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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Numerical Investigation of Fluid Flow and Space Charge in Liquid Argon Time Projection Chamber (LArTPC) Detectors

Overview This project focused on developing a high-fidelity numerical framework to simulate the multiphysics environment within Liquid Argon Time Projection Chamber (LArTPC) detectors. The primary objective was to characterize the complex interplay between ion transport, background fluid dynamics, and electric field distortions—a critical factor for the calibration and sensitivity of next-generation High Energy Physics experiments, such as DUNE. Technical Achievements The research successfully yielded a hybrid numerical space-charge solver utilizing a Cell-Centered Finite Volume Method (FVM) for ion transport coupled with a Finite Element Method (FEM) for electric potential. Key accomplishments include: • Verification & Validation: The 3-D solver was rigorously verified against 1-D analytical solutions, demonstrating high numerical accuracy in predicting space-charge-induced field deviations. • Field Distortion Analysis: 3D simulations revealed that space charge effects introduce significant non-uniformities in the electric field. Critically, the research identified that background LAr flow velocities, when comparable to ion drift velocities, markedly exacerbate these distortions. • Technology Transfer: The resulting source code and comprehensive user manuals were successfully transferred to collaborators at Fermilab, providing a portable computational tool for the broader scientific community. Challenges and Future Directions While the space-charge solver achieved all performance metrics, the integrated fluid dynamics modeling encountered convergence challenges stemming from the extreme 200-fold disparity in length scales between the detector's 37 mm inlet pipes and the 8-meter global domain. To address this, the project has identified a clear technical pivot toward Hierarchical Geometric Adaptive Mesh Refinement (HG-AMR). By implementing an h-type refinement strategy with hanging nodes, future iterations of this solver will be capable of resolving localized high-gradient inlet flows without the prohibitive computational costs of regular grids. This advancement, combined with data-driven uncertainty quantification based on MicroBooNE-style calibration, will enable the precise modeling of detector responses in large-scale cryogenic environments where direct measurement remains difficult. Impact The computational tools developed under this award provide a foundation for enhancing the energy resolution and spatial reconstruction of noble liquid detectors. By bridging the gap between theoretical fluid dynamics and experimental field calibration, this work supports the DOE’s mission to advance the frontiers of neutrino physics and dark matter detection.

42 ENGINEERING↗
DOE OSTI1969

Application of Nuclear Technology to Art Identification Problems: First Annual Report

Throughout the centuries, as man has become increasingly affluent, his interest in antiquities and objects of art, and the price he has been willing to pay for them, has increased. Inevitably, one result has been to attract the unscrupulous to the production and sale of counterfeit paintings, sculptures, and other works of art. The skill of forgers varies but often is highly sophisticated. However, dealers, museum curators, and other experts have also become more skillful in the detection of forgeries. Scientific tools of increasing sensitivity and sophistication have gradually been applied to the examination of the materials of art and archaeology. Such tools frequently support and render more reliable the judgment of the experts. The quality of forgeries may improve further as their makers become acquainted with the new methods of detection and in turn learn to circumvent or confound the methods. Therefore, the development of still more advanced methods of examination has great utility in the art world. This is particularly true if the ultimate effect is to make circumvention of the methods of examination so costly that the economic incentives for producing forgeries may be substantially reduced, if not eliminated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Phonon screening and dissociation of excitons at finite temperatures from first principles

