Related papers: Coupling Temperature Distribution with the Single …
Essential to various practical applications of lithium-ion batteries is the availability of accurate equivalent circuit models. This paper presents a new coupled electro-thermal model for batteries and studies how to extract it from data.…
From first principles, we calculate the Heisenberg interactions between neighboring dimers in several compounds within the Et$_{n}$Me$_{4-n}X$[Pd(dmit)$_2$]$_2$ (Et = ethyl, Me = methyl, dmit = 2-thioxo-1,3-dithiole-4,5-dithiolate) family…
Melting is a high temperature process that requires extensive sampling of configuration space, thus making melting temperature prediction computationally very expensive and challenging. Over the past few years, I have built two methods to…
In this paper we consider a geothermal energy storage in which the spatio-temporal temperature distribution is modeled by a heat equation with a convection term. Such storages often are embedded in residential heating systems and control…
Low ambient temperatures significantly reduce Lithium ion batteries' (LIBs') charge/discharge power and energy capacity, and cause rapid degradation through lithium plating. These limitations can be addressed by preheating the LIB with an…
The temperature-dependence of dynamical properties (e.g., the asymptotic diffusion coefficient and the sub-diffusive exponent) are calculated for charges and excitons in one-dimensional systems subject to static and dynamic disorder. These…
Density Functional Theory (DFT) is a powerful and accurate tool exploited in Nuclear Physics to investigate the ground-state and some collective properties of nuclei along the whole nuclear chart. Models based on DFT are, however, not…
Electrochemical and equivalent-circuit modelling are the two most popular approaches to battery simulation, but the former is computationally expensive and the latter provides limited physical insight. A theoretical middle ground would be…
The temperature distribution in the battery significantly impacts the short-term and long-term performance of battery systems. Therefore, efficient, safe, and reliable battery system operation requires an accurate estimation of the…
In order to account for non-Fourier heat transport, occurring on short time and length scales, the often-praised Dual-Phase-Lag (DPL) model was conceived, introducing a causality relation between the onset of heat flux and the temperature…
Failures attributed to hydrogen embrittlement are a major concern for metals so a better understanding of damage micro-mechanisms and hydrogen diffusion within the metal is needed. Local concentrations depend on transport phenomena…
Dielectrophoresis (DEP), the motion of polarizable particles in non-uniform electric fields, has become an important tool for the transport, separation, and characterization of microparticles in biomedical and nanoelectronics research. In…
This paper investigates the state estimation of a high-fidelity spatially resolved thermal- electrochemical lithium-ion battery model commonly referred to as the pseudo two-dimensional model. The partial-differential algebraic equations…
Field-scale properties of fractured rocks play crucial role in many subsurface applications, yet methodologies for identification of the statistical parameters of a discrete fracture network (DFN) are scarce. We present an inversion…
This work investigates two physics-based models that simulate the non-linear partial differential algebraic equations describing an electric double layer supercapacitor. In one model the linear dependence between electrolyte concentration…
This paper studies the design and dynamic modelling of a novel thermal energy storage (TES) system combined with a refrigeration system based on phase change materials (PCM). Cold-energy production supported by TES systems is a very…
The article presents results of discrete thermodynamics (DTD) basic application to electrochemical systems. Consistent treatment of the electrochemical system as comprising two interacting subsystems - the chemical and the electrical…
By combining different ideas, a general and efficient protocol to deal with discontinuous phase transitions at low temperatures is proposed. For small $T$'s, it is possible to derive a generic analytic expression for appropriate order…
A new method that accurately describes strongly correlated states and captures dynamical correlation is presented. It is derived as a modification of coupled-cluster theory with single and double excitations (CCSD) through consideration of…
Density Functional Theory (DFT) has become a cornerstone in the modeling of metals. However, accurately simulating metals, particularly under extreme conditions, presents two significant challenges. First, simulating complex metallic…