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DOE OSTI2025

Enhancing 2D hydrodynamic flood models through machine learning and urban drainage integration

Two-dimensional hydrodynamic flood models are commonly employed for simulating flood extent and inundation depth. However, the influence of urban drainage network (UDN) is frequently overlooked in these models, potentially compromising their accuracy. Furthermore, the expensive computational costs and longer processing times make them challenging for large-scale hydrodynamic simulation. To address these challenges, this paper develops a machine learning (ML)-driven emulator for an open-source flood model, the Two-dimensional Runoff Inundation Toolkit for Operational Needs (TRITON). A TRITON-ML Emulator (TR-Emulator) that utilizes Convolutional Long Short-Term Memory is developed to capture the spatiotemporal features of flood events based on the outputs from TRITON. We further enhance the emulator by integrating UDN parameters (TR-UDN), such as the flow capacity of drainage pipes, pipe size, and pipe length, via an ML stacking technique to improve the water surface elevation (WSE) simulation. Hurricane Harvey 2017 in Houston, TX is used as the case study. We compare WSE results from TRITON, TR-Emulator, TR-UDN, and the United States Geological Survey (USGS) observations to evaluate the performance of these models. The results indicate that the TR-Emulator effectively replicates the WSE simulated by TRITON. Additionally, TR-UDN performs well in capturing WSE patterns and peak flows, aligning more closely with USGS observations, except in areas with milder slopes where conveyance discrepancies are observed. We further test the generalizability of our ML-based models using another smaller event. This paper shows that the TR-Emulator is effective for users and engineers to emulate a 2D hydrodynamic model, and the enhanced version of the TR-Emulator, TR-UDN, can be an efficient tool for predicting WSEs during urban flooding.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

HARD: A performance portable radiation hydrodynamics code based on FleCSI framework

Hydrodynamics And Radiation Diffusion (HARD) is an open-source application for high-performance simulations of compressible hydrodynamics with radiation-diffusion coupling. Built on the FleCSI (Bergen et al., 2021 [1]) (Flexible Computational Science Infrastructure) framework, HARD expresses its computational units as tasks whose execution can be orchestrated by multiple back-end runtimes, including Legion (Bauer et al., 2012 [2]), MPI (Forum, 1994 [3]), and HPX (Kaiser et al., 2020 [4]). Node-level parallelism is handled through Kokkos (Edwards et al., 2014 [5]), providing a single-source, portable code base that runs efficiently on laptops, small homogeneous clusters, and the largest heterogeneous supercomputers currently available. To ensure scientific reliability, HARD includes a regression test suite that automatically reproduces canonical verification problems such as the Sod and LeBlanc shock tubes, and the Sedov blast wave, comparing numerical solutions against known analytical results. The project is distributed under an OSI-approved license, hosted on GitHub, and accompanied by reproducible build scripts and continuous integration workflows. This combination of performance portability, verification infrastructure, and community-focused development makes HARD a sustainable platform for advancing radiation hydrodynamics research across multiple domains.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Dissipative Dark Substructure: The Consequences of Atomic Dark Matter on Milky Way Analog Subhalos

Using cosmological hydrodynamical zoom-in simulations, we explore the properties of subhalos in Milky Way analogs that contain a subcomponent of atomic dark matter (ADM). ADM differs from cold dark matter (CDM) due to the presence of self-interactions that lead to energy dissipation, analogous to standard model baryons. This model can arise in dark sectors that are natural and theoretically motivated extensions to the standard model. The simulations used in this work were carried out using GIZMO and utilize the FIRE-2 galaxy formation physics in the standard model baryonic sector. For the parameter points we consider, the ADM gas cools efficiently, allowing it to collapse to the center of subhalos. This increases a subhalo's central density and affects its orbit, with more subhalos surviving small pericentric passages. The subset of subhalos that host satellite galaxies have cuspier density profiles and smaller stellar half-mass radii relative to CDM. The entire population of dwarf galaxies produced in the ADM simulations is more compact than those seen in CDM simulations, unable to reproduce the entire diversity of observed dwarf galaxy structures. Additionally, we also identify a population of highly compact subhalos that consist nearly entirely of ADM and form in the central region of the host, where they can leave distinctive imprints in the baryonic disk. This work presents the first detailed exploration of subhalo properties in a strongly dissipative dark matter scenario, providing intuition for how other regions of ADM parameter space, as well as other dark sector models, would impact galactic-scale observables.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Aggressively Dissipative Dark Dwarfs: The Effects of Atomic Dark Matter on the Inner Densities of Isolated Dwarf Galaxies