The properties of excitons, or correlated electron–hole pairs, are of paramount importance to optoelectronic applications of materials. A central component of exciton physics is the electron–hole interaction, which is commonly treated as screened solely by electrons within a material. However, nuclear motion can screen this Coulomb interaction as well, with several recent studies developing model approaches for approximating the phonon screening of excitonic properties. While these model approaches tend to improve agreement with experiment, they rely on several approximations that restrict their applicability to a wide range of materials, and thus far they have neglected the effect of finite temperatures. Here, we develop a fully first-principles, parameter-free approach to compute the temperature-dependent effects of phonon screening within the ab initio GW -Bethe–Salpeter equation framework. We recover previously proposed models of phonon screening as well-defined limits of our general framework, and discuss their validity by comparing them against our first-principles results. We develop an efficient computational workflow and apply it to a diverse set of semiconductors, specifically AlN, CdS, GaN, MgO, and SrTiO 3 . We demonstrate under different physical scenarios how excitons may be screened by multiple polar optical or acoustic phonons, how their binding energies can exhibit strong temperature dependence, and the ultrafast timescales on which they dissociate into free electron–hole pairs.

Science & Technology - Other Topics↗
NASA NTRSDate not supplied

Boundary Layer Analysis of Shock Tube Flows

Shock tubes offer a controlled environment to reproduce kinetic and radiative phenomena characteristic of atmospheric entry flows under ground-test conditions. The boundary layer developing behind the incident shock wave determines the available test time, influences particle residence times important for similarity scaling, and can affect radiative energy transport. In this study, we couple a quasi-1D space marcher with the compressible boundary-layer equations to numerically compute the post-shock flow in a shock frame of reference for various test gas mixtures representative of different planetary atmospheres. The solvers are individually verified against CFD simulations and analytical correlations available in the literature. Coupled solutions are computed for a finite-rate chemistry in the boundary layer and a non-catalytic isothermal wall. Results yield refined estimates of the maximum separation distance, as well as insights into concentration profiles of relevant species within the boundary layer.

Andrea Fagnani↗
NASA NTRS2014

Analytical Model for Steady Flow through a Finite Channel with One Porous Wall with Arbitrary Variable Suction or Injection

This paper presents an exact solution of two-dimensional laminar flow through a finite length channel with one porous wall. It improves upon previous solutions by (1) satisfying the no-slip boundary condition at the channel dead end, (2) adding a turbulent term to the porous wall boundary condition, (3) allowing for arbitrary variable suction or injection across the porous wall, and (4) model validation against new cryogenic liquid hydrogen and oxygen experimental data. Of particular interest in the current work is the modeling of cryogenic propellant flow through a porous liquid acquisition device (LAD) screen and channel inside a propellant tank. First, a detailed review of the literature is presented for previously attempted solutions to channel flow with one porous wall. Next, the governing equations, boundary conditions, and model assumptions are used to derive the analytical flow solution and present general model results for pressure and velocity fields within the channel. Then, the model solution is compared with horizontal LAD channel flow data in liquid oxygen as well as vertical LAD channel flow data in an inverted outflow configuration in liquid hydrogen. Model results are used to update the static cryogenic bubble point pressure model with a dynamic bubble point term which factors in enhanced convection and cooling at the screen during propellant outflow. Convective heat transfer at the LAD screen during outflow is also quantified by comparing model and data. The new analytical flow solution with the dynamic bubble point model is shown to compare well with available cryogenic experimental data

Navier Stokes Equations↗
DOE OSTI2026

X-ray tomography of damage dynamics in advanced materials using a laser wakefield accelerator

Additively manufactured (AM) metals offer the potential for customizable, cost-effective components, but qualification and certification are crucial. Key to this process is understanding pore dynamics under stress, typically analyzed using micro-computed tomography. This study introduces laboratory-scale “betatron” x-rays from laser wakefield acceleration as a high-throughput alternative for x-ray tomography of advanced materials, such as AM AlSi10Mg alloys. Coupled with 3D finite element modeling, this method provides detailed insights into stress-porosity interactions. The approach delivers high-resolution scans, revealing that pore shape and local triaxiality significantly influence fracture dynamics, supporting advanced material characterization. This work also demonstrates the potential and versatility of laser-betatron x-ray μCT for generating large datasets to accelerate our understanding of the stochastic, process-specific nature of pore formation in AM alloys.

