Search results for " statistical"
showing 10 items of 1649 documents
Dynamical Heterogeneities Below the Glass Transition
2001
We present molecular dynamics simulations of a binary Lennard-Jones mixture at temperatures below the kinetic glass transition. The ``mobility'' of a particle is characterized by the amplitude of its fluctuation around its average position. The 5% particles with the largest/smallest mean amplitude are thus defined as the relatively most mobile/immobile particles. We investigate for these 5% particles their spatial distribution and find them to be distributed very heterogeneously in that mobile as well as immobile particles form clusters. The reason for this dynamic heterogeneity is traced back to the fact that mobile/immobile particles are surrounded by fewer/more neighbors which form an ef…
Fragmentation of fractal random structures.
2014
We analyze the fragmentation behavior of random clusters on the lattice under a process where bonds between neighboring sites are successively broken. Modeling such structures by configurations of a generalized Potts or random-cluster model allows us to discuss a wide range of systems with fractal properties including trees as well as dense clusters. We present exact results for the densities of fragmenting edges and the distribution of fragment sizes for critical clusters in two dimensions. Dynamical fragmentation with a size cutoff leads to broad distributions of fragment sizes. The resulting power laws are shown to encode characteristic fingerprints of the fragmented objects.
Structural quantities of quasi-two-dimensional fluids
2014
Quasi-two-dimensional fluids can be generated by confining a fluid between two parallel walls with narrow separation. Such fluids exhibit an inhomogeneous structure perpendicular to the walls due to the loss of translational symmetry. Taking the transversal degrees of freedom as a perturbation to an appropriate 2D reference fluid we provide a systematic expansion of the $m$-particle density for arbitrary $m$. To leading order in the slit width this density factorizes into the densities of the transversal and lateral degrees of freedom. Explicit expressions for the next-to-leading order terms are elaborated analytically quantifying the onset of inhomogeneity. The case $m=1$ yields the densit…
Multicanonical Simulations of the Tails of the Order-Parameter Distribution of the Two-Dimensional Ising Model
2005
We report multicanonical Monte Carlo simulations of the tails of the order-parameter distribution of the two-dimensional Ising model for fixed boundary conditions. Clear numerical evidence for "fat" stretched exponential tails is found below the critical temperature, indicating the possible presence of fat tails at the critical temperature.
Anisotropic pair correlations in binary and multicomponent hard-sphere mixtures in the vicinity of a hard wall: A combined density functional theory …
2015
The fundamental measure approach to classical density functional theory has been shown to be a powerful tool to predict various thermodynamic properties of hard-sphere systems. We employ this approach to determine not only one-particle densities but also two-particle correlations in binary and six-component mixtures of hard spheres in the vicinity of a hard wall. The broken isotropy enables us to carefully test a large variety of theoretically predicted two-particle features by quantitatively comparing them to the results of Brownian dynamics simulations. Specifically, we determine and compare the one-particle density, the total correlation functions, their contact values, and the force dis…
Logarithmic finite-size effects on interfacial free energies: Phenomenological theory and Monte Carlo studies
2014
The computation of interfacial free energies between coexisting phases (e.g.~saturated vapor and liquid) by computer simulation methods is still a challenging problem due to the difficulty of an atomistic identification of an interface, and due to interfacial fluctuations on all length scales. The approach to estimate the interfacial tension from the free energy excess of a system with interfaces relative to corresponding single-phase systems does not suffer from the first problem but still suffers from the latter. Considering $d$-dimensional systems with interfacial area $L^{d-1}$ and linear dimension $L_z$ in the direction perpendicular to the interface, it is argued that the interfacial …
Shape of crossover between mean-field and asymptotic critical behavior in a three-dimensional Ising lattice
1998
Recent numerical studies of the susceptibility of the three-dimensional Ising model with various interaction ranges have been analyzed with a crossover model based on renormalization-group matching theory. It is shown that the model yields an accurate description of the crossover function for the susceptibility.
Nonlinear response of superparamagnets with finite damping: an analytical approach
2004
The strongly damping-dependent nonlinear dynamical response of classical superparamagnets is investigated by means of an analytical approach. Using rigorous balance equations for the spin occupation numbers a simple approximate expression is derived for the nonlinear susceptibility. The results are in good agreement with those obtained from the exact (continued-fraction) solution of the Fokker-Planck equation. The formula obtained could be of assistance in the modelling of the experimental data and the determination of the damping coefficient in superparamagnets.
Computing absolute free energies of disordered structures by molecular simulation
2009
We present a Monte Carlo simulation technique by which the free energy of disordered systems can be computed directly. It is based on thermodynamic integration. The central idea is to construct an analytically solvable reference system from a configuration which is representative for the state of interest. The method can be applied to lattice models (e.g., the Ising model) as well as off-lattice molecular models. We focus mainly on the more challenging off-lattice case. We propose a Monte Carlo algorithm, by which the thermodynamic integration path can be sampled efficiently. At the examples of the hard sphere liquid and a hard disk solid with a defect, we discuss several properties of the …
Finite-size scaling above the upper critical dimension revisited: The case of the five-dimensional Ising model
1999
Monte Carlo results for the moments of the magnetization distribution of the nearest-neighbor Ising ferromagnet in a L^d geometry, where L (4 \leq L \leq 22) is the linear dimension of a hypercubic lattice with periodic boundary conditions in d=5 dimensions, are analyzed in the critical region and compared to a recent theory of Chen and Dohm (CD) [X.S. Chen and V. Dohm, Int. J. Mod. Phys. C (1998)]. We show that this finite-size scaling theory (formulated in terms of two scaling variables) can account for the longstanding discrepancies between Monte Carlo results and the so-called ``lowest-mode'' theory, which uses a single scaling variable tL^{d/2} where t=T/T_c-1 is the temperature distan…