We present the first suite of cosmological hydrodynamical zoom-in simulations of isolated dwarf galaxies for a dark sector that consists of cold dark matter and a strongly dissipative subcomponent. The simulations are implemented in GIZMO and include standard baryons following the FIRE-2 galaxy formation physics model. The dissipative dark matter is modeled as atomic dark matter (aDM), which forms a dark hydrogen gas that cools in direct analogy to the Standard Model. Our suite includes seven different simulations of ∼10 10 M ⊙ systems that vary over the aDM microphysics and the dwarf’s evolutionary history. We identify a region of aDM parameter space where the cooling rate is aggressive and the resulting halo density profile is universal. In this regime, the aDM gas cools rapidly at high redshifts, and only a small fraction survives in the form of a central dark gas disk; the majority collapses centrally into collisionless dark “clumps,” which are clusters of subresolution dark compact objects. These dark clumps rapidly equilibrate in the inner galaxy, resulting in an approximately isothermal distribution that can be modeled with a simple fitting function. Even when only a small fraction (∼5%) of the total dark matter is strongly dissipative, the central densities of classical dwarf galaxies can be enhanced by over an order of magnitude, providing a sharp prediction for observations.

cold dark matter↗

DOE OSTI2025

Laser-driven flash x-ray radiography of a shocked metallic foil

Characterizing hydrodynamic instability evolution in millimeter-scale, high-Z foils is crucial for understanding complex phenomena in high-energy-density physics. Here, we demonstrate a proof-of-concept, laser-driven flash x-ray radiography platform tailored for two-dimensional linear density mapping in shocked high-Z foils. Using chromium (Cr) foils with internal shockwaves (∼100 μm width), our platform achieves a spatial resolution of 59.8 ± 1.4 μm by employing a broadband x-ray source extending into the hundreds of keV range. The setup combines a compound parabolic concentrator cone with a tantalum wire target, a magnetic field to deflect residual transmitted electrons, and a copper casing to shield the sides and rear of the image plate pack. By varying the delay of the short-pulse beam driving the flash x-ray source, we resolve shockwave dynamics, specifically the velocity, position, width, and density profile, within the Cr foil. Reported experimental results are consistent with the corresponding hydrodynamics and radiation transport simulations, which accurately reproduce the measured electron and x-ray source terms. These developments enable the conversion of shockwave radiographs into two-dimensional density maps, enhancing interpretability for hydrodynamic instability evolution applications and validating the simulation approach.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Hourglass control in staggered-grid hydrodynamics using virtual element stabilization techniques

Numerical simulations using the staggered-grid hydrodynamics (SGH) discretization suffer from hourglass instabilities. In this work, we develop a stabilization method to suppress the hourglass instabilities using techniques from the virtual element method (VEM). The stiffness matrix of the VEM consists of two terms: the consistency matrix which is rank deficient and the stability matrix. Here, we first show that in two dimensions and on general polygons, the stiffness matrix of the SGH is identical to the consistency matrix of the linear VEM for both the diffusion equation and the linear elasticity equation. These analyses explain the origin of the hourglass instabilities of the SGH discretization method, and establish a theoretical foundation for our proposed stabilization method by augmenting the stiffness matrix of the SGH discretization using the VEM stability matrix. Then, we present numerical examples using Lagrangian SGH simulations. The numerical experiments demonstrate that the proposed VEM stabilization method is effective at eliminating hourglass modes in the SGH discretization.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

