相关论文: On the miscibility gap in tungsten-based alloys

Tailoring the performance of next-generation high entropy materials requires a deep understanding of the competition between entropy-driven random solid solution and enthalpy-driven chemical ordering. Investigating such order and disorder…

A lattice model of a hetero-polymer with random hydrophilic-hydrophobic charges interacting with the solvent is introduced, whose continnuum counterpart has been proposed by T. Garel, L. Leibler and H. Orland {J. Phys. II France 4, 2139…

This work presents a finite element method for a modified Poisson-Nernst-Planck/Navier-Stokes (PNP/NS) model under the mechanical equilibrium, developed for compressible electrolytes. Another key contribution of this work is the reduction…

We outline a partial-fractions decomposition method for determining the one-particle spectral function and single-particle density of states of a correlated electronic system on a finite lattice in the non self-consistent T-matrix…

We consider the meta-equilibrium state of a composite system made up of independent subsystems satisfying the additive form of external constraints, as recently discussed by Abe [Phys. Rev. E {\bf 63}, 061105 (2001)]. We derive the additive…

Entropy is a central concept in physics, but can be challenging to calculate even for systems that are easily simulated. This is exacerbated out of equilibrium, where generally little is known about the distribution characterizing simulated…

We investigate out-of-equilibrium entanglement dynamics in a generalization of the so-called $QSSEP$ model, which is a free-fermion chain with stochastic in space and time hopping amplitudes. In our setup, the noisy amplitudes are…

For a closed-loop control system with a digital channel between the sensor and the controller, the notion of invariance entropy quantifies the smallest average rate of information above which a given compact subset of the state space can be…

Using a recently developed technique to estimate the equilibrium free energy of glassy materials, we explore if equilibrium simulation methods can be used to estimate the solubility of amorphous solids. As an illustration, we compute the…

The biggest challenge in manufacturing an immiscible system is phase segregation and non-uniformity inside the composite matrix. Additive manufacturing has the potential to overcome these difficulties due to the high cooling rate achieved…

Predicting and interpreting thermal performance under oscillating flow in porous structures remains a critical challenge due to the complex coupling between fluid dynamics and geometric features. This study introduces a data-driven…

We introduce a numerical method to sample the distributions of charge, heat, and entropy production in open quantum systems coupled strongly to macroscopic reservoirs, with both temporal and energy resolution and beyond the linear-response…

We develop a multicomponent lattice Boltzmann (LB) model for the 2D Rayleigh--Taylor turbulence with a Shan-Chen pseudopotential implemented on GPUs. In the immiscible case this method is able to accurately overcome the inherent numerical…

We investigate the theory of thermodynamic formalism from the perspective of computable analysis, with a special focus on the computability of equilibrium states. Specifically, we develop two complementary general approaches to verify the…

In this paper, we consider discrete-time non-linear stochastic dynamical systems with additive process noise in which both the initial state and noise distributions are uncertain. Our goal is to quantify how the uncertainty in these…

Solid solutions, structurally ordered but compositionally disordered mixtures, can form for salts, metals, and even organic compounds. The NaCl-KCl system forms a solid solution at all compositions between 657{\deg}C and 505{\deg}C. Below a…

We present a review of the Non-additive Stochastic Model for supercooled liquids (NSM), an efficient approach for diffusive processes that provides a suitable interpretation for the non-Arrhenius dynamics in these materials. Based on a…

We discuss level crossing of the free-energy of TAP solutions under variations of external parameters such as magnetic field or temperature in mean-field spin-glass models that exhibit one-step Replica-Symmetry-Breaking (1RSB). We study the…

Nonequilibrium self-assembly is the root of all emergent complexity, including life. In quantum materials emergent metastable states have become a very fashionable topic of research, but the study of resulting mesoscopic state dynamics is…

We develop a first-principles model of thermally-activated cross-slip in magnesium in the presence of a random solute distribution. Electronic structure methods provide data for the interaction of solutes with prismatic dislocation cores…