Search results for "Statistical Mechanic"
showing 10 items of 707 documents
Static and dynamical properties of a supercooled liquid confined in a pore
2000
We present the results of a Molecular Dynamics computer simulation of a binary Lennard-Jones liquid confined in a narrow pore. The surface of the pore has an amorphous structure similar to that of the confined liquid. We find that the static properties of the liquid are not affected by the confinement, while the dynamics changes dramatically. By investigating the time and temperature dependence of the intermediate scattering function we show that the dynamics of the particles close to the center of the tube is similar to the one in the bulk, whereas the characteristic relaxation time tau_q(T,rho) of the intermediate scattering function at wavevector q and distance rho from the axis of the p…
Spherically averaged versus angle-dependent interactions in quadrupolar fluids
2008
Employing simplified models in computer simulation is on the one hand often enforced by computer time limitations but on the other hand it offers insights into the molecular properties determining a given physical phenomenon. We employ this strategy to the determination of the phase behaviour of quadrupolar fluids, where we study the influence of omitting angular degrees of freedom of molecules via an effective spherically symmetric potential obtained from a perturbative expansion. Comparing the liquid-vapor coexistence curve, vapor pressure at coexistence, interfacial tension between the coexisting phases, etc., as obtained from both the models with the full quadrupolar interactions and th…
Errors in Monte Carlo simulations using shift register random number generators
1996
We report large systematic errors in Monte Carlo simulations of the tricritical Blume-Capel model using single spin Metropolis updating. The error, manifest as a $20\%$ asymmetry in the magnetisation distribution, is traced to the interplay between strong triplet correlations in the shift register random number generator and the large tricritical clusters. The effect of these correlations is visible only when the system volume is a multiple of the random number generator lag parameter. No such effects are observed in related models.
Information dynamics: Temporal behavior of uncertainty measures
2008
We carry out a systematic study of uncertainty measures that are generic to dynamical processes of varied origins, provided they induce suitable continuous probability distributions. The major technical tool are the information theory methods and inequalities satisfied by Fisher and Shannon information measures. We focus on a compatibility of these inequalities with the prescribed (deterministic, random or quantum) temporal behavior of pertinent probability densities.
HOW SMART DOES AN AGENT NEED TO BE?
2005
The classic distributed computation is done by atoms, molecules or spins in vast numbers, each equipped with nothing more than the knowledge of their immediate neighborhood and the rules of statistical mechanics. These agents, 1023 or more, are able to form liquids and solids from gases, realize extremely complex ordered states, such as liquid crystals, and even decode encrypted messages. We will describe a study done for a sensor-array "challenge problem" in which we have based our approach on old-fashioned simulated annealing to accomplish target acquisition and tracking under the rules of statistical mechanics. We believe the many additional constraints that occur in the real problem ca…
Statistically validated networks in bipartite complex systems.
2011
Many complex systems present an intrinsic bipartite nature and are often described and modeled in terms of networks [1-5]. Examples include movies and actors [1, 2, 4], authors and scientific papers [6-9], email accounts and emails [10], plants and animals that pollinate them [11, 12]. Bipartite networks are often very heterogeneous in the number of relationships that the elements of one set establish with the elements of the other set. When one constructs a projected network with nodes from only one set, the system heterogeneity makes it very difficult to identify preferential links between the elements. Here we introduce an unsupervised method to statistically validate each link of the pr…
Aging effects in simple models for glassy relaxation
2006
Aging effects in the two-time correlation function and the response function after a quench from a high temperature to some low temperature are considered for a simple kinetic random energy model exhibiting stretched exponential relaxation. Because the system reaches thermal equilibrium for long times after the quench, all aging effect are of a transient nature. In particular, the violations of the fluctuation-dissipation theorem are considered and it is found that the relation between the response and the two-time correlation function depends on another function, the so-called asymmetry. This asymmetry vanishes in equilibrium but cannot be neglected in the aging regime. It is found that pl…
Thermodynamic formalism and linear response theory for non-equilibrium steady states
2016
We study the linear response in systems driven away from thermal equilibrium into a nonequilibrium steady state with nonvanishing entropy production rate. A simple derivation of a general response formula is presented under the condition that the generating function describes a transformation that (to lowest order) preserves normalization and thus describes a physical stochastic process. For Markov processes we explicitly construct the conjugate quantities and discuss their relation with known response formulas. Emphasis is put on the formal analogy with thermodynamic potentials and some consequences are discussed.
Coexistence of active Brownian disks: van der Waals theory and analytical results
2020
At thermal equilibrium, intensive quantities like temperature and pressure have to be uniform throughout the system, restricting inhomogeneous systems composed of different phases. The paradigmatic example is the coexistence of vapor and liquid, a state that can also be observed for active Brownian particles steadily driven away from equilibrium. Recently, a strategy has been proposed that allows to predict phase equilibria of active particles [Solon et al., Phys. Rev. E 97, 020602(R) (2018)2470-004510.1103/PhysRevE.97.020602]. Here we elaborate on this strategy and formulate it in the framework of a van der Waals theory for active disks. For a given equation of state, we derive the effecti…
Microcanonical Determination of the Interface Tension of Flat and Curved Interfaces from Monte Carlo Simulations
2012
The investigation of phase coexistence in systems with multi-component order parameters in finite systems is discussed, and as a generic example, Monte Carlo simulations of the two-dimensional q-state Potts model (q=30) on LxL square lattices (40<=L<=100) are presented. It is shown that the microcanonical ensemble is well-suited both to find the precise location of the first order phase transition and to obtain an accurate estimate for the interfacial free energy between coexisting ordered and disordered phases. For this purpose, a microcanonical version of the heatbath algorithm is implemented. The finite size behaviour of the loop in the curve describing the inverse temperature vers…