相关论文: Coupling Temperature Distribution with the Single …
We have investigated the temperature dependence of the photoluminescence spectra and average photoluminescence decay rate of CdTe quantum dot monolayers of different sizes as a function of concentration in the range 77 K to 296 K. It is…
In this article we investigate a model for the temperature within a Lithium-Ion battery. The model takes the form of a parabolic PDE for the temperature coupled with two elliptic PDE's for the electric potential within the solid and…
Photo-excited carriers, distributed among the localized states of self-assembled quantum dots, often show very anomalous temperature dependent photoluminescence characteristics. The temperature dependence of the peak emission energy may be…
Partial differential equations can be used to model many problems in several fields of application including, e.g., fluid mechanics, heat and mass transfer, and electromagnetism. Accurate discretization methods (e.g., finite element or…
Thermal errors in machine tools significantly impact machining precision and productivity. Traditional thermal error correction/compensation methods rely on measured temperature-deformation fields or on transfer functions. Most existing…
Based on the direct method of molecular dynamics, the temperature dependence of energy, partition function, entropy and free energy, describing the first-order phase transition, is calculated for the classical Peyrard-Bishop-Dauxois model…
Simulating warm dense matter that undergoes a wide range of temperatures and densities is challenging. Predictive theoretical models, such as quantum-mechanics-based first-principles molecular dynamics (FPMD), require a huge amount of…
DandeLiion (available at dandeliion.com) is a robust and extremely fast solver for the Doyle Fuller Newman (DFN) model, the standard electrochemical model for (dis)charge of a planar lithium-ion cell. DandeLiion conserves lithium, uses a…
Modern laboratory techniques like ultrafast laser excitation and shock compression can bring matter into highly nonequilibrium states with complex structural transformation, metallization and dissociation dynamics. To understand and model…
We consider the mathematical treatment of a system of nonlinear partial differential equations based on a model, proposed in 1972 by J. Newman, in which the coupling between the Lithium concentration, the phase potentials and temperature in…
Predicting nanoscale thermal transport in dielectrics requires models, such as the Boltzmann transport equation (BTE), that account for phonon boundary scattering in structures with complex geometries. Although the BTE has been validated…
Split computing has emerged as a recent paradigm for implementation of DNN-based AI workloads, wherein a DNN model is split into two parts, one of which is executed on a mobile/client device and the other on an edge-server (or cloud). Data…
The temperature dependence of a charge mobility in a model DNA based on Holstein Hamiltonian is calculated for 4 types of homogeneous sequences It has turned out that upon rescaling all 4 types are quite similar. Two types of rescaling,…
A normal ordered exponential parametrization is used to obtain equations for thermal one-and two-particle reduced density matrices, as well as free energies, partition functions and entropy for both Fermionic (electronic) and Bosonic…
We present a theory to model carrier mediated ferromagnetism in concentrated or diluted local moment systems. The electronic subsystem of the Kondo lattice model is described by a combined equation of motion / coherent potential…
We present a modified Marrone-Treanor model for dissociation with rate parameters derived exclusively from quasiclassical trajectory calculations on ab initio potential energy surfaces. Analysis of the trajectory dataset for reactant O2 and…
A lattice spin-fermion model for diluted magnetic semiconductors (DMS) is investigated numerically, improving on previously used mean-field (MF) approximations. Curie temperatures are obtained varying the Mn-spin x and hole n densities, and…
In this contribution we present a new modeling and simulation framework for parametrized Lithium-ion battery cells. We first derive a new continuum model for a rather general intercalation battery cell on the basis of non-equilibrium…
Dissipative particle dynamics (DPD) does not conserve energy and this precludes its use in the study of thermal processes in complex fluids. We present here a generalization of DPD that incorporates an internal energy and a temperature…
We study the time-dependent fluorescence of an initially hot, multi-level, single atomic ion trapped in a radio-frequency Paul trap during Doppler cooling. We have developed an analytical model that describes the fluorescence dynamics…