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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Image Distinguishability Analysis Testing Through Principal Components and Its Application to Hot Spot Scale Invariance

Hot spots are spatial regions of intense energy localization that govern initiation of secondary high explosives. Studies that characterize or compare simulated hot spots are frequently either qualitatively descriptive or resort to quantitative distribution functions that neglect stochastic variations and spatial correlations—effects that are also neglected in common comparison tests like the Kolmogorov–Smirnov test. To this end, we develop an image distinguishability analysis (IDA) test based on principal component (PC) analysis that makes pixel-by-pixel comparisons between small, for example, O(<10), image data sets. The IDA test makes comparisons through a generalized distance metric in the PC space and a test statistic that is derived to calculate mathematical equation-values. Here, we derive a statistical distribution and criticality criterion to determine whether images are distinguishable from established baselines. We apply the IDA test on images generated from molecular dynamics simulations of hot spots from pore collapse in TATB to assess scale invariance in the complex patterns of hot spots that form in a representative high explosive crystal. The IDA test shows that TATB hot spot spatial temperature fields and their derived temperature histograms exhibit scale-invariant features over specific intervals of shock orientation, strength, and initial pore diameter. However, the IDA test also shows that qualitatively different conclusions regarding invariance can be reached depending on whether the hot spot is treated as a spatially correlated field as opposed to a distribution function that lacks spatial information.

organic↗
DOE OSTI2026

A novel conditional formulation of the Vlasov–Ampère equations: a conservative, positivity, asymptotic and Gauss law preserving scheme

We propose a novel reformulation of the Vlasov–Ampère equations for plasmas that reveals discrete symmetries that enables simultaneous conservation of mass, momentum and energy; preservation of Gauss’s law; positivity of the distribution function; and consistency with quasi-neutral asymptotics. The approach employs variable and coordinate transformations to yield a coupled system comprising a modified Vlasov equation and associated moment–field equations. The modified Vlasov equation advances a conditional distribution function that excludes mass, momentum and energy densities, which are instead evolved through moment equations enforcing the relevant symmetries, conservation laws and involution constraints. This reformulation aligns naturally with a recent slow-manifold reduction technique, which separates fast electron time scales and simplifies the treatment of the quasi-neutral limit within the reduced moment–field subsystem. Using this framework, we develop a numerical method for the reduced 1D1V subsystem that, for the first time in the literature, satisfies all key physical constraints while maintaining a quasi-neutral asymptotic behaviour. The advantages of the method are demonstrated on canonical electrostatic test problems, including the multiscale ion acoustic shock wave.

1D1V↗
DOE OSTI2026

Calculating shock Hugoniot and isentropes using multiphase equation of state tables and application to shock and release of diamond ablators in inertial confinement fusion implosions

Advances in shock and ramp compression techniques now allow experimental access to unprecedented extreme conditions of pressure and temperature, providing a means to test theoretical models. Here, we describe a simple methodology to compute multi-phase shock Hugoniot and isentropes using multiphase equation of state tables. We treat explicitly the phase coexistence along the phase boundary to reveal the evolution of the sample as it undergoes the phase transformation in adiabatic conditions. We illustrate the method by calculating the predicted shock and shock-and-release behavior of diamond at conditions relevant for the initial stage of inertial confinement fusion implosions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

RaDIATE Collaboration Thermal shock studies

As next-generation accelerator target facilities (High Energy Physics, Spallation Sources, ... ) become increasingly more powerful and intense, high power target systems face key technical challenges, such as radiation damage and thermal shock. Those ultimately degrade the performance and lifetime of targets and have been identified as the leading cross-cutting challenges of high-power target facilities. In order to operate reliable beam-intercepting devices in the framework of energy and intensity increase for next generation accelerators, the RaDIATE Collaboration (Radiation Damage In Accelerator Target Environment), established in 2012 and managed by Fermilab, brings together existing expertise in nuclear material and accelerator targets from 20 international institutions, including CERN, to execute a coordinated strategy for high power targetry R&D. In this context, several thermal shock studies were performed at CERN's HiRadMat (High-Radiation to Materials) facility, that took a key step towards improving our knowledge on target damage tolerance. The first experiment HRMT-24, supported by EURCARD2 and completed in 2015, successfully validated the Johnson-Cook strength model developed at SwRI on beryllium S200FH (used for beam window material), providing a better confidence in simulating the thermal shock response of current and future S200FH beryllium components. HRMT-43, supported by ARIES and completed in 2018, tested various materials (Be, C, SiC, Si, Ti and ceramic nanofiber). It was a first and unique test which included pre-irradiated specimens from high energy proton beam irradiation to identify thermal shock response differences between non-irradiated and previously irradiated materials. Real-time measurement of dynamic thermomechanical response of graphite helped to benchmark numerical simulations.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Generalizing the compressible pairwise interaction extended point-particle model

