple model for a colloidal gel at low volume fraction. We find that at low T the system is forming an open percolating cluster,…
Dynamical connectivity graphs, which describe dynamical transition rates between local energy minima of a system, can be displayed against the background of a disconnectivity graph which represents the energy landscape of the system. The…
The recent experimental fabrication of monolayer and few-layer C60 polymers paves the way for synthesizing two-dimensional cluster-assembled materials. Compared to atoms with the SO(3) symmetry, clusters as superatoms (e.g., C60) have an…
In turbulence, nonlinear terms drive energy transfer from large-scale eddies into small scales through the so-called energy cascade. Turbulence often relaxes toward states that minimize energy; typically these states are considered…