Search results for "statistical [methods]"
showing 10 items of 1664 documents
The dynamics of sodium in sodium disilicate: Channel relaxation and sodium diffusion
2001
We use molecular dynamics computer simulations to study the dynamics of amorphous (Na_2O)2(SiO_2). We find that the Na ions move in channels embedded in a SiO_2 matrix. The characteristic distance between these channels gives rise to a prepeak in the structure factor at around q=0.95 A^-1. The dynamics of sodium is given by a fast process which can be seen in the incoherent scattering function and a slow process which is seen in the coherent function. The relaxation time of the latter coincides with the alpha-relaxation time of the matrix. The Kohlrausch exponent of the fast process for q>1.6 A^1 is the same as the von Schweidler exponent for the slow one, demonstrating that the two proc…
Vorticity Determines the Force on Bodies Immersed in Active Fluids
2021
When immersed into a fluid of active Brownian particles, passive bodies might start to undergo linear or angular directed motion depending on their shape. Here we exploit the divergence theorem to relate the forces responsible for this motion to the density and current induced by--but far away from--the body. In general, the force is composed of two contributions: due to the strength of the dipolar field component and due to particles leaving the boundary, generating a non-vanishing vorticity of the polarization. We derive and numerically corroborate results for periodic systems, which are fundamentally different from unbounded systems with forces that scale with the area of the system. We …
Thermodynamics based on the principle of least abbreviated action: Entropy production in a network of coupled oscillators
2006
We present some novel thermodynamic ideas based on the Maupertuis principle. By considering Hamiltonians written in terms of appropriate action-angle variables we show that thermal states can be characterized by the action variables and by their evolution in time when the system is nonintegrable. We propose dynamical definitions for the equilibrium temperature and entropy as well as an expression for the nonequilibrium entropy valid for isolated systems with many degrees of freedom. This entropy is shown to increase in the relaxation to equilibrium of macroscopic systems with short-range interactions, which constitutes a dynamical justification of the Second Law of Thermodynamics. Several e…
The McCoy-Wu model in the mean-field approximation
1998
We consider a system with randomly layered ferromagnetic bonds (McCoy-Wu model) and study its critical properties in the frame of mean-field theory. In the low-temperature phase there is an average spontaneous magnetization in the system, which vanishes as a power law at the critical point with the critical exponents $\beta \approx 3.6$ and $\beta_1 \approx 4.1$ in the bulk and at the surface of the system, respectively. The singularity of the specific heat is characterized by an exponent $\alpha \approx -3.1$. The samples reduced critical temperature $t_c=T_c^{av}-T_c$ has a power law distribution $P(t_c) \sim t_c^{\omega}$ and we show that the difference between the values of the critical…
Inherent structure entropy of supercooled liquids
1999
We present a quantitative description of the thermodynamics in a supercooled binary Lennard Jones liquid via the evaluation of the degeneracy of the inherent structures, i.e. of the number of potential energy basins in configuration space. We find that for supercooled states, the contribution of the inherent structures to the free energy of the liquid almost completely decouples from the vibrational contribution. An important byproduct of the presented analysis is the determination of the Kauzmann temperature for the studied system. The resulting quantitative picture of the thermodynamics of the inherent structures offers new suggestions for the description of equilibrium and out-of-equilib…
Enhancement of stability in randomly switching potential with metastable state
2004
The overdamped motion of a Brownian particle in randomly switching piece-wise metastable linear potential shows noise enhanced stability (NES): the noise stabilizes the metastable system and the system remains in this state for a longer time than in the absence of white noise. The mean first passage time (MFPT) has a maximum at a finite value of white noise intensity. The analytical expression of MFPT in terms of the white noise intensity, the parameters of the potential barrier, and of the dichotomous noise is derived. The conditions for the NES phenomenon and the parameter region where the effect can be observed are obtained. The mean first passage time behaviours as a function of the mea…
Thermodynamics of supercooled liquids in the inherent structure formalism: a case study
2000
In this article we review the thermodynamics of liquids in the framework of the inherent structure formalism. We then present calculations of the distribution of the basins in the potential energy of a binary Lennard-Jones mixture as a function of temperature. The comparison between the numerical data and the theoretical formalism allows us to evaluate the degeneracy of the inherent structures in a bulk system and to estimate the energy of the lowest energy disordered state (the Kauzmann energy). We find that, around the mode-coupling temperature, the partition function of the liquid is approximated well by the product of two loosely coupled partition functions, one depending on the inheren…
Higher-order correlation functions and nonlinear response functions in a gaussian trap model.
2012
The four-time correlation function of a general dynamical variable obeying Gaussian statistics is calculated for the trap model with a Gaussian density of states. It is argued that for energy-independent variables this function is reminiscent of the four-time functions that have been discussed earlier in the interpretation of the results of four-dimensional NMR experiments on supercooled liquids. Using an approximative relation between the four-time correlation function and the cubic response function the nonlinear susceptibility is calculated and the results are compared with the corresponding ones resulting from an exact calculation. It is found that the results of the approximation chang…
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.