A lumped particle direct simulation Monte-Carlo method combined with the collisional-radiative model for simulations of non-equilibrium laser-induced plasma plumes

Collisional plasma plumes induced by laser irradiation of material targets exhibit large variations in local density as well as ionization and excitation states, making purely hydrodynamic or kinetic simulations inaccurate or infeasible. To address this challenge and capture non-equilibrium effects in laser-induced plasma plumes at arbitrary degrees of ionization, we develop a hybrid computational approach that combines the kinetic direct simulation Monte Carlo (DSMC) method with a collisional-radiative model (CRM). This ℓDSMC-CRM approach utilizes a lumped particle method to represent minor fractions of excited ions in particle-based simulations and a special coarse-graining technique for atomic spectra and photoionization rates, ensuring numerical convergence at reduced computational cost. The hybrid approach is applied to simulate spatially homogeneous relaxation as well as one- and two-dimensional expansions of plasma plumes induced by irradiation of a copper target by a nanosecond laser pulse in a vacuum or background gas. The comparison with an equilibrium model, where local Saha-Boltzmann equilibrium is enforced, shows that the non-equilibrium effects play a dominant role. The equilibrium model can fail to predict the flow structure and strongly underestimate the degree of absorption of laser radiation by the plume. The ℓDSMC-CRM approach is validated against experimental data demonstrating reasonable agreement with the experimental electron density and temperature, while the equilibrium model is found to dramatically underestimate electron density and temperature. The flexibility of the ℓDSMC-CRM approach allows for its seamless integration into existing DSMC frameworks, making it a valuable tool for high-fidelity plasma modeling in laser-material interactions, laser-based manufacturing, and beyond.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

Signatures of QCD conductivities in heavy-ion collisions

Dissipative processes are pivotal for understanding the hydrodynamic evolution of hot and dense quantum chromodynamics (QCD) matter created in relativistic nuclear collisions. The interplay of multiple conserved charges—net baryon, strangeness, and electric charge—is of particular interest. Here, we simulate the longitudinal hydrodynamic evolution with the three diffusion currents in a hydrodynamic model with a lattice-QCD-based equation of state, NEOS -4 D , and estimate rapidity distributions including diffusive corrections to the phase-space distribution in the presence of multiple charges, which ensure charge conservation at particlization. We determine the response of particle yields at midrapidity to changes in the diagonal and off-diagonal conductivities. Inversely, we find that most components of the conductivity matrix can be constrained experimentally using identified particle multiplicities at different collision energies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Multiphase computational fluid dynamics modeling of reacting flows in absorption columns for carbon capture

First-principles derived computational fluid dynamics (CFD) simulations have been proposed as a fundamental tool for investigating solvent-based CO 2 absorption in packed columns due to their ability to accurately represent the underlying nonlinear, multiscale dynamics. Numerous studies have previously utilized such CFD simulations to investigate hydrodynamics of columns with structured and random packings by assessing the key hydrodynamic metrics such as the interfacial and wetted areas. While mapping such metrics for different conditions is essential to the optimization of absorption columns, it is not sufficient, as the CO 2 capture rate depends also on the coupled, nonlinear dynamics from the underlying chemical reaction kinetics, thermodynamics, and heat-transfer rates. In this work, we present detailed CFD simulation results augmented by incorporating the effects of interfacial physical mass transfer of CO 2 , heat release from chemical reaction kinetics, and thermophysical property variations from resulting temperature gradients. We demonstrate the applicability of the proposed approach in numerically assessing the performance of packed columns by evaluating key hydrodynamic quantities, CO 2 absorption rates, and temperature rise in a reference column with packings that are structurally similar to the Sulzer Mellapak™ 250.Y packing, for different solvent inflow velocities and temperatures. Predictions from simulation results are found to be consistent with the trends in experimental observations from the literature, suggesting that the predictive capabilities of the simulation framework can be leveraged to guide the future development of absorber-column designs and optimized process flowsheets.

