Related papers: Extended MARTINI Water Model for Heat Transfer Stu…
The Transfer Matrix Method (TMM) is a widely used technique for modeling linear propagation of electromagnetic waves through stratified layered media. However, since its extension to inhomogeneous and nonlinear systems is not…
Increasing shares of fluctuating renewable energy sources induce higher and higher power flow variability at the transmission level. The question arises as to what extent existing networks can absorb additional fluctuating power injection…
The recently observed temperature-dependent quasiphase transition of the single-file water chain confined within a carbon nanotube in experiments has been validated by the simple lattice theory and molecular dynamics simulations. It has…
In this paper, we present an Online Generalized Multiscale Finite Element Method(Online GMsFEM) for heat and mass transfer problem in heterogeneous media with artificial ground freezing pipes. The mathematical model of the process is based…
Numerical climate model simulations run at high spatial and temporal resolutions generate massive quantities of data. As our computing capabilities continue to increase, storing all of the data is not sustainable, and thus it is important…
A Trotter-Suzuki mapping is used to calculate the finite-temperature properties of the one-dimensional supersymmetric $t-J$ model. This approach allows for the exact calculation of various thermodynamical properties by means of the quantum…
Sintering, as a thermal process at elevated temperature below the melting point, is widely used to bond contacting particles into engineering products such as ceramics, metals, polymers, and cemented carbides. Modelling and simulation as…
In this work, we derive a multi-fragment real-time extension of projected density matrix embedding theory (pDMET) designed to treat non-equilibrium electron dynamics in strongly correlated systems. As in the previously developed static…
Calculating sublimation enthalpies of molecular crystal polymorphs is relevant to a wide range of technological applications. However, predicting these quantities at first-principles accuracy -- even with the aid of machine learning…
Evaporating droplets and films are used in applications from different fields. Various methods of evaporative self-assembly are of particular interest. The paper describes a mathematical model of mass transfer in a droplet drying on a…
We present a theoretical model for the evolution of mixture concentrations in a micro-pervaporation device, similar to those recently presented experimentally. The described device makes use of the pervaporation of water through a thin PDMS…
This work builds on the previous introduction [1] of a coupled experimental-computational system devised to fully characterize the thermal behavior of complex 3D submicron electronic devices. The new system replaces the laser-based surface…
Quantifying the impacts of anthropogenic global warming requires accurate Earth system model (ESM) simulations. Statistical bias correction and downscaling can be applied to reduce errors and increase the resolution of ESMs. However,…
This work presents a detailed mathematical model combined with an innovative efficient numerical model to predict heat, air and moisture transfer through porous building materials. The model considers the transient effects of air transport…
We investigate a lattice-fluid model of water, defined on a three-dimensional body centered cubic lattice. Model molecules possess a tetrahedral symmetry, with four equivalent bonding arms, aiming to mimic the formation of hydrogen bonds.…
Fast and accurate sampling method is in high demand, in order to bridge the large gaps between molecular dynamic simulations and experimental observations. Recently, integrated tempering enhanced sampling method (ITS) has been proposed and…
Heat transfer simulations of the fused filament fabrication process are an important tool to predict bonding, residual stresses and strength of 3D printed parts. But in order to capture the significant thermal gradients that occur in the…
We present a novel approach to kinetic theory modeling enabling the simulation of a generic, real gas presented by its corresponding equation of state. The model is based on mass, momentum and energy conservation, and unlike the lattice…
Droplet evaporation has been intensively investigated in past decades owing to its emerging applications in diverse fields of science and technology. Yet the role transport mechanisms has been the subject of a heated debate, especially the…
Data-driven emulators are increasingly being used to learn and emulate physics-based simulations, reducing computational expense and run time. Here, we present a structured way to improve the quality of these high-dimensional emulated…