Related papers: An improved numerical simulation methodology for n…
In liquid-fueled combustion systems, optimization of the fuel atomization process is critical to reducing fuel consumption and lowering pollutant emissions. Accurate and efficient computational modeling of liquid atomization can open the…
Deformable elastic bodies in viscous and viscoelastic media constitute a large portion of synthetic and biological complex fluids. We present a parallelized 3D-simulation methodology which fully resolves the momentum balance in the solid…
Generative modeling within constrained sets is essential for scientific and engineering applications involving physical, geometric, or safety requirements (e.g., molecular generation, robotics). We present a unified framework for…
Real-time fluid and aeroacoustic simulation on complex surfaces can have interactive applications - from globe-based weather visualizations to immersive computer games with physically accurate wind and sound. However, conventional…
The use of numerical based multi-phase fluid flow simulation can significantly aid in the development of an effective remediation strategy for groundwater systems contaminated with Dense Non Aqueous Phase Liquid (DNAPL). Incorporating the…
We propose a method for reducing the spatial discretization error of coarse computational fluid dynamics (CFD) problems by enhancing the quality of low-resolution simulations using deep learning. We feed the model with fine-grid data after…
The present research proposes a new memory-efficient method using diffusion models to inject turbulent inflow conditions into Large Eddy Simulation (LES) and Direct Numerical Simulation (DNS) for various flow problems. A guided diffusion…
The present study aims to extend the applicability of the static-boundary absorption method in phase-resolving CFD simulations outside the conventional shallow-water waves limit. Even though this method was originally formulated for…
This paper presents the first high-order computational fluid dynamics (CFD) simulations of static and spinning golf balls at realistic flow conditions. The present results are shown to capture the complex fluid dynamics inside the dimples…
We treat the accurate simulation of the calcination reaction in particles, where the particles are large and, thus, the inner-particle processes must be resolved. Because these processes need to be described with coupled partial…
We propose an approach that links density functional theory (DFT) and molecular dynamics (MD) simulation to study fluid behavior in nanopores in contact with bulk (macropores). It consists of two principal steps. First, the theoretical…
New hybrid Molecular Dynamics-Monte Carlo methods are proposed to increase the efficiency of constant-pressure simulations. Two variations of the isobaric Molecular Dynamics component of the algorithms are considered. In the first, we use…
We present a novel 3D shape completion framework that unifies multimodal conditioning, leveraging both 2D images and 3D partial scans through a latent diffusion model. Shapes are represented as Truncated Signed Distance Functions (TSDFs)…
Computational Fluid Dynamics (CFD) simulations are essential for analyzing and optimizing fluid flows in a wide range of real-world applications. These simulations involve approximating the solutions of the Navier-Stokes differential…
We present an implementation in a linear-scaling density-functional theory code of an electronic enthalpy method, which has been found to be natural and efficient for the ab initio calculation of finite systems under hydrostatic pressure.…
This study employed an artificial intelligence-enhanced molecular simulation framework to enable efficient Path Integral Molecular Dynamics (PIMD) simulations. Owing to its modular architecture and high-throughput capabilities, the…
Focused electron beam induced deposition (FEBID) is a powerful technique for 3D-printing of complex nanodevices. However, for resolutions below 10 nm, it struggles to control size, morphology and composition of the structures, due to a lack…
Diffusion models represent a powerful family of generative models widely used for image and video generation. However, the time-consuming deployment, long inference time, and requirements on large memory hinder their applications on…
In this work I present a technique of construction and fast evaluation of a family of cubic polynomials for analytic smoothing and graphical rendering of particles trajectories for flows in a generic geometry. The principal result of the…
Physics-based simulation is essential for developing and evaluating robot manipulation policies, particularly in scenarios involving deformable objects and complex contact interactions. However, existing simulators often struggle to balance…