Related papers: Numerical aspect of large-scale electronic state c…
This work aims at providing a mathematical and numerical framework for the analysis on the effects of pulsed electric fields on biological media. Biological tissues and cell suspensions are described as having a heteregeneous permittivity…
Device figures of merit are commonly employed to assess bulk material properties for a particular device class, yet these properties ultimately originate in the linear and nonlinear susceptibilities of the material which are not independent…
This contribution reports the study of a set of molecular electronic-structure reorganization representations related to light-induced electronic transitions, modeled in the framework of time-dependent density-functional response theory.…
Many forms of programmable matter have been proposed for various tasks. We use an abstract model of self-organizing particle systems for programmable matter which could be used for a variety of applications, including smart paint and…
Using dimensionally reduced models for the numerical simulation of thin objects is highly attractive as this reduces the computational work substantially. The case of narrow thin elastic bands is considered and a convergent finite element…
We consider the common problem setting of an elastic sphere impacting on a flexible beam. In contrast to previous studies, we analyze the modal energy distribution induced by the impact, having in mind the particular application of impact…
In this article we propose and numerically implement a mathematical model for the simulation of three-dimensional semiconductor devices characterized by an heterogeneous material structure. The model consists of a system of nonlinearly…
Electronic properties of III-V semiconductor alloys are examined using first principles with the focus on the spatial localization of electronic states. We compare localization at the band edges due to various isovalent impurities in a host…
Electro-optic modulation is a key function for data communication. Given the vast amount of data handled, understanding the intricate physics and trade-offs of modulators on-chip allows revealing performance regimes not explored yet. Here…
The operation of a novel nonvolatile memory device based on a conductive ferroelectric/non-ferroelectric thin film multilayer stack is simulated numerically. The simulation involves the self-consistent steady state solution of Poisson's…
Wavefunctions for large electron numbers suffer from an exponential growth of the Hilbert space which is required for their description. In fact, as pointed out by W. Kohn, for electron numbers $N > N_0$ where $N_0 \approx 10^3$ they become…
Electronically excited states of molecules are at the heart of photochemistry, photophysics, as well as photobiology and also play a role in material science. Their theoretical description requires highly accurate quantum chemical…
On the base of modified mode matching method we obtain some results that can be useful in the process of tuning of nonunifrom disk-loaded structures. Our consideration has shown that there are some parameters that depend only on the…
Practical measures of electronic decoherence, called distilled purities, that are applicable to many-body systems are introduced. While usual measures of electronic decoherence such as the purity employ the full $N$-particle density matrix…
Quantum embedding theories are promising approaches to investigate strongly-correlated electronic states of active regions of large-scale molecular or condensed systems. Notable examples are spin defects in semiconductors and insulators. We…
Advancements in modern semiconductor devices increasingly depend on the utilization of amorphous materials and the reduction of material thickness, pushing the boundaries of their physical capabilities. The mechanical properties of these…
The analysis of wave propagation problems in linear damped media must take into account both propagation features and attenuation process. To perform accurate numerical investigations by the finite differences or finite element method, one…
This paper deals with the mathematical modelling of large strain electro-viscoelastic deformations in electro-active polymers. Energy dissipation is assumed to occur due to mechanical viscoelasticity of the polymer as well as due to…
In this work we propose an efficient and accurate multi-scale optical simulation algorithm by applying a numerical version of slowly varying envelope approximation in FEM. Specifically, we employ the fast iterative method to quickly compute…
Quantifying the effects on electromagnetic waves scattered by objects of uncertain shape is key for robust design, particularly in high precision applications. Assuming small random perturbations departing from a nominal domain, the…