Absorption columns↗

DOE OSTI2025

Exploring Flood Predictability in Taiwan through Coupled Atmospheric–Hydrological and High-Performance Hydrodynamic Models

Effective flood simulation capabilities can tremendously support early warning and disaster prevention. To examine the applicability of a fully physics-based and high-performance flood simulation and forecasting modeling framework for a flood-prone region in Taiwan, we conduct a numerical experiment that couples the Weather Research and Forecasting (WRF) Model, WRF-Hydrological modeling system (WRF-Hydro), and the Two-Dimensional Runoff Inundation Toolkit for Operational Needs (TRITON) to perform integrated rainfall, streamflow, and flood simulations. Furthermore, we first use the coupled WRF and WRF-Hydro (WWH) to predict rainfall and streamflow and then drive TRITON with the predicted streamflow hydrographs to simulate flood depth and inundation area. With the refined spatial resolution and parameterization, this framework can better predict rainfall with reasonable spatial patterns. Although WWH could overestimate the amount of rainfall in some areas, the uncertain rainfall–streamflow predictions produce reasonable flood maps able to pinpoint regions at risk of flooding. In terms of model efficiency, the graphics processing unit–based computation can yield a speed-up factor as high as ∼13 compared to the central processing unit–based computation, promoting the efficacy of the coupled modeling framework in practical real-time flood forecasting.

Coupled models↗

DOE OSTI2024

Performance of high-order Godunov-type methods in simulations of astrophysical low Mach number flows

High-order Godunov methods for gas dynamics have become a standard tool for simulating different classes of astrophysical flows. Their accuracy is mostly determined by the spatial interpolant used to reconstruct the pair of Riemann states at cell interfaces and by the Riemann solver that computes the interface fluxes. In most Godunov-type methods, these two steps can be treated independently, so that many different schemes can in principle be built from the same numerical framework. Because astrophysical simulations often test out the limits of what is feasible with the computational resources available, it is essential to find the scheme that produces the numerical solution with the desired accuracy at the lowest computational cost. However, establishing the best combination of numerical options in a Godunov-type method to be used for simulating a complex hydrodynamic problem is a nontrivial task. In fact, formally more accurate schemes do not always outperform simpler and more diffusive methods, especially if sharp gradients are present in the flow. For this work, we used our fully compressible Seven-League Hydro (SLH) code to test the accuracy of six reconstruction methods and three approximate Riemann solvers on two- and three-dimensional (2D and 3D) problems involving subsonic flows only. We considered Mach numbers in the range from 10 −3 to 10 −1 , which are characteristic of many stellar and geophysical flows. In particular, we considered a well-posed, 2D, Kelvin–Helmholtz instability problem and a 3D turbulent convection zone that excites internal gravity waves in an overlying stable layer. Although the different combinations of numerical methods converge to the same solution with increasing grid resolution for most of the quantities analyzed here, we find that (i) there is a spread of almost four orders of magnitude in computational cost per fixed accuracy between the methods tested in this study, with the most performant method being a combination of a low-dissipation Riemann solver and a sextic reconstruction scheme; (ii) the low-dissipation solver always outperforms conventional Riemann solvers on a fixed grid when the reconstruction scheme is kept the same; (iii) in simulations of turbulent flows, increasing the order of spatial reconstruction reduces the characteristic dissipation length scale achieved on a given grid even if the overall scheme is only second order accurate; (iv) reconstruction methods based on slope-limiting techniques tend to generate artificial, high-frequency acoustic waves during the evolution of the flow; and (v) unlimited reconstruction methods introduce oscillations in the thermal stratification near the convective boundary, where the entropy gradient is steep.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Simulation of Binary-single Interactions in AGN Disk. I. Gas-enhanced Binary Orbital Hardening

