相关论文: Coupling Temperature Distribution with the Single …

An isothermal porous-electrode model of a discharging lead-acid battery is presented, which includes an extension of concentrated-solution theory that accounts for excluded-volume effects, local pressure variation, and a detailed…

The exponential computational cost of describing strongly correlated electrons can be mitigated by adopting a reduced density-matrix (RDM)-based description of the electronic structure. While variational two-electron RDM (v2RDM) methods can…

In a previous work one of the authors proposed a simple model for studying systems under pressure based on the Thomas-Fermi (TF) model of single atom. In this work we intend to extend the previous work to more general Thomas-Fermi models…

We analyze the thermodynamic properties of a simplified model for folded RNA molecules recently studied by G. Vernizzi, H. Orland, A. Zee (in {\it Phys. Rev. Lett.} {\bf 94} (2005) 168103). The model consists of a chain of one-flavor base…

The Cahn-Hilliard equation is a fundamental model that describes phase separation processes of binary mixtures. In this paper we focus on the dynamics of these binary media, when the underlying temperature is not constant. The aim of this…

An approach to derive low-complexity models describing thermal radiation for the sake of simulating the behavior of electric arcs in switchgear systems is presented. The idea is to approximate the (high dimensional) full-order equations,…

Alkaline electrolyte solutions are important components in rechargeable batteries and alkaline fuel cells. As the ionic conductivity is thought to be a limiting factor in the performance of these devices, which are often operated at…

Knowledge Distillation (KD) trains a smaller student model using a large, pre-trained teacher model, with temperature as a key hyperparameter controlling the softness of output probabilities. Traditional methods use a fixed temperature…

By combining ab initio quantum mechanics calculation and Drude model, electron temperature and lattice temperature dependent electron thermal conductivity is calculated and implemented into a multiscale model of laser material interaction,…

Due to the increasing market share of electric vehicles (EVs), the optimal thermal management (TM) of batteries has recently received significant attention. Optimal battery temperature control is challenging, requiring a detailed model and…

Disorder, though naturally present in experimental samples and strongly influencing a wide range of material phenomena, remains underexplored in first-principles studies due to the computational cost of sampling the large supercell and…

Understanding and modeling snow particle dynamics in the atmosphere remains a significant challenge for atmospheric scientists, hydrologists, and glaciologists. Temporally and spatially varying rates of snow transport, deposition, and…

Dissipative particle dynamics (DPD) is a novel particle method for mesoscale modeling of complex fluids. DPD particles are often thought to represent packets of real atoms, and the physical scale probed in DPD models are determined by the…

A decrease in current with increasing voltage, often referred to as negative differential resistance (NDR), has been observed in many electronic devices and can usually be understood within a one-electron picture. However, NDR has recently…

The direct variational optimization of the two-electron reduced density matrix (2RDM) can provide a reference-independent description of the electronic structure of many-electron systems that naturally captures strong or nondynamic…

We propose a modified Poisson-Nernst-Planck (PNP) model to investigate charge transport in electrolytes of inhomogeneous dielectric environment. The model includes the ionic polarization due to the dielectric inhomogeneity and the ion-ion…

A single molecule break junction device serves as a tunable model system for probing the many body Kondo state. The low-energy properties of this state are commonly described in terms of a Kondo model, where the response of the system to…

The dependence of the lower critical solution temperature (LCST) of charged, thermosensitive copolymers on their charge fraction and the salt concentration is investigated by employing systematic cloud-point experiments and analytical…

Within quantum thermodynamics, many tasks are modelled by processes that require work sources represented by out-of-equilibrium quantum systems, often dubbed quantum batteries, in which work can be deposited or from which work can be…

Laser cooling of rare-earth doped solids has been demonstrated across a wide range of material platforms, inspiring the development of simple phenomenological models such as the four-level model to elucidate the universal properties of…