相关论文: A Solution to the Temperature Evolution of Multi-w…

It has been a long challenge to analytically construct the quantitative temperature-dependent multi-well free-energy landscape over the space of order parameters describing phase transitions and associated critical phenomena. Here we…

This study presents a computational framework to investigate and predict the complicated multiphase properties of eco-friendly lead-free piezoelectric materials, which are crucial for sustainable technological progress. Although their…

The system of our interest is a dilute binary mixture, in which we consider that the species have different temperatures as an initial condition. To study their time evolution, we use the full version of the Boltzmann equation, under the…

There are not many kinetic models where it is possible to prove bifurcation phenomena for any value of the Knudsen number. Here we consider a binary mixture over a line with collisions and long range repulsive interaction between different…

A key challenge for the practical application of metal halide perovskites (MHPs) is the instability of the desired perovskite phase relative to the optically non-active $\delta$ phase. To determine the phase stability, we previously…

The notion of negative absolute temperature emerges naturally from Boltzmann's definition of "surface" microcanonical entropy in isolated systems with a bounded energy density. Recently, the well-posedness of such construct has been…

The free energy model can extend the Lattice Boltzmann method to multiphase systems. However, there is a lack of models capable of simulating multicomponent multiphase fluids with partial miscibility. In addition, existing models cannot be…

We propose a method, Temperature Integration, which allows an efficient calculation of free energy differences between two systems of interest, with the same degrees of freedom, which may have rough energy landscapes. The method is based on…

Modeling liquid-vapor phase change using the lattice Boltzmann (LB) method has attracted significant attention in recent years. In this paper, we propose an improved three-dimensional (3D) thermal multiphase LB model for simulating…

In this paper we develop a generalized formalism for equilibrium thermodynamic systems when an information is shared between the system and the reservoir. The information results in a correction to the entropy of the system. This extension…

We extend the chemical-potential-based free-energy lattice Boltzmann (LB) model of Li et al. [Phys. Rev. E 103, 013304 (2021)] by integrating generalized equilibria, originally formulated for the color-gradient LB model using sixth-order…

In this work, we study the co-dimensional one interface limit and geometric motions of parabolic Ginzburg--Landau systems with potentials of high-dimensional wells. The main result generalizes the one by Lin et al. (Comm. Pure Appl. Math.,…

Ultrafast thermal transport in low-dimensional materials challenges traditional diffusive models due to reduced scattering, strong electron-phonon coupling, and pronounced non-equilibrium effects. To address these complexities, we extend…

Simulating electron-nucleus coupled dynamics poses a non-trivial challenge and an important problem in the investigation of ultrafast processes involving coupled electronic and vibrational dynamics. Because irreversibility of the system…

A non-isothermal phase field model that captures both displacive and diffusive phase transformations in a unified framework is presented. The model is developed in a formal thermodynamic setting, which provides guidance on admissible…

Consider the steady Boltzmann equation with slab symmetry for a monatomic, hard sphere gas in a half space. At the boundary of the half space, it is assumed that the gas is in contact with its condensed phase. The present paper discusses…

In this paper, a multiple-relaxation-time lattice Boltzmann (LB) approach is developed for the simulation of three-dimensional (3D) liquid-vapor phase change based on the pseudopotential model. In contrast to some existing 3D thermal LB…

In this paper, the energy non-conservation problem of the hybrid thermal LB phase change model is emphasized. To solve this problem, an infinite volume discrete scheme is introduced to deal with the diffusion term in the energy equation.…

We present high resolution numerical simulations of convection in multiphase flows (boiling) using a novel algorithm based on a Lattice Boltzmann method. We first validate the thermodynamical and kinematical properties of the algorithm.…

Efficient thermoelectric materials are highly desirable, and the quest for finding them has intensified as they could be promising alternatives to fossil energy sources. Here we present a general first-principles approach to predict, in…