Related papers: Structural relaxation in Morse clusters: Energy la…
We study the 3-spin spherical model with mean-field interactions and Gaussian random couplings. For moderate system sizes of up to 20 spins, we obtain all stationary points of the energy landscape by means of the numerical polynomial…
This chapter will provide an overview of how characterizing free-energy landscapes can provide insights into the biophysical properties of DNA, as well as into the behaviour of the DNA assemblies used in the field of DNA nanotechnology. The…
Using density functional theory with the generalized gradient approximation and ultra-soft pseudo-potentials, we have calculated structural relaxations of the Cu(532) surface which contains steps and kinks. We find the relaxation pattern to…
All ground states and low-lying excitations of a +/- I Ising spin glass model on a cubic 4 x 4 x 4 lattice with periodical boundary conditions were calculated using a method of combinatorical optimization. The structure of states in the…
We apply a recently proposed criterion for the existence of phase transitions, which is based on the properties of the saddles of the energy landscape, to a simplified model of a system with gravitational interactions, referred to as the…
We locate putative global minima for (C_60)_N clusters modelled by the potential of Pacheco and Prates-Ramalho up to N=105. These minima are based on icosahedral packing up to N=15, but above this size the lowest-energy structures are…
Recent studies of concentrated solid solutions have highlighted the role of varied solute interactions in the determination of a wide variety of mesoscale properties. These solute interactions emerge as spatial fluctuations in potential…
A methodology is developed to identify clusters in a bulk phase which are topologically equivalent to certain reference clusters. The selected reference clusters are the Morse clusters with 13 or less atoms and the 13 atom clusters found in…
Soft-granular media, such as dense emulsions, foams or tissues, exhibit either fluid- or solid-like properties depending on the applied external stresses. Whereas bulk rheology of such materials has been thoroughly investigated, the…
We examine how well the physical properties of clumps in turbulent molecular clouds can be determined by measurements of observed clump structures. We compare simulated observations of three-dimensional numerical models of isothermal,…
With respect to the question of supersymmetry breaking, there are three branches of the flux landscape. On one of these, if one requires small cosmological constant, supersymmetry breaking is predominantly at the fundamental scale; on…
The process of structural relaxation in disordered solids subjected to repeated tension-compression loading is studied using molecular dynamics simulations. The binary glass is prepared by rapid cooling well below the glass transition…
Hard-sphere models exhibit many of the same kinds of supercooled-liquid behavior as more realistic models of liquids, but the highly non-analytic character of their potentials makes it a challenge to think of that behavior in…
In solar atmosphere, magnetic reconnection alters the topological connectivity, and magnetic energy is released. However, the length change of the reconnecting structures has rarely been reported. To identify the evolution of the…
Turbulent boundary layers exhibit a universal structure which nevertheless is rather complex, being composed of a viscous sub-layer, a buffer zone, and a turbulent log-law region. In this letter we present a simple analytic model of…
We obtain a series of results in the global theory of free boundary minimal surfaces, which in particular provide a rather complete picture for the way different complexity criteria, such as area, topology and Morse index compare, beyond…
The potential energy surface (PES) of Lennard-Jones clusters is investigated using the activation-relaxation technique (ART). This method defines events in the configurational energy landscape as a two-step process: (a) a configuration is…
We compute for an archetypical glass-forming system the excess of particle mobility distributions over the corresponding distribution of dynamic propensity, a quantity that measures the tendency of the particles to be mobile and reflects…
The effect of structure relaxation on the potential energy surface (PES) of interlayer interaction of twisted graphene bilayer is studied for a set of commensurate moir\'e systems using the registry-dependent empirical potential of…
We present a computational study of sliding between gold clusters and a highly oriented pyrolytic graphite substrate, a material system that exhibits ultra-low friction due to structural lubricity. By means of molecular dynamics, it is…