Stellar-mass binary black hole (BBH) mergers within the accretion disks of active galactic nuclei may contribute to gravitational wave (GW) events detected by ground-based GW detectors. In particular, the interaction between a BBH and a single stellar-mass black hole (sBH), known as the binary-single interaction (BSI) process, can potentially lead to GW events with detectable nonzero eccentricity. Previous studies of the BSI process, which neglected the effects of gas, showed that BSIs contribute non-negligibly to GW events in a coplanar disk environment. In this work, we conduct a series of two-dimensional hydrodynamical and N-body simulations to explore the BSI in a gas environment by coupling REBOUND with Athena++. We perform 360 simulation runs, spanning parameters in disk surface density Σ 0 and impact parameter b. We find that the gas-induced energy dissipation within the three-body system becomes significant if the encounter velocity between the sBHs is sufficiently large (≫c s ). Our simulation results indicate that approximately half of the end states of the BSI are changed by gas. Furthermore, at higher gas density, the number of close encounters during the BSI process will increase, and the end-state BBHs tend to be more compact. Consequently, the presence of gas may shorten the GW merger timescale for end-state BBHs and increase the three-body merger rate.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

The Effects of Material-Filled Voids on Detonation Wave Shape in Rubberized RDX Explosives

The sensitivity of explosives is affected by inhomogeneities within the material. This is evident in the increased shock sensitivity of explosives with slightly lower densities resulting from an increased number of hotspots. The influence of hotspots on explosive initiation has been well studied; however, few studies have been conducted on the effect of intermediate-sized voids (0.1–10 mm) on a propagating detonation wave. Cylindrical voids filled with air have been studied for diameters ranging from 0.3 mm to 0.8 mm for both 1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX) and 1,3,5-trinitro-1,3,5-triazinane (RDX)-based rubberized explosives. Continuing the investigation into single cylindrical voids, this study examined the effects of 0.5 mm diameter voids filled with different inert cylindrical metals on the detonation wave shape for an RDX-based rubberized explosive. The metals selected for experiments were 1066 aluminum, brass, copper, and tungsten. The propagation of the detonation wave was captured using a digital streak camera. Experimental results showed that the extent of detonation wave shaping was closely tied to the density differential between the bulk explosive and metal insert. Forty-four different filler materials, including non-metals, were simulated using a hydrodynamic code to further analyze material inclusion effects. The main factors hypothesized to be of interest were bulk sound speed, shock impedance, and filler material density. We found that the local detonation delay could be correlated fairly well to a ratio of bulk sound speed and density. Understanding the influence of material inclusions on detonation performance and wave shape allows for tailoring of detonations.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

DOE OSTI2026

Development of a coupled experimental–computational approach for engineering optimization of spout-fluidized bed particle coating systems

The design of spout-fluidized bed (SFB) coating systems for nuclear particle fuels typically relies on trial-and-error processes, comprising iterative and time-consuming coating deposition experiments and post-deposition characterization. At an engineering scale, this approach to guided SFB system design is inefficient, highlighting the need for streamlined experimental methodologies which can correlate fluidization conditions to downstream coating outcomes. In this study, we combine time-resolved particle image velocimetry (PIV) with CFD–DEM simulations to benchmark hydrodynamic behavior in a 3D spout-fluidized bed. By exploiting easily accessible optical measurements of particle motion at the bed wall and within the spouting region, we obtain quantitative velocity fields that can be directly compared with model predictions of the occluded bed region, without resorting to complex imaging and characterization techniques such as X-ray or magnetic resonance tomography. Experimental benchmarking reveals strong agreement between CFD–DEM and PIV in the spout and annulus regions, while discrepancies near the wall highlight areas for future model development. Here, the proposed integrated experimental–numerical framework will enable a direct connection between measured variables and numerically predicted fluidization performance of dense, surrogate nuclear particle fuel feedstock such that experimental SFB component design can be rapidly evaluated, informing design decisions for nozzle geometry and operating conditions. Future work will extend this framework by correlating quantified fluidization metrics across nozzle geometries and operating conditions with the resulting coating morphology, microstructure, and uniformity. Establishing these correlations will enable predictive links between hydrodynamic performance and coating quality, providing a rational, scalable basis for optimizing SFB design prior to coating deposition.

