Related papers: New and general framework for adsorption processes…
For a gas-solid interfacial system where chemical species undergo reversible adsorption, we develop a mesoscopic stochastic modeling method that simulates both gas-phase hydrodynamics and surface coverage dynamics by coupling the Langmuir…
We provide a general thermodynamic framework for the understanding of guest-induced structural transitions in hybrid organic-inorganic materials. The method is based on the analysis of experimental adsorption isotherms. It allows the…
The thermodynamics of quantum systems driven out of equilibrium has attracted increasing attention in last the decade, in connection with quantum information and statistical physics, and with a focus on non-classical signatures. While a…
The standard dynamical approach to quantum thermodynamics is based on Markovian master equations describing the thermalization of a system weakly coupled to a large environment, and on tools such as entropy production relations. Here we…
We introduce a new class of filtrations indexed by attracting levels in dynamical systems, providing novel inputs for persistent homology and related methods in topological data analysis. These filtrations quantify, in a forward direction,…
Developing a thermodynamic theory of computation is a challenging task at the interface of non-equilibrium thermodynamics and computer science. In particular, this task requires dealing with difficulties such as stochastic halting times,…
We propose a unified theoretical framework for quantifying spatio-temporal interactions in a stochastic dynamical system based on information geometry. In the proposed framework, the degree of interactions is quantified by the divergence…
We develop a numerical a framework to study phoretic particle dynamics in two dimensions. The particles are modeled as chemically active rigid circles, which can emit or absorb a solute into surrounding fluid. The interaction between…
Interfaces play an essential role in phonon-mediated heat conduction in solids, impacting applications ranging from thermoelectric waste heat recovery to heat dissipation in electronics. From the microscopic perspective, interfacial phonon…
This article presents a new phase-field formulation for non-equilibrium interface conditions in rapid phase transformations. With a particular way of defining concentration fields, the classical sharp and diffuse (thick) interface theories…
We present a general formalism which allows us to derive the evolution equations describing one-dimensional (1D) and isotropic 2D interfacelike systems, that is based on symmetries, conservation laws, multiple scale arguments, and exploits…
We present a multi-scale computational framework suitable for designing solid lubricant interfaces fully in silico. The approach is based on stochastic thermodynamics founded on the classical thermally activated two-dimensional…
The relationship between abstract interpretation and partial deduction has received considerable attention and (partial) integrations have been proposed starting from both the partial deduction and abstract interpretation perspectives. In…
The large number of possible structures of metal-organic frameworks (MOFs) and their limitless potential applications has motivated molecular modelers and researchers to develop methods and models to efficiently assess MOF performance. Some…
This work focuses on the interfacial dynamics with interfacial mass flux in the presence of acceleration and surface tension. We employ the general matrix method to find the fundamental solutions for the linearized boundary value problem…
A mathematical model of the process of carbon capture in a packed column by adsorption is developed and analysed. First a detailed study is made of the governing equations. Due to the complexity of the internal geometry it is standard…
In this article, we propose a novel conservative diffuse-interface method for the simulation of immiscible compressible two-phase flows. The proposed method discretely conserves the mass of each phase, momentum and total energy of the…
We present a theoretical model for the description of the adsorption kinetics of globular proteins onto charged core-shell microgel particles based on Dynamic Density Functional Theory (DDFT). This model builds on a previous description of…
A universal algorithm to derive a macroscopic dynamics from the microscopic dynamical system via the averaging process and symplecto-contact reduction was introduced by Jin-wook Lim and the second-named author in [LO23]. They apply the…
This study investigates human-computer interface generation based on diffusion models to overcome the limitations of traditional template-based design and fixed rule-driven methods. It first analyzes the key challenges of interface…