Related papers: Enhancing multiscale simulations for spark plasma …
Numerical simulation of the laser powder bed fusion (LPBF) procedure for additive manufacturing (AM) is difficult due to the presence of multiple scales in both time and space, ranging from the part scale (order of millimeters/seconds) to…
Scientific software is often driven by multiple parameters that affect both accuracy and performance. Since finding the optimal configuration of these parameters is a highly complex task, it extremely common that the software is used…
The modeling of powder compaction process, such as spark plasma sintering (SPS), requires the determination of the visco-plastic deformation behavior of the particle material including the viscosity moduli. The establishment of these…
Estimating simulation-ready scenes from real-world observations is crucial for downstream planning and policy learning tasks. Regretfully, existing methods struggle in cluttered environments, often exhibiting prohibitive computational cost,…
This review describes recent advances by the authors and others on the topic of incorporating experimental data into molecular simulations through maximum entropy methods. Methods which incorporate experimental data improve accuracy in…
In this paper we present a fully-coupled, two-scale homogenization method for dynamic loading in the spirit of FE$^2$ methods. The framework considers the balance of linear momentum including inertia at the microscale to capture possible…
The design of advanced nuclear reactors (Gen IV) involves an array of challenging fluid-flow issues that affect safety and performance. Currently, these problems are addressed in an ad-hoc manner at varying scales which are time-consuming…
The point spread function (PSF) is fundamental to any type of microscopy, most importantly so for single-molecule localization techniques, where the exact PSF shape is crucial for precise molecule localization at the nanoscale. However,…
Tin (Sn) plays a crucial role in studying the dynamic mechanical responses of ductile metals under shock loading. Atomistic simulations serves to unveil the nano-scale mechanisms for critical behaviors of dynamic responses. However,…
A variety of simulation methodologies have been used for modeling reaction-diffusion dynamics -- including approaches based on Differential Equations (DE), the Stochastic Simulation Algorithm (SSA), Brownian Dynamics (BD), Green's Function…
Meso-scale simulations of energy localization at hotspots provide closure models for multiscale frameworks of shock-to-detonation transition (SDT). Validation of such meso-scale calculations is challenging as direct comparison with…
We have developed the first laser damage simulation algorithm capable of determining crater and surface modification morphology from microscopic physics. Rapid progress in the field of high intensity ultrafast lasers has enabled its utility…
In this work, we introduce DeepFlame, an open-source C++ platform with the capabilities of utilising machine learning algorithms and pre-trained models to solve for reactive flows. We combine the individual strengths of the computational…
Efficient simulation of Laser Powder Bed Fusion (LPBF) is crucial for process prediction due to the lasting issue of high computational cost associated with traditional numerical methods such as finite element analysis (FEA). While a…
Deep model training on extensive datasets is increasingly becoming cost-prohibitive, prompting the widespread adoption of deep model fusion techniques to leverage knowledge from pre-existing models. From simple weight averaging to more…
In this paper we derive and analyse efficient and stable numerical methods for accurate numerical simulations of nonlinear dynamic shear ruptures on non-planar faults embedded in 3D elastic solids using dual-paring (DP) summation by parts…
Machine-learning-based interatomic potential energy surface (PES) models are revolutionizing the field of molecular modeling. However, although much faster than electronic structure schemes, these models suffer from costly computations via…
Plasma processing of superconducting radio frequency (SRF) cavities has shown an improvement in accelerating gradient by reducing the radiation due to field emission and multipacting. Plasma processing is a common technique where the free…
A hybrid sharp-interface immersed-boundary/front-tracking (IB/FT) method is developed for interface-resolved simulation of evaporating droplets in incompressible multiphase flows. A one-field formulation is used to solve the flow, species…
Microkinetics allows detailed modelling of chemical transformations occurring in many industrially relevant reactions. Traditional way of solving the microkinetics model for Fischer-Tropsch synthesis (FTS) becomes inefficient when it comes…