Ejecta physics plays an important role in material interfaces that are impacted by a strong shock wave. When a shock impacts a rough surface of solid material and melts it, the Richtmyer–Meshkov instability grows perturbations on the surface, which can eject particles. After release, the ejecta travel through the post-shock compressible flow. To accurately simulate a large number of ejecta particles, an Euler–Lagrange approach is preferred, which requires modeling the subgrid-scale physics involved with fluid–particle interactions. We generalize the previous work from Hsiao et al. (2023) to consider systems of moving particles subject to any loading shock. The following improvements were made: (1) Particles are allowed to move relative to each other (2) Non-planar shocks are accounted for along with allowing for variable shock speeds. As a result, the generalized algorithm was tested with particle-resolved simulations for canonical test cases. The results of these tests are discussed and analyzed.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Electrical conductivities of (Mg,Fe)O at extreme pressures and implications for planetary magma oceans

During planet formation, planets undergo many impacts that can generate magma oceans. When these crystallize, part of the magma densifies via iron enrichment and migrates to the core–mantle boundary, forming an iron-rich basal magma ocean (BMO). The BMO could generate a dynamo in early Earth and super-Earths if the electrical conductivity of the BMO, which is thought to be sensitive to its Fe content, is sufficiently high. To test this hypothesis, here we conduct laser-driven shock experiments on ferropericlase (Mg x ,Fe 1−x )O (0.95 ≤ x ≤ 1) as an Fe-rich BMO analogue, perform density functional theory molecular dynamics simulations on MgO and calculate the long-term evolution of super-Earths. We find that the d.c. conductivities of MgO and (Mg,Fe)O are indistinguishable between 467 GPa and 1,400 GPa, despite previous predictions. Here, we predict that super-Earths larger than 3–6 Earth masses can produce BMO-driven dynamos that are almost one order of magnitude stronger than core-driven dynamos for several billion years.

Exoplanets↗
DOE OSTI2026

A Simulator for Neyer Tests of Explosives

Explosives and explosive devices such as detonators are typically tested by applying a range of stimuli such as voltage or mechanical shock, and recording binary “detonated/did not detonate” responses. These are analyzed using maximum likelihood or generalized linear models to provide estimates of quantities such as the all-fire and no-fire points. Given that the true threshold for detonation is unknown a priori , sequential design methods are typically used to optimize the set of test points. One popular method, implemented in commercial software, is Neyer’s algorithm. To support simulation and experimental design, we have developed code in the R programming language to duplicate the functions of the Neyer software. We provide code for the simulator along with a description and examples of usage.

42 ENGINEERING↗
DOE OSTI2026

A conservative discontinuous Galerkin algorithm for particle kinetics on smooth manifolds

A novel, conservative discontinuous Galerkin algorithm is presented for particle kinetics on manifolds. The motion of particles on the manifold is represented using both canonical and non-canonical Hamiltonian formulations. Our schemes apply to both formulations, but the canonical formulation results in a particularly efficient scheme that also conserves particle density and energy exactly. The collisionless update is coupled to a Bhatnagar-Gross-Krook (BGK) collision operator that provides a simplified model for relaxation to local thermodynamic equilibrium. An iterative scheme is constructed to ensure collisional invariants (density, momentum and energy) are preserved numerically. Rotation of the manifold is incorporated by modifying the Hamiltonian while ensuring a canonical formulation. Several test problems, including a kinetic version of the classical Sod shock problem, Kelvin-Helmholtz instability on the surfaces of a sphere and a hyperboloid, with and without rotations, are presented. A prospectus for further development of this approach to simulation of kinetic theory in general relativity is presented.

Discontinuous Galerkin↗
DOE OSTI2025

AUTOIGNITION DELAY TIMES FOR REFORMATE GAS MIXTURES FROM METHANE GAS ENGINES

Methane slip is a prominent issue in natural gas reciprocating engines that are used in transportation and marine applications. The incomplete combustion that results in methane slip can be resolved with the introduction of hydrogen within the combustion mixture to improve methane oxidation and further enable combustion within the engine crevices where methane has previously remained unreacted. Steam methane reforming (SMR) is a common method used to produce hydrogen and can be used to design an onboard device to reduce methane slip from reciprocating engines. The development of this reformer device requires the validation of high-fidelity chemical kinetic models at the low temperatures of the crevice volumes of these engines. In this work, auto-ignition data is obtained using a shock tube at lean (φ—0.714 or λ—1.4) and stoichiometric (φ, λ = 1) equivalence ratios spanning a temperature range of 1042–1234 K at the 80-bar operating pressure of the test engine. Blends of methane, hydrogen, and reformate products from the SMR reaction are shock-heated in synthetic air, with the ignition delay time measured using an OH* chemiluminescence detector at 310 nm and a CH* detector at 430 nm. The experimental results are compared to several state-of-the-art chemical kinetic mechanisms from the literature. In general, most of the mechanisms show very good agreement with experiments at higher temperatures, with simulation results showing little deviation from experiments at lower temperatures. A sensitivity analysis was conducted, and the results reveal that the reaction H2 + CH3O2 = H + CH3O2H has a very significant role in determining low-temperature ignition delay times (IDTs) of SMR mixtures. These findings provide valuable insights into the chemical kinetics governing methane reformate combustion and contribute to the optimization of onboard reformer designs aimed at mitigating methane slip in natural gas-fueled engines.

