Related papers: Self-consistent potential correction for charged p…
We present a multiscale simulation framework to compute the current vs. voltage (I-V ) characteristics of metal/oxide/metal structures building the core of conductive bridging random access memory (CBRAM) cells and to shed light on their…
A self-consistent model of bipolar charge-carrier injection and transport processes in a semiconductor/insulator/conductor system is developed which incorporates space-charge effects in the description of the injection process. The amount…
New stochastic approaches for the computation of electronic excitations are developed within the many-body perturbation theory. Three approximations to the electronic self-energy are considered: $G_0W_0$, $G_0W_0^tc$, and…
Modeling lithium-ion battery (LIB) degradation offers significant cost savings and enhances the safety and reliability of electric vehicles (EVs) and battery energy storage systems (BESS). Whilst data-driven methods have received great…
We propose a pseudopotential for the electron-electron Coulomb interaction to improve the efficiency of many-body electronic structure calculations. The pseudopotential accurately replicates the scattering properties of the Coulomb…
A Rayleigh-Schrodinger type of perturbation scheme is employed to study weak self-interacting scalar potential perturbations occurring in scalar field models describing 1D domain kinks and 3D domain walls. The solutions for the unperturbed…
A charge conserving approximation scheme determining the excitations of crystalline solids is proposed. Like other such approximations, it relies on "downfolding" of the original microscopic model to a simpler electronic model on the…
The modified Poisson-Boltzmann theory of the restricted primitive model double layer is revisited and recast in a fresh, slightly broader perspective. Derivation of relevant equations follow the techniques utilized in the earlier MPB4 and…
A method of the self-consistent calculation of the thermodynamical and correlation functions is presented. This approach is based on the GRPA (generalized random phase approximation) scheme with the inclusion of the mean field corrections.…
The computational cost of micromechanics for heterogeneous materials can be reduced in certain cases where symmetric boundary conditions are applicable. We derived an eighth symmetric formulation of the Generalized Method of Cells for…
Stabilization and dispersion of electrical charge by colloids in non-polar media, such as nano-particles or inverse micelles, is significant for a variety of chemical and technological applications, ranging from drug delivery to e-ink. Many…
Response calibration is the process of inferring how much the measured data depend on the signal one is interested in. It is essential for any quantitative signal estimation on the basis of the data. Here, we investigate self-calibration…
Power systems are globally experiencing an unprecedented growth in size and complexity due to the advent of nonconventional generation and consumption technologies. To navigate computational complexity, power system dynamic models are often…
Self interaction error remains an impotrant problem in density functional theory. A number of approximations to exact exchange aimed to correct for this error while retainining computational efficiency had been suggested recently. We…
We consider an expression for the supercurrent in the superconformal formulation of N=1 supergravity. A chiral compensator provides the supersymmetric formulation of the Callan-Coleman-Jackiw (CCJ) improved stress energy tensor, when the…
Pulse charging can be used to boost up charging speed for lithium-ion batteries and delay battery capacity fading by periodically pausing the current during charging. However, this technique introduces intermittence for current and may thus…
Ab initio calculations of the electronic energy loss of ions moving in aluminum crystal are presented, within linear-response theory, from a realistic description of the one-electron band-structure and a full treatment of the dynamical…
We study QED corrections to operator matrix elements involving heavy composite particles (e.g., heavy-mesons, nuclei, and atoms). We define a new notion of reducible and irreducible graphs which is useful for systems with many discrete…
Recently developed supersymmetric perturbation theory has been successfully employed to make a complete mathematical analysis the reason behind exact solvability of some non-central potentials. This investigation clarifies once more the…
Automotive industry is moving toward fully electric and hybrid electric vehicles. Accordingly, energy storage unit is one of the most important blocks in these electric drives. Battery stacks which contain a number of cells are being used…