Related papers: An Object-Oriented Library for Heat Transfer Model…
From the nano-scale to the macro-scale, biological tissue is spatially heterogeneous. Even when tissue behavior is well understood, the exact subject specific spatial distribution of material properties is often unknown. And, when…
This work proposes an extension of phase change and latent heat models for the simulation of metal powder bed fusion additive manufacturing processes on the macroscale and compares different models with respect to accuracy and numerical…
This work addresses the simulation of heat flow and electric currents in thin wires. An important application is the use of bond wires in microelectronic chip packaging. The heat distribution is modeled by an electrothermal coupled problem,…
The dependence on finite reserves of raw materials and the production of waste are two unsolved problems of the traditional linear economy. Healthcare, as a major sector of any nation, is currently facing them. Hence, in this paper, we…
Complex systems produce high-dimensional signals that lack macroscopic variables analogous to entropy, temperature, or free energy. This work introduces a thermoinformational formulation that derives entropy, internal energy, temperature,…
Living systems produce copies of information-carrying molecules such as DNA by assembling monomer units into finite-length oligomer (short polymer) copies. We explore the role of initiation and termination of the copy process in the…
This paper is concerned with the analysis of effective thermomechanical properties of multi- layered materials of interest for solid oxide fuel cells (SOFC) and lithium ions batteries fabrication. The recently developed asymptotic…
Constructing first principles models is a challenging task for nonlinear and complex systems such as a wastewater treatment unit. In recent years, data-driven models are widely used to overcome the complexity. However, they often suffer…
A comprehensive description of molecular electron transfer reactions is essential for our understanding of fundamental phenomena in bio-energetics and molecular electronics. Experimental studies of molecular systems in condensed-phase…
The dynamic heat transfer between two half-spaces separated by a vacuum gap due to coupling of their surface modes is modelled using the theory that describes the dynamic energy transfer between two coupled harmonic oscillators each…
Laboratory plasma production almost always preferentially heats either the ions or electrons, leading to a two-temperature state. High-fidelity modeling of these systems can be achieved with density functional theory molecular dynamics in…
Thermal microstructures are artificially engineered materials designed to manipulate and control heat flow in unconventional ways. This paper presents an educational framework, called \emph{OpenTM}, to use a single GPU for designing…
The simulation of borosilicate glasses is challenging due to the composition and temperature dependent coordination state of boron atoms. Here, we present a newly developed machine learning optimized classical potential for molecular…
At the Mott transition, electron-electron interaction changes a metal, in which electrons are itinerant, to an insulator, in which electrons are localized. This phenomenon is central to quantum materials. Here we contribute to its…
Many key industrial processes, from electricity production, conversion and storage to electrocatalysis or electrochemistry in general, rely on physical mechanisms occurring at the interface between a metallic electrode and an electrolyte…
An equation based reduced order model applicable to generalized heat equation and thermal simulations of power electronics systems developed in commercial CFD tools, is presented in this work. The model considers the physics of heat…
We propose an embedding of standard active particle models in terms of two-temperature processes. One temperature refers to an ambient thermal bath, and the other temperature effectively describes ``hot spots,'' i.e., systems with few…
Molecular dynamics simulations play an increasingly important role in the rational design of (nano)-materials and in the study of biomacromolecules. However, generating input files and realistic starting coordinates for these simulations is…
Soft porous crystals present a challenge to molecular dynamics simulations with flexible size and shape of the simulation cell (i.e., in the NPT ensemble), since their framework responds very sensitively to small external stimuli. Hence,…
Templated copying is the central operation by which biology produces complex molecules. Cells copy sequence information from DNA to RNA and on into proteins, which are the molecules responsible for the function and regulation of cellular…