Search results for "NEURAL NETWORK"
showing 10 items of 1385 documents
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…
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…
Test of mode coupling theory for a supercooled liquid of diatomic molecules.I. Translational degrees of freedom
1997
A molecular dynamics simulation is performed for a supercooled liquid of rigid diatomic molecules. The time-dependent self and collective density correlators of the molecular centers of mass are determined and compared with the predictions of the ideal mode coupling theory (MCT) for simple liquids. This is done in real as well as in momentum space. One of the main results is the existence of a unique transition temperature T_c, where the dynamics crosses over from an ergodic to a quasi-nonergodic behavior. The value for T_c agrees with that found earlier for the orientational dynamics within the error bars. In the beta- regime of MCT the factorization of space- and time dependence is satisf…
Kinetic Roughening in Slow Combustion of Paper
2001
Results of experiments on the dynamics and kinetic roughening of one-dimensional slow-combustion fronts in three grades of paper are reported. Extensive averaging of the data allows a detailed analysis of the spatial and temporal development of the interface fluctuations. The asymptotic scaling properties, on long length and time scales, are well described by the Kardar-Parisi-Zhang (KPZ) equation with short-range, uncorrelated noise. To obtain a more detailed picture of the strong-coupling fixed point, characteristic of the KPZ universality class, universal amplitude ratios, and the universal coupling constant are computed from the data and found to be in good agreement with theory. Below …
Quantitative tests of mode-coupling theory for fragile and strong glass-formers
2001
We calculate for a binary mixture of Lennard-Jones particles the time dependence of the solution of the mode-coupling equations in which the full wave vector dependence is taken into account. In addition we also take into account the short time dynamics, which we model with a simple memory kernel. We find that the so obtained solution agrees very well with the time and wave vector dependence of the coherent and incoherent intermediate scattering functions as determined from molecular dynamics computer simulations. Furthermore we calculate the wave vector dependence of the Debye-Waller factor for a realistic model of silica and compare these results with the ones obtained from a simulation o…
Finite-size scaling at the dynamical transition of the mean-field 10-state Potts glass
2001
We use Monte Carlo simulations to study the static and dynamical properties of a Potts glass with infinite range Gaussian distributed exchange interactions for a broad range of temperature and system size up to N=2560 spins. The results are compatible with a critical divergence of the relaxation time tau at the theoretically predicted dynamical transition temperature T_D, tau \propto (T-T_D)^{-\Delta} with Delta \approx 2. For finite N a further power law at T=T_D is found, tau(T=T_D) \propto N^{z^\star} with z^\star \approx 1.5 and for T>T_D dynamical finite-size scaling seems to hold. The order parameter distribution P(q) is qualitatively compatible with the scenario of a first order glas…
Molecular mode-coupling theory for supercooled liquids: application to water.
1999
We present mode-coupling equations for the description of the slow dynamics observed in supercooled molecular liquids close to the glass transition. The mode-coupling theory (MCT) originally formulated to study the slow relaxation in simple atomic liquids, and then extended to the analysis of liquids composed by linear molecules, is here generalized to systems of arbitrarily shaped, rigid molecules. We compare the predictions of the theory for the $q$-vector dependence of the molecular nonergodicity parameters, calculated by solving numerically the molecular MCT equations in two different approximation schemes, with ``exact'' results calculated from a molecular dynamics simulation of superc…
MULTIFRACTAL ELECTRONIC WAVE FUNCTIONS IN THE ANDERSON MODEL OF LOCALIZATION
1992
Investigations of the multifractal properties of electronic wave functions in disordered samples are reviewed. The characteristic mass exponents of the multifractal measure, the generalized dimensions and the singularity spectra are discussed for typical cases. New results for large 3D systems are reported, suggesting that the multifractal properties at the mobility edge which separates localized and extended states are independent of the microscopic details of the model.
Slowing down in the three-dimensional three-state Potts glass with nearest neighbor exchange : A Monte Carlo study
1998
,Static and dynamic properties of the Potts model on the simple cubic lattice with nearest neighbor ±Ĵ-interaction are obtained from Monte Carlo simulations in a temperature range where full thermal equilibrium still can be achieved (T/Ĵ ≥ 0.6). For a lattice size L = 16, in this range finite size effects are still negligible, but the data for the spin glass susceptibility agree with previous extrapolations based on finite size scaling of very small lattices. While the static properties are compatible with a zero temperature transition, they certainly do not prove it. Unlike the Ising spin glass, the decay of the time-dependent order parameter is compatible with a simple Kohlrausch function…