Senthilkumaran, Vigneshvar↗
DOE OSTI2025

Three-dimensional nucleation and growth of deformation twins in magnesium

At two-thirds the weight of aluminum, magnesium alloys have the potential to reduce the fuel consumption of transportation vehicles. These advancements depend on our ability to optimize the desirable versus undesirable effects of deformation twins, which are three-dimensional (3D) microstructural domains that form under mechanical stresses. Previously only characterized through surface or thin-film measurements, we here present 3D in situ characterization of deformation twinning inside an embedded grain over mesoscopic fields of view using dark-field x-ray microscopy supported by crystal plasticity finite element analysis. The results revealed the role of triple junctions on twin nucleation and the sequence and irregularity of twin growth and showed that twin-grain junctions, twin-twin junctions, and twin boundaries were the sites of localized dislocation accumulation.

Lee, Sangwon [Univ. of Michigan, Ann Arbor, MI (Un↗
DOE OSTI2026

Analysis of an irradiated uranium sample for source attribution without chemical separation using microplasma ionization and ultrahigh resolution mass spectrometry

The use of element isotope ratios has great potential in not only determining the reactor type used to produce plutonium (Pu) but also in determining the burnup and the time since irradiation. While a powerful nuclear forensic technique, determining element isotope ratios is complicated by severe isobaric interferences when performed on typical inductively coupled plasma mass spectrometers. Such analyses require extensive chemical separations prior to analysis to alleviate the inter-elemental isobars. Ultrahigh mass resolution spectrometry provides a potential alternative, greatly reducing the complexity of sample preparation and turnaround times for these critical measurements. To demonstrate the power of the approach, a sample of irradiated, depleted uranium was analyzed with the liquid sampling—atmospheric pressure glow discharge ion source coupled to an Orbitrap mass spectrometer. The Orbitrap is augmented with an external data acquisition system, Spectroswiss’s FTMS-Booster X2T, allowing collection of extended ion transients, providing higher mass resolution. In using this approach, the 150 Sm/ 149 Sm and 152 Sm/ 149 Sm isotope ratios were found to be within 20% of predicted values without any chemical separations and without mass bias corrections. In addition, the 240 Pu/ 239 Pu isotope ratio was determined, free from the 238 UH + interferences common to the ICP-MS platforms, while at the same time allowing for the determination of U isotopic signatures. While these demonstrative results are from a single sample, the advantages of the microplasma/ultrahigh mass resolution approach to intra-element isotope ratio determinations are clear.

Fuel burnup↗
NASA NTRS2026

A Summary of Test and Analysis Results from a Second Lift+Cruise Full-Scale Drop Test

The realization of advanced air mobility markets is enabling new forms of transportation to take shape in the United States and around the world. Though currently in development, as these markets mature, new types of vertical take-off and landing (VTOL) vehicles have been undergoing development for use. There are many factors which must be addressed prior to these types of vehicles becoming viable alternative forms of transportation in these markets. These factors include incorporation into the existing airspaces, the logistics of operating in urban environments, along with numerous factors associated with safety and reliability. To address some of the safety aspects associated with the development of these new types of vehicles, NASA has been conducting research into the performance of an example electric VTOL (eVTOL) aircraft as a part of the Revolutionary Vertical Lift Technology (RVLT) project. Over the course of this research, many aspects including the development of energy absorbing components, the evaluation of seating systems, the development of advanced finite element material model systems and the acquisition of full-scale vehicle impact data were investigated. The report will discuss aspects related to the acquisition of full-scale vehicle data which occurred in the form of a full-scale impact test conducted in the Summer of 2025. This test was on a NASA designed Lift+Cruise composite cabin test article and represented a partial capstone in the entirety of previous eVTOL research conducted for the project. In this test, a variety of experiments were included in order to investigate the effect of a full-scale environment on the experiment results. In parallel, the development of a computational impact model to simulate the full-scale test will be discussed in this report. A model of the Lift+Cruise test article was developed utilizing data collected from previous sub- and full-scale test data and then simulated in the current test environment. The model development, its use in pre-test predictions, and its use in post-test correlation will all be presented. This report will present the test data acquired from the Lift+Cruise test and document several of the results obtained. One intended result is to determine the effect of a complex full-scale crash impact on the identification of occupant injury risk within seat and vehicle designs. A second intended result is to determine whether high-fidelity models can be used with some confidence in the prediction of test events and can allow for additional test cases to be simulated without the need of having to conduct additional tests. The overall goal of the test is to provide the community with data that can be used for design, development or certification efforts, along with providing data on what an example eVTOL crash incident could entail.

