Related papers: JAX-BTE: A GPU-Accelerated Differentiable Solver f…
Phonon Boltzmann transport equation (BTE) is an important tool for studying the nanoscale thermal transport. Because phonons have a large spread in their properties, the non-gray (i.e. considering different phonon bands) phonon BTE is…
Population balance equation (PBE) models have potential to automate many engineering processes with far-reaching implications. In the pharmaceutical sector, crystallization model-based design can contribute to shortening excessive drug…
Engineering structures are increasingly designed using numerical optimisation. However, traditional optimisation methods can be challenging with multiple objectives and many parameters. In machine learning, stable training of artificial…
Designing materials with controlled heat flow at the nano-scale is central to advances in microelectronics, thermoelectrics, and energy-conversion technologies. At these scales, phonon transport follows the Boltzmann Transport Equation…
Tensor network techniques, known for their low-rank approximation ability that breaks the curse of dimensionality, are emerging as a foundation of new mathematical methods for ultra-fast numerical solutions of high-dimensional Partial…
Understanding shock-solid interactions remains a central challenge in compressiblefluiddynamics. WepresentJAX-Shock: afully-differentiable,GPU-accelerated, high-order shock-capturing solver for efficient simulation of the compressible…
First-principles calculations of thermal transport in homogeneous materials have reached remarkable predicting power. Modeling deterministically phonon transport in nanostructures, however, poses novel challenges; notably, it entails…
Modal methods for simulating vibrations of strings, membranes, and plates are widely used in acoustics and physically informed audio synthesis. However, traditional implementations, particularly for non-linear models like the von K\'arm\'an…
We present JAX-PF, an open-source, GPU-accelerated, and differentiable Phase Field (PF) software package, supporting both explicit and implicit time stepping schemes. Leveraging the modern computing architecture JAX, JAX-PF achieves high…
We present an algorithm for solving the one-dimensional space collisional Boltzmann transport equation (BTE) for electrons in low-temperature plasmas (LTPs). Modeling LTPs is useful in many applications, including advanced manufacturing,…
Numerical prediction of multiscale heat transfer is a challenging problem due to the wide range of time and length scales involved. In this work a discrete unified gas kinetic scheme (DUGKS) is developed for heat transfer in materials with…
Differentiable programming has emerged as a powerful paradigm in scientific computing, enabling automatic differentiation through simulation pipelines and naturally supporting both forward and inverse modeling. We present JAX-MPM, a…
We present a fast, differentiable, GPU-accelerated optimization method for ray path tracing in environments containing planar reflectors and straight diffraction edges. Based on Fermat's principle, our approach reformulates the path-finding…
Developing simplified, but accurate, theoretical approaches to treat heat transport on all length and time scales is needed to further enable scientific insight and technology innovation. Using a simplified form of the Boltzmann transport…
MCBTE solves the linearized Boltzmann transport equation for phonons in three dimensions using a variance-reduced Monte Carlo solution approach. The algorithm is suited for both transient and steady-state analysis of thermal transport in…
almaBTE is a software package that solves the space- and time-dependent Boltzmann transport equation for phonons, using only ab-initio calculated quantities as inputs. The program can predictively tackle phonon transport in bulk crystals…
Differentiable numerical simulations of physical systems have gained rising attention in the past few years with the development of automatic differentiation tools. This paper presents JAX-SSO, a differentiable finite element analysis…
Starting from the recently proposed energy-based deviational formulation for solving the Boltzmann equation [J.-P. Peraud and N. G. Hadjiconstantinou, Phys. Rev. B 84, 2011], which provides significant computational speedup compared to…
In this work an optimized multicomponent lattice Boltzmann (LB) model is deployed to simulate axisymmetric turbulent jets of a fluid evolving in a quiescent, immiscible environment over a wide range of dynamic regimes. The implementation of…
Turbulent flows and fluid-structure interactions (FSI) are ubiquitous in scientific and engineering applications, but their accurate and efficient simulation remains a major challenge due to strong nonlinearities, multiscale interactions,…