ﻻ يوجد ملخص باللغة العربية
In the original formulation of vibration-transit (V-T) theory for monatomic liquid dynamics, the transit contribution to entropy was taken to be a universal constant, calibrated to the constant-volume entropy of melting. This model suffers two deficiencies: (a) it does not account for experimental entropy differences of 2% among elemental liquids, and (b) it implies a value of zero for the transit contribution to internal energy. The purpose of this paper is to correct these deficiencies. To this end, the V-T equation for entropy is fitted to an overall accuracy of 0.1% to the available experimental high temperature entropy data for elemental liquids. The theory contains two nuclear motion contributions: (a) the dominant vibrational contribution S_{vib}(T/theta_0), where T is temperature and theta_0 is the vibrational characteristic temperature, and (b) the transit contribution S_{tr}(T/theta_{tr}), where theta_{tr} is a scaling temperature for each liquid. The appearance of a common functional form of S_{tr} for all the liquids studied is a property of the experimental data, when analyzed via the V-T formula. The resulting S_{tr} implies the correct transit contribution to internal energy. The theoretical entropy of melting is derived, in a single formula applying to normal and anomalous melting alike. An ab initio calculation of theta_0, based on density functional theory, is reported for liquid Na and Cu. Comparison of these calculations with the above analysis of experimental entropy data provides verification of V-T theory. In view of the present results, techniques currently being applied in ab initio simulations of liquid properties can be employed to advantage in the further testing and development of V-T theory.
In applying Vibration-Transit (V-T) theory of liquid dynamics to the thermodynamic properties of monatomic liquids, the point has been reached where an improved model is needed for the small (approx. 10%) transit contribution. Toward this goal, an an
We examine the distinct part of the density autocorrelation function Fd(q,t), also called the intermediate scattering function, from the point of view of the vibration-transit (V-T) theory of monatomic liquid dynamics. A similar study has been report
Two estimates for the inverse binary entropy function are derived using the property of information entropy to estimate combinatorics of sequences as well as related formulas from population genetics for the effective number of alleles. The second es
We present generalized methods for calculating lower bounds on the ground-state entropy per site, $S_0$, or equivalently, the ground-state degeneracy per site, $W=e^{S_0/k_B}$, of the antiferromagnetic Potts model. We use these methods to derive improved lower bounds on $W$ for several lattices.
In this paper, we present our image compression framework designed for CLIC 2020 competition. Our method is based on Variational AutoEncoder (VAE) architecture which is strengthened with residual structures. In short, we make three noteworthy improve