Search results for "Statistical physic"
showing 10 items of 1403 documents
Thermodynamic approach of statistical nonlinear optics
2009
The coherence properties of random nonlinear optical fields can be described in detail by thermodynamic arguments based on the wave turbulence theory. We shall review recent progress on this kinetic approach of statistical nonlinear optics.
Collective Effects in Random Sequential Adsorption of Diffusing Hard Squares
1992
We study by Monte Carlo computer simulations random sequential adsorption (RSA) with diffusional relaxation, of lattice hard squares in two dimensions. While for RSA without diffusion the coverage approaches its maximum jamming value (large-time fractional coverage) exponentially, added diffusion allows the deposition process to proceed to the full coverage. The approach to the full coverage is consistent with the t**(-1/2) power law reminiscent of the equilibrium cluster coarsening in models with nonconserved order-parameter dynamics.
Gaussian approximations for the exchange-energy functional of current-carrying states: Applications to two-dimensional systems
2009
Electronic structure calculations are routinely carried out within the framework of density-functional theory, often with great success. For electrons in reduced dimensions, however, there is still a need for better approximations to the exchange-correlation energy functional. Furthermore, the need for properly describing current-carrying states represents an additional challenge for the development of approximate functionals. In order to make progress along these directions, we show that simple and efficient expressions for the exchange energy can be obtained by considering the short-range behavior of the one-body spin-density matrix. Applications to several two-dimensional systems confirm…
Analytical representations for relaxation functions of glasses
2002
Analytical representations in the time and frequency domains are derived for the most frequently used phenomenological fit functions for non-Debye relaxation processes. In the time domain the relaxation functions corresponding to the complex frequency dependent Cole-Cole, Cole-Davidson and Havriliak-Negami susceptibilities are also represented in terms of $H$-functions. In the frequency domain the complex frequency dependent susceptibility function corresponding to the time dependent stretched exponential relaxation function is given in terms of $H$-functions. The new representations are useful for fitting to experiment.
Lattice Boltzmann versus Molecular Dynamics simulations of nanoscale hydrodynamic flows
2006
A fluid flow in a simple dense liquid, passing an obstacle in a two-dimensional thin film geometry, is simulated by Molecular Dynamics (MD) computer simulation and compared to results of Lattice Boltzmann (LB) simulations. By the appropriate mapping of length and time units from LB to MD, the velocity field as obtained from MD is quantitatively reproduced by LB. The implications of this finding for prospective LB-MD multiscale applications are discussed.
Controlling spatial inhomogeneity in prototypical multiphase microstructures
2017
A wide variety of real random composites can be studied by means of prototypes of multiphase microstructures with a controllable spatial inhomogeneity. To create them, we propose a versatile model of randomly overlapping super-spheres of a given radius and deformed in their shape by the parameter p. With the help of the so-called decomposable entropic measure, a clear dependence of the phase inhomogeneity degree on the values of the parameter p is found. Thus, a leading trend in changes of the phase inhomogeneity can be forecast. It makes searching for possible structure/property relations easier. For the chosen values of p, examples of two and three-phase prototypical microstructures show …
Elastic Constants of Quantum Solids by Path Integral Simulations
2000
Two methods are proposed to evaluate the second-order elastic constants of quantum mechanically treated solids. One method is based on path-integral simulations in the (NVT) ensemble using an estimator for elastic constants. The other method is based on simulations in the (NpT) ensemble exploiting the relationship between strain fluctuations and elastic constants. The strengths and weaknesses of the methods are discussed thoroughly. We show how one can reduce statistical and systematic errors associated with so-called primitive estimators. The methods are then applied to solid argon at atmospheric pressures and solid helium 3 (hcp, fcc, and bcc) under varying pressures. Good agreement with …
Diffusive thermal dynamics for the spin-S Ising ferromagnet
2008
We introduce an alternative thermal diffusive dynamics for the spin-S Ising ferromagnet realized by means of a random walker. The latter hops across the sites of the lattice and flips the relevant spins according to a probability depending on both the local magnetic arrangement and the temperature. The random walker, intended to model a diffusing excitation, interacts with the lattice so that it is biased towards those sites where it can achieve an energy gain. In order to adapt our algorithm to systems made up of arbitrary spins, some non trivial generalizations are implied. In particular, we will apply the new dynamics to two-dimensional spin-1/2 and spin-1 systems analyzing their relaxat…
Becke-Johnson-type exchange potential for two-dimensional systems
2009
We extend the Becke-Johnson approximation [J. Chem. Phys. 124, 221101 (2006)] of the exchange potential to two dimensions. We prove and demonstrate that a direct extension of the underlying formalism may lead to divergent behavior of the potential. We derive a cure to the approach by enforcing the gauge invariance and correct asymptotic behavior of the exchange potential. The procedure leads to an approximation which is shown, in various quasi-two-dimensional test systems, to be very accurate in comparison with the exact exchange potential, and thus a considerable improvement over the commonly applied local-density approximation.
Parameter-free density functional for the correlation energy in two dimensions
2010
Accurate treatment of the electronic correlation in inhomogeneous electronic systems, combined with the ability to capture the correlation energy of the homogeneous electron gas, allows to reach high predictive power in the application of density-functional theory. For two-dimensional systems we can achieve this goal by generalizing our previous approximation [Phys. Rev. B 79, 085316 (2009)] to a parameter-free form, which reproduces the correlation energy of the homogeneous gas while preserving the ability to deal with inhomogeneous systems. The resulting functional is shown to be very accurate for finite systems with an arbitrary number of electrons with respect to numerically exact refer…