Fraze, Matthew↗
DOE OSTI2025

Development, Verification, and Validation of an OpenFOAM-Based Solver for Modeling Inertial Fusion Energy Chambers

Our work seeks to introduce a computational tool tailored to the physics of inertial fusion energy chambers, in particular, those concepts based on thick liquid walls. In this approach, the structural materials are protected by several neutron mean-free-paths of renewable liquid and thus will be able to survive much longer than un-shielded walls, with virtually all structures lasting for the life of the plant and enabling the use of commercially available and qualified materials. The OpenFOAM-based solver named rhoCentralFoam has been used as a starting point. rhoCentralFoam belongs to the standard OpenFOAM solver toolset. It is a high-speed, explicit compressible flow solver with shock-capturing capability. While the main features have been retained, the solver had to be restructured to make use of tabular data for equations of states, a necessary addition to model the complex thermo-physical properties of ionized gasses. This entailed the need to change the independent state variables used by the solver, resulting in a new thermodynamic library and slightly different solution algorithm. Moreover, a radiation heat transfer model based on the P-1 approximation was added to the solver. The solver is verified against an analytical solution from the Sedov-Taylor-Neumann test problem to showcase the ability of the hydrodynamic solvers to handle strong shocks, whereas the P-1 model was verified using a simple one-dimensional problem with an analytical solution. Additionally, a validation case involving shock-wave propagation through jet array is presented, and the results are compared with experimental data from the open literature. Lastly, in order to showcase the utility of the solver for practical cases, we applied the refined solver to two representative scenarios: gas venting within the HYLIFE-II chamber and the compression of the gas following the partial ablation of the liquid wall.

Chamber dynamics↗
DOE OSTI2024

Metals strengthen with increasing temperature at extreme strain rates

The strength of materials depends on the rate at which they are tested, as defects, for example dislocations, that move in response to applied strains have intrinsic kinetic limitations. As the deformation strain rate increases, more strengthening mechanisms become active and increase the strength. However, the regime in which this transition happens has been difficult to access with traditional micromechanical strength measurements. Here, with microballistic impact testing at strain rates greater than 10 6 s −1 , and without shock conflation, we show that the strength of copper increases by about 30% for a 157 °C increase in temperature, an effect also observed in pure titanium and gold. This effect is counterintuitive, as almost all materials soften when heated under normal conditions. This anomalous thermal strengthening across several pure metals is the result of a change in the controlling deformation mechanism from thermally activated strengthening to ballistic transport of dislocations, which experience drag through phonon interactions. These results point to a pathway to better model and predict materials properties under various extreme strain rate conditions, from high-speed manufacturing operations to hypersonic transport.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Laser Measurements and Modeling of Shock Tunnel Freestream Velocity and Multispecies Thermal Nonequilibrium

Coherent anti-Stokes Raman scattering (CARS) and nitric oxide molecular tagging velocimetry (NO-MTV) were used to characterize the freestream in Sandia’s Hypersonic Shock Tunnel (HST) using a burst-mode laser operated at 100 kHz. Experiments were performed at nominal freestream velocities of 3 and 4 km/s using both air and N 2 test gas. The CARS diagnostic provides nonequilibrium characterization of the flow by measuring vibrational and rotational temperatures of N 2 and O 2 , which are compared to NO temperatures from separate laser absorption experiments. Simultaneous, collinear freestream velocities were measured using NO MTV along with pitot pressure measurements. Furthermore, this extensive freestream dataset is compared to nonequilibrium CFD that is capable of modeling species-specific, vibrational temperatures throughout the nozzle expansion. Significant nonequilibrium between vibrational and rotational temperatures was measured at each flow condition. N 2 exhibits the most nonequilibrium, followed by O 2 and NO. The CFD model captures this trend, although it consistently overpredicts N 2 and O 2 vibrational temperatures. At 3 km/s, the modeled NO nonequilibrium is underpredicted, whereas it is overpredicted at 4 km/s. Good agreement is seen between CFD and the velocity and rotational temperature measurements. Experiments with water added to the test gas yielded no discernable difference in vibrational relaxation.

