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Next-generation nano and quantum devices have increasingly complex 3D structure. As the dimensions of these devices shrink to the nanoscale, their performance is often governed by interface quality or precise chemical or dopant composition.…
Recent advances in electron microscopy have enabled the imaging of single cells in 3D at nanometer length scale resolutions. An uncharted frontier for in silico biology is the ability to simulate cellular processes using these observed…
We develop a multiscale hybrid scheme for simulations of soft condensed matter systems, which allows one to treat the system at the particle level in selected regions of space, and at the continuum level elsewhere. It is derived…
This paper describes in detail the implementation of a finite element technique for solving the compressible Navier-Stokes equations that is provably robust and demonstrates excellent performance on modern computer hardware. The method is…
The Kohn-Sham equation is a powerful, widely used approach for computation of ground state electronic energies and densities in chemistry, materials science, biology, and nanosciences. In this paper, we study the adaptive finite element…
Large-scale 3D martensitic microstructure evolution problems are studied using a finite-element discretization of a finite-strain phase-field model. The model admits an arbitrary crystallography of transformation and arbitrary elastic…
This paper presents a novel approach for simulating plasma instabilities in tokamak plasmas using the piecewise field-aligned finite element method in combination with the particle-in-cell method. Our method traditionally aligns the…
Finite element method applications are a common approach to simulate a handful of phenomena but can take a lot of computing power, causing elevated waiting time to produce precise results. The radiofrequency ablation finite element method…
We present a novel computational framework to simulate the electromechanical response of self-sensing carbon nanotube (CNT)-based composites experiencing fracture. The computational framework combines electrical-deformation-fracture finite…
Using two-dimensional (2D) and three-dimensional (3D) kinetic simulations, we examine the impact of simulation dimensionality on the laser-driven electron acceleration and the emission of collimated $\gamma$-ray beams from hollow…
To deal with the multi-scale nature of the quench propagation problem in superconducting magnets, this work presents a quasi-three-dimensional (Q3D) approach combining a two-dimensional finite-element method (FEM) in the transversal…
Beyond active material intrinsic properties, the electrode manufacturing process is a crucial step to reach high energy density and long-life of Li-ion batteries. In particular, very high pressures are applied to the electrode during the…
A time domain finite element numerical study of impedance spectroscopy in composite electroceramics is presented. The simulations take into account the complexity of the realistic three dimensional granular structure including grains and…
New techniques for imaging electromagnetic near-fields in nanostructures drive advancements in nanotechnology, optoelectronics, materials science, and biochemistry. Most existing techniques probe near-fields along surfaces, lacking the…
Finite element simulations have been used to solve various partial differential equations (PDEs) that model physical, chemical, and biological phenomena. The resulting discretized solutions to PDEs often do not satisfy requisite physical…
Using the Green's dyad technique based on cuboidal meshing, we compute the electromagnetic field scattered by metal nanorods with high aspect ratio. We investigate the effect of the meshing shape on the numerical simulations. We observe…
We present a method for the automatic generation of netlists describing general three-dimensional electrothermal and electromagnetic field problems. Using a pair of structured orthogonal grids as spatial discretisation, a one-to-one…
A variety of problems in device and materials design require the rapid forward modeling of Maxwell's equations in complex micro-structured materials. By combining high-order accurate integral equation methods with classical multiple…
Interfacial energy plays an important role in equilibrium morphologies of nanosized microstructures of solid materials due to the high interface-to-volume ratio, and can no longer be neglected as it does in conventional mechanics analysis.…
Functional aspects as well as the influence of integration technology on the system behavior have to be considered in the 3D integration design process of micro systems. Therefore, information from different physical domains has to be…