相关论文: Estimating Gibbs free energies via isobaric-isothe…
We study transport properties of isotropic Brownian flows. Under a transience condition for the two-point motion, we show asymptotic normality of the image of a finite measure under the flow and -- under slightly stronger assumptions --…
In this paper, we consider the Ising-Vannimenus model on a Cayley tree for order two with competing nearest-neighbor and prolonged next-nearest neighbor interactions. We stress that the mentioned model was investigated only numerically,…
Existing work on population dynamics inference often focuses on flows arising from vector fields that are the gradients of scalar potentials. Among all admissible flows that are compatible with the population dynamics, gradient flows are…
The excitation of internal gravity waves by an entropy bubble oscillating in an isothermal atmosphere is investigated using direct two-dimensional numerical simulations. The oscillation field is measured by a projection of the simulated…
It has been suggested recently that `$q$-exponential' distributions which form the basis of Tsallis' non-extensive thermostatistical formalism may be viewed as mixtures of exponential (Gibbs) distributions characterized by a fluctuating…
The phase transition of a random mixed-bond Ising ferromagnet on a cubic lattice model is studied both numerically and analytically. In this work, we use the Cluster algorithms of Wolff and Glauber to simulate the dynamics of the system. We…
Excess contributions to the free energy due to interfaces occur for many problems encountered in the statistical physics of condensed matter when coexistence between different phases is possible (e.g. wetting phenomena, nucleation, crystal…
We describe compressible two-phase flows by a single-velocity six-equation flow model, which is composed of the phasic mass and total energy equations, one volume fraction equation, and the mixture momentum equation. The model contains…
Accurate identification of parameters of load models is essential in power system computations, including simulation, prediction, and stability and reliability analysis. Conventional point estimation based composite load modeling approaches…
We propose a methodology to generate hybrid machine learning models for the potential energy surface trained simultaneously on data from ab initio electronic structure calculations and on thermodynamic and/or structural observables from…
We propose a sampling algorithm relying on a collective variable (CV) of mid-size dimension modelled by a normalizing flow and using non-equilibrium dynamics to propose full configurational moves from the proposition of a refreshed value of…
Sampling equilibrium distributions is fundamental to statistical mechanics. While flow matching has emerged as scalable state-of-the-art paradigm for generative modeling, its potential for equilibrium sampling in condensed-phase systems…
We present a new family of fast and robust methods for the calculation of the vapor-liquid equilibrium at isobaric-isothermal (PT-flash), isochoric-isothermal (VT-flash), isenthalpic-isobaric (HP-flash), and isoenergetic-isochoric…
In this paper, a statistical physical derivation of thermodynamically consistent fluid mechanical equations is presented for non-isothermal viscous molecular fluids. The coarse-graining process is based on (i) the adiabatic expansion of the…
We consider two related tasks: (a) estimating a parameterisation of a given Gibbs state and expectation values of Lipschitz observables on this state; and (b) learning the expectation values of local observables within a thermal or quantum…
We introduce a variational algorithm based on Matrix Product States that is trained by minimizing a generalized free energy defined using Tsallis entropy instead of the standard Gibbs entropy. As a result, our model can generate the…
In Physica A vol 387(24) (2008) pp6079-6094 [1], a kinetic equation for gas flows was proposed that leads to a set of four macroscopic conservation equations, rather than the traditional set of three equations. The additional equation…
We calculate and verify with simulations the ratio between the average translational and rotational energies of systems with rough, inelastic particles, either forced or freely cooling. The ratio shows non-equipartition of energy. In…
By using a formulation of a class of compressible viscous flows with a heat source via vorticity and expansion-rate, we study the Oberbeck-Boussinesq flows. To this end we establish a new integral representation for solutions of parabolic…
The recently proposed Einstein molecule approach is extended to compute the free energy of molecular solids. This method is a variant of the Einstein crystal method of Frenkel and Ladd[J. Chem. Phys. 81,3188 (1984)]. In order to show its…