Related papers: FerroX : A GPU-accelerated, 3D Phase-Field Simulat…
In this contribution we investigate the application of phase-field fracture models on non-linear multiscale computational homogenization schemes. In particular, we introduce different phase-fields on a two-scale problem and develop a…
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…
In the early-stage design of advanced electronic packages, designers face a critical trade-off between simulation fidelity and computational turnaround time. Conventional early-stage methodologies typically achieve speed by relying on…
The accurate and efficient prediction of crack propagation in dielectric materials is a critical challenge in structural health monitoring and the design of smart systems. This work presents a hybrid modeling framework that combines an…
Recent advances in classical simulation of Clifford+T circuits make use of the ZX calculus to iteratively decompose and simplify magic states into stabiliser terms. We improve on this method by studying stabiliser decompositions of ZX…
The prediction of a dielectric breakdown in a high-voltage device is based on criteria that evaluate the electric field along field lines. Therefore it is necessary to efficiently compute the electric field at arbitrary points in space. A…
We present SymPhas 2.0, a major update of the compile-time symbolic algebra simulation framework SymPhas for phase-field and reaction-diffusion models. This release introduces significant expansions and enhancements that enable the…
We present an implementation of all-electron density-functional theory for massively parallel GPGPU-based platforms, using localized atom-centered basis functions and real-space integration grids. Special attention is paid to domain…
The phase field fracture method has emerged as a promising computational tool for modelling a variety of problems including, since recently, hydrogen embrittlement and stress corrosion cracking. In this work, we demonstrate the potential of…
The rapid development of general-purpose computing on graphics processing units (GPGPU) is allowing the implementation of highly-parallelized Monte Carlo simulation chains for particle physics experiments. This technique is particularly…
A quantum computing simulation provides the opportunity to explore the behaviors of quantum circuits, study the properties of quantum gates, and develop quantum computing algorithms. Simulating quantum circuits requires geometric time and…
We propose the Landau model for lock-in phase transitions in uniaxially modulated improper ferroelectric incommensurate-commensurate systems of class I. It includes Umklapp terms of third and fourth order and secondary order parameter…
The combination of Finite Element Method (FEM) simulation and experimental photo-elasticity provides both qualitative and quantitative information about the stress field in a polymer composite and particularly along the fibre-matrix…
Machine learning algorithms are being used more frequently in the first-level triggers in collider experiments, with Graph Neural Networks pushing the hardware requirements of FPGA-based triggers beyond the current state of the art. To meet…
We propose a structure-preserving scheme for a hybrid model that couples the time-dependent Ginzburg-Landau (TDGL) equation of superconducting vortex dynamics and the nonlinear Bardeen-Cooper-Schrieffer (BCS) gap equation. This formulation…
Efficient hybrid DFT simulations of solid state materials would be extremely beneficial for computational chemistry and materials science, but is presently bottlenecked by difficulties in computing Hartree-Fock (HF) exchange with plane wave…
We present adaptive finite element simulations of dendritic and eutectic solidification in binary and ternary alloys. The computations are based on a recently formulated phase-field model that is especially appropriate for modelling…
The coexistence of different ferroelectric phases enables the tunability of the macroscopic properties and extensive applications from piezoelectric transducers to nonvolatile memories. Here we develop a thermodynamic model to predict the…
A series of atomistic finite temperature simulations on a model of an FCC lattice of maghemite nanoparticles using the stochastic Landau-Lifshitz-Gilbert (sLLG) equation are presented. The model exhibits a ferromagnetic transition that is…
We propose an optimization approach for determining both hardware and software parameters for the efficient implementation of a (family of) applications called dense stencil computations on programmable GPGPUs. We first introduce a simple,…