CFD/DEM↗

DOE OSTI2026

Violent mergers can explain the inflated state of some of the fastest stars in the Galaxy

A significant number of hypervelocity stars with velocities between 1500 − 2500 km s −1 have recently been observed. The only plausible explanation so far is that they were produced through thermonuclear supernovae in white dwarf binaries. Since these stars are thought to be surviving donors of Type Ia supernovae, a surprising finding was that these stars are inflated, with radii an order of magnitude higher than expected for Roche-lobe-filling donors. Recent attempts at explaining them have combined 3D hydrodynamical supernova explosion simulations with 1D stellar modelling to explain the impact of supernova shocks on runaway white dwarfs. However, only the hottest and most compact of those runaway stars can so far marginally be reproduced by detailed models of runaways from supernova explosions. In this and a companion paper, we introduce a new AREPO simulation of two massive CO white dwarfs that explode via a violent merger. During the merger, the primary white dwarf ignites when the secondary is on its last orbit and plunging towards the primary. In the corresponding aftermath, the core of the secondary white dwarf of 0.16 M ⊙ remains bound, moving at a velocity of ∼2800 km s −1 . We mapped this object into MESA and show that this runaway star can explain the observations of two hypervelocity stars that were dubbed D6-1 and D6-3 based on their original discovery motivated by the D6 scenario, though the violent merger scenario presented here is somewhat distinct from the D6 scenario.

Astronomy and AstroPhysics↗

DOE OSTI2025

athenapk

The LANL fork of the AthenaPK project, which contains curvlinear coordinates The Code is a set of modifications to AthenaPK, an existing open source 3D hydrodynamics and magnetohydrodynamics simulation software for astrophysics, which enable simulation with uniform curvilinear geometries. Specifically it extends the existing Cartesian coordinates to uniform spherical coordinate and uniform cylindrical coordinate systems

Miller, Jonah [@LANL]↗

DOE OSTI2024

Benchmarking of hydrodynamic plasma waveguides for multi-GeV laser-driven electron acceleration

Hydrodynamic plasma waveguides initiated by optical field ionization have recently become a key component of multi-GeV laser wakefield accelerators. Here, we present the most complete and accurate experimental and simulation-based characterization to date, applicable to current multi-GeV experiments and future 100 GeV-scale laser plasma accelerators. Crucial to the simulations is the correct modeling of intense Bessel beam interaction with meter-scale gas targets, the results of which are used as initial conditions for hydrodynamic simulations. The simulations are in good agreement with our experiments measuring evolving plasma and neutral hydrogen density profiles using two-color short pulse interferometry, enabling realistic determination of the guided mode structure for application to laser-driven plasma accelerator design. Published by the American Physical Society 2024

Physics↗

DOE OSTI2026

Thermodynamically consistent incorporation of the Langmuir adsorption model into compressible fluctuating hydrodynamics

For a gas–solid interfacial system where chemical species undergo reversible adsorption, we develop a mesoscopic stochastic modeling method that simulates both gas-phase hydrodynamics and surface coverage dynamics by coupling the Langmuir adsorption model with compressible fluctuating hydrodynamics. To this end, we derive a thermodynamically consistent mass–energy update scheme that accounts for how the mass and energy variables in the gas and surface subsystems should be updated according to the changes in the number of molecules of each species in each subsystem due to adsorption and desorption events. By performing a stochastic analysis for the ideal Langmuir model and the full hydrodynamic system, we analytically confirm that our mass–energy update scheme captures thermodynamic equilibrium predicted by equilibrium statistical mechanics. We find that an internal energy correction term is needed, which is attributed to the difference in the mean kinetic energy of gas molecules colliding with the surface from that computed from the Maxwell–Boltzmann distribution. By performing an equilibrium simulation study for an ideal gas mixture of CO and Ar, with CO undergoing reversible adsorption, we validate our overall simulation method and implementation.

Adsorption↗