Aerodynamics↗
DOE OSTI2025

Optimization of an Impedance-Matched Test Fixture with the Modal Projection Error

Across many industries and engineering disciplines, components and systems are designed and deployed into their operational environment of intended use. It is the desire of the design agency to be able to predict whether their component or system will function in its shock and vibration environments or if it will fail due to mechanical stresses. One method to determine if the component will survive the shock and vibration environments is to expose the component to the operational environment in a laboratory. One difficulty in executing a representative laboratory test is that the component may not have the same boundary condition in the laboratory as in the operational configuration. This paper examines the use of parameterized optimization to design the test fixture in order to better match the operational configuration. Several frequency and modal-based objective functions are examined for the optimization. The study shows that the Modal Projection Error objective function performs the best of the functions studied. The efficacy of the Modal Projection Error is demonstrated with respect to dynamic test fixture design on several analytical and experimental exemplars.

dynamic↗
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

HRMT-60- RaDIATE Material Studies

HRMT-60 experiment was performed at the CERN-HiRadMat facility in October 2022 to understand thermal shock response of conventional materials and novel materials to support the design and operation of future multi-MW accelerator beam windows and secondary particle-production targets. This experiment, organized within the framework of the RaDIATE collaboration, builds on the previous HRMT-43 (BeGrid2) experiment, where a variety of materials in both non-irradiated and previously proton-irradiated conditions were tested. The primary goal was to understand the failure mechanisms, limits and flow behavior of the various material specimens, as well as compare and contrast the thermal shock response of previously irradiated materials to their non-irradiated counterparts. A total of 120 samples were tested at different beam conditions. This poster will present the preliminary results of several materials tested during this experiments.

Ammigan, K.↗
DOE OSTI2026

The high explosives & affected targets (HEAT) dataset

Artificial Intelligence (AI) surrogate models offer a computationally efficient alternative to full-physics simulations, yet no existing datasets are publicly available for training, testing, and validation of machine learning models of the dynamics of high-explosive driven shocks through multiple materials. Shock propagation through materials is a computationally challenging problem because simulations must include material-specific equations of state (EOS) along with descriptions of other physical processes such as plastic deformation, phase change, damage processes, fluid instabilities, and multi-material interactions. Shocks are typically initiated by high-velocity impacts or explosive loading. The latter case necessitates the addition of models of reactive materials to represent high-explosive (HE) detonation. Here, to address the lack of an expansive dataset for multi-material shock propagation in the AI/ML community, we present the High-Explosives and Affected Targets (HEAT) Dataset. HEAT is a physics-rich collection of two-dimensional, cylindrically symmetric, simulations generated using an Eulerian, multi-material, shock-propagation code developed at Los Alamos National Laboratory. The dataset includes two partitions: (1) the expanding shock-cylinder (CYL) simulations, Figs. 1, and (2) the Perturbed Layered Interface (PLI) simulations, Fig. 2. Entries in both partitions consist of time series of arrays of thermodynamic fields (pressure, density, and temperature), kinematic fields (position and velocity), and additional fields that depend on thermodynamic and/or kinematic fields (e.g., material stress). Materials in the CYL partition include solids (aluminium, copper, depleted uranium, stainless steel, tantalum, and a generic polymer), a liquid (water), gases (air, nitrogen), and a generic detonating material (high explosive, HE). The PLI partition spans a highly varying geometry but consists of fixed materials across entries: Copper, aluminium, stainless steel, generic polymer, and generic HE. HEAT captures critical phenomena such as momentum transfer, shock propagation, plastic deformation, and thermal effects, making HEAT a valuable benchmark for development of AI/ML emulation of multi-material shock propagation.

36 MATERIALS SCIENCE↗
DOE OSTI2025

DME-Propane Blends Ignition Experiments and Modeling for Heavy-Duty Mixing Controlled Compression Engines

A blend of dimethyl ether (DME) and propane (C3H8) is being studied in a shock tube at heavy-duty engine conditions at 110 bar. Due to its intrinsic combustion properties, DME/propane blend can potentially replace diesel in mixing controlled compression ignition engines. A blend of DME/propane can reduce emissions in mixing controlled compression ignition in heavy-duty engines through modifications, which require simulations using a high-fidelity chemical kinetics model that can accurately predict the chemistry of the blend. An essential aspect of testing the chemical kinetics model is doing baseline fundamental chemistry studies on neat DME and propane, which include ignition delay time measurements. In this work, using a high-pressure shock tube, ignition delay times were gathered for DME/Propane blends at 110 bar diluted with AR to test chemical kinetic models published in the literature. These models include Aramco 3.0, NUIG V1.1, C3mech V3.3, and Dames et al. Comparisons with the experimental IDTs and models were conducted, and general agreement was observed. A sensitivity analysis was conducted, and important reactions were outlined.

Mohammed, Zuhayr Pasha [University of Central Flor↗