energy storage systems↗
NASA NTRS1995

Transitional Flow in Thin Tubes for Space Station Freedom Radiator

A two dimensional finite volume method is used to predict the film coefficients in the transitional flow region (laminar or turbulent) for the radiator panel tubes. The code used to perform this analysis is CAST (Computer Aided Simulation of Turbulent Flows). The information gathered from this code is then used to augment a Sinda85 model that predicts overall performance of the radiator. A final comparison is drawn between the results generated with a Sinda85 model using the Sinda85 provided transition region heat transfer correlations and the Sinda85 model using the CAST generated data.

Patrick Loney↗
NASA NTRS1993

Micromechanics of crenulated fibers in carbon/carbon composites

The influence of crenulated noncircular fibers on the micromechanical stress states due to a transverse strain and to a temperature change in carbon/carbon composites is examined using the finite element method. Stresses at the interface of both fully bonded and fully disbonded fibers having two crenulation amplitudes and with two fiber volume fractions are presented. In each case, these interface stresses are compared to stresses at the interface of circular fibers which have the same degree of disbond and fiber volume fraction and are under the same loading conditions. For the disbonded cases, deformed meshes showing locations of fiber/matrix contact are also included. In addition to the interface stress states, selected composite properties are also computed and compared in each case examined. Interest in studying noncircular fibers stems from a desire to increase the transverse properties of carbon/carbon by introducing a mechanical interlocking between the fiber and the matrix. Results presented here indicate that this interlocking does in fact occur. Evidence from the interface stress data suggests, however, that any possible advantage of this interlocking may be outweighed by the disadvantage of stress concentrations which arise at the interface due to the crenulated geometry of the fibers.

E. E. Carapella↗
DOE OSTI2025

Grain boundary segregation and chemical ordering in CoCrFeMnNi multi-principal element alloy

Owing to their far-from-dilute compositions, multi-principal element alloys (MPEAs) can exhibit unique combinations of engineering properties. As nearly all MPEAs are polycrystalline aggregates, it is necessary to understand the interactions of various elemental species with grain boundaries (GBs). This is of particular importance in extreme environments, such as radiation and elevated temperatures, where such interactions have implications on the properties of MPEAs. Herein, we employ atomistic simulations to generate a series of [001] asymmetric tilt GBs in a model CoCrFeMnNi MPEA and quantify solute interactions and segregation to these boundaries. We employ the Warren-Cowley order parameters to investigate the interplay between GB segregation and chemical short-range order (SRO). At temperatures above 800 K, simulation results reveal the segregation of Cr and Mn to CoCrFeMnNi GBs and show weak dependence of boundary solute excess on GB geometry, at least for the boundaries explored in this work. At temperatures in the range of 673–800 K, formation of domains rich in Cr is observed at GBs in agreement with experimental observations. Quantitative analysis shows that solute excess of various alloying elements decreases rapidly with the increase in temperature in the range of 1000–1200 K. Furthermore, we show that GB regions exhibit SRO characteristics that are distinct from the bulk crystals, leading to spatial variations in SRO. In broad terms, our study highlights the need to account for GB interactions with alloying elements when designing advanced MPEAs with novel chemistries.

Wang, Yitao [Lehigh University, Bethlehem, PA (Uni↗
DOE OSTI2023

Predicting microstructurally sensitive fatigue‐crack path in WE43 magnesium using high‐fidelity numerical modeling and three‐dimensional experimental characterization

Abstract Microstructurally small fatigue‐crack growth in polycrystalline materials is highly three‐dimensional due to sensitivity to local microstructural features (e.g., grains). One requirement for modeling microstructurally sensitive crack propagation is establishing the criteria that govern crack evolution, including crack deflection. Here, a high‐fidelity finite‐element modeling framework is used to assess the performance and validity of various crack‐growth criteria, including slip‐based metrics (e.g., fatigue‐indicator parameters), as potential criteria for predicting three‐dimensional crack paths in polycrystalline materials. The modeling framework represents cracks as geometrically explicit discontinuities and involves voxel‐based remeshing, mesh‐gradation control, and a crystal‐plasticity constitutive model. The predictions are compared to experimental measurements of WE43 magnesium samples subject to fatigue loading, for which three‐dimensional grain structures and fatigue‐crack surfaces were measured post‐mortem using near‐field high‐energy x‐ray diffraction microscopy and x‐ray computed tomography. Findings from this work are expected to improve the predictive capabilities of simulations involving microstructurally small fatigue‐crack growth in polycrystalline materials.

Engineering↗
NASA NTRS2026

Gateway Element and Payload Materials Outgassing Analyses: HALO, HERMES, and ERSA

Gateway was intended to be humanity’s first space station around the Moon, but its development has been paused as the National Aeronautics and Space Administration (NASA) shifts focus to achieving the United States’ National Space Policy goals. Instead of an orbiting lunar outpost, NASA will now pursue the development of a lunar surface base to support a sustained human presence on the Moon. Before the program’s pause, Gateway’s Induced Environments team worked to ensure payloads and elements (i.e., modules) complied with induced environment requirements. Methods developed and insights gained from this work will have applicability to NASA’s Moon Base and the potential repurposing of Gateway elements and payloads, as well as to induced environments modeling for future space stations. The Gateway program’s induced environment included molecular contamination, electric thruster plume sputter and redeposition, and lunar dust transfer from the Human Landing System (HLS). Primary sources of external molecular contamination included materials outgassing, chemical thruster plume contamination, and vacuum venting. The focus of this paper will be on element- and payload-level materials outgassing analyses performed for Gateway Configuration 1, extending the previously-developed framework for Gateway system-level external molecular contamination modeling. Gateway Configuration 1 consisted of the Power and Propulsion Element (PPE) and the Habitation and Logistics Outpost (HALO). It also included payloads like the European Radiation Sensor Array (ERSA) attached to PPE and the Heliophysics Environmental and Radiation Measurement Experiment Suite (HERMES) attached to HALO. The element- and payload-level analyses to be introduced in this paper for HALO, HERMES, and ERSA enabled high-fidelity descriptions of Gateway’s external molecular contamination environment. Approaches to geometric modeling, meshing, outgassing rate assignment, molecular transport modeling, and analysis methodology will be presented. Element and payload contaminant deposition onto sensitive Gateway receiver surfaces will be summarized and results compared to induced environment requirements. While these results incorporate refinements made over the course of the program, they were not intended to be final. Therefore, modeling assumptions and inputs, potential improvements, and lessons-learned will be documented to inform future work on Moon Base, repurposed elements and payloads, and other space stations.

Gateway↗
NASA NTRSDate not supplied

The Use of Immersion Rigs for High Temperature Hydrogen Exposure Testing within the Nuclear Thermal Rocket Element Environmental Simulator (NTREES): Thermal Soak Rig (TSR)

The Nuclear Thermal Rocket Element Environmental Simulator (NTREES) facility was purpose constructed to perform non-nuclear evaluations of nuclear thermal propulsion (NTP) system fuel materials and structures within prototypic thermochemical environments. This system has been utilized steadily in its ability to subject test specimens to thermochemical and thermohydraulic environments simulating that of an operating nuclear rocket engine. Fission heat is simulated by induction power and experiments are conducted within a ~1000 psi pressure vessel. Hydrogen is conventionally passed through the heated fuel surrogate test specimen while pressure, temperature, and gas species data are collected at various points along the experiment. In order to test fuel and material coupon samples, a class of test apparatus named “immersion rigs” are being developed and employed to more rapidly test these smaller and more technically challenging test specimen. One example of a promising potential fuel structure, Tristructural-isotropic (TRISO) particles, presents unique challenges for testing of this type. TRISO fuel micro-particles are spheroids typically on the order of 500 – 1000 μm in diameter, and exposing a batch sample to hot hydrogen requires purpose-built special test equipment. Thusly, an immersion rig was developed and successfully demonstrated to expose ~1 g of micro-particles to hydrogen gas at temperatures and pressures relevant to NTP systems for the purpose of fuel evaluation. The rig, comprised primarily of graphite and pure tungsten, houses in its core a batch of micro-particles between pucks of porous silicon carbide (SiC). This approach permits gas flow while simultaneously retaining the particles in place. Herein is a discussion of the design, analysis, fabrication, and testing of the NTREES Thermal Soak Rig (TSR).

Space Nuclear Propulsion↗
NASA NTRS2026

A Missed Thrust Framework for Low-Thrust Spiral Trajectories to the NRHO

A framework is developed by which end-to-end optimization of many-revolution low-thrust spiral trajectories can be completed in the presence of missed thrust events. This framework is applied to the Lunar Transit trajectory by which the initial capability of NASA’s Gateway lunar space station will be delivered to a Near Rectilinear Halo Orbit. This low-thrust mission consists of three subphases, each designed according to the specific objectives and dynamical regimes encountered as the mission progresses from a medium Earth insertion orbit to cislunar space. The presented framework accounts for the unique considerations demanded by each mission phase and incorporates appropriate capabilities into a novel mission analysis tool. This methodology enables large scale and reliable analyses of missed thrust events across the end-to-end Lunar Transit to verify the robustness of flight trajectories across the full range of considered launch dates.

missed thrust↗
DOE OSTI2026

Systematic Construction of Time-Dependent Hamiltonians for Microwave-Driven Josephson Circuits

Time-dependent electromagnetic drives are fundamental for controlling complex quantum systems, including superconducting Josephson circuits. In these devices, accurate time-dependent Hamiltonian models are imperative for predicting their dynamics and designing high-fidelity quantum operations. Existing numerical methods, such as black-box quantization (BBQ) and energy-participation ratio (EPR), excel at modeling the static Hamiltonians of Josephson circuits. However, these techniques do not fully capture the behavior of driven circuits stimulated by external microwave drives, nor do they include a generalized approach to account for the inevitable noise and dissipation that enter through microwave ports. Here, we introduce numerical techniques that leverage classical microwave simulations, efficiently executable in finite-element solvers, to obtain the time-dependent Hamiltonian of microwave-driven superconducting circuits with arbitrary geometries under charge, flux, or mixed electromagnetic modulation. Importantly, our techniques do not rely on a lumped-element description of the superconducting circuit, in contrast to previous approaches to tackling this problem. We demonstrate the versatility of our approach by characterizing the driven properties of realistic circuit devices in complex electromagnetic environments, including coherent dynamics due to charge and flux modulation, as well as drive-induced relaxation and dephasing. Our techniques offer a powerful toolbox for optimizing circuit designs and advancing practical applications in superconducting quantum computing.

Lu, Yao [Yale U.; Yale U. (main); Fermilab] (ORCID↗
NASA NTRSDate not supplied

Thermostructural Testing of PICA-D for NASA Planetary Science Missions

Phenolic Impregnated Carbon Ablator–Domestic (PICA‑D) has been selected as the heatshield thermal protection system (TPