Related papers: An Improved Physics Based Numerical Model of Tunne…
The modeling of solid-state transformations, such as polymorphic transitions and chemical reactions in molecular crystals, is vital for many applications including drug design or the development of new synthesis methods. However, a…
A modification of the nudged elastic band (NEB) method is presented that enables stable optimisations to be run using both the limited-memory quasi-Newton (L-BFGS) and slow-response quenched velocity Verlet (SQVV) minimisers. The…
We recently introduced a quantized fluctuational electrodynamics (QFED) formalism that provides a physically insightful definition of an effective position-dependent photon-number operator and the associated ladder operators. However, this…
Complex mechanic systems simulation is important in many real-world applications. The de-facto numeric solver using Finite Element Method (FEM) suffers from computationally intensive overhead. Though with many progress on the reduction of…
We develop a simulation framework for electrostatic and transport modeling of 2D Topological insulator field-effect transistor (2D TIFETs), based solely on first-principles calculations using density functional theory (DFT). We find that…
This paper presents a method to simulate the thermal behavior of 3D systems using a graph neural network. The method discussed achieves a significant speed-up with respect to a traditional finite-element simulation. The graph neural network…
The electronic band structures of two-dimensional materials are significantly different from those of their bulk counterparts, due to quantum confinement and strong modifications of electronic screening. An accurate determination of…
We apply the well-established theoretical method developed for geometrical nonlinearities of micro/nano-mechanical clamped beams to circular drums. The calculation is performed under the same hypotheses, the extra difficulty being to…
In this work, we present a combination of a multigrid approach and the phi-FEM immersed boundary finite element method to reduce its computational cost while preserving its accuracy. To further reduce the numerical cost of the approach, we…
In this work, we investigate the transport phenomena in compound semiconductor material based buried channel Quantum Well MOSFET with a view to developing a simple and effective model for the device current. Device simulation has been…
In this work, we present a numerical model specifically designed for 3D multilayer devices, with a focus on nanobridge junctions and coplanar waveguides. Unlike existing numerical models, ours does not approximate the physical layout or…
Low-loss optical communication requires light sources at 1.5um wavelengths. Experiments showed without much theoretical guidance that InAs/GaAs quantum dots (QDs) may be tuned to such wavelengths by adjusting the In fraction in an…
A near-field wideband communication system is investigated in which a base station (BS) employs an extra-large scale antenna array (ELAA) to serve multiple users in its near-field region. To facilitate near-field multi-user beamforming and…
We investigate optimal band structures in band-converged systems to achieve high zT using numerical calculations based on a virtual spectral conductivity model. We consider a two parabolic band system, in which multiple band parameters can…
Labelling data is expensive and time consuming especially for domains such as medical imaging that contain volumetric imaging data and require expert knowledge. Exploiting a larger pool of labeled data available across multiple centers,…
Two-dimensional (2D) transition metal dichalcogenide (TMD) materials have versatile electronic and optical properties. TMD nanoribbons show interesting properties due to reduced dimensionality, quantum confinement, and edge states. Tang et…
Background: Windowed Fourier decompositions (WFD) are widely used in measuring stationary and non-stationary spectral phenomena and in describing pairwise relationships among multiple signals. Although a variety of WFDs see frequent…
This database outlines the development of a numerical model for simulating pavement mechanical behavior under the Traffic Speed Deflectometer (TSD).
Strain engineering has recently been explored to improve tunnel field-effect transistors (TFETs). Here, we report design and performance of strained ultra-thin-body (UTB) III-V TFETs by quantum transport simulations. It is found that for an…
The continued miniaturization of semiconductor devices, represented by Moore's law, has reached the atomic scale limit, requiring nanoscale quantum mechanical effects to be included in device simulations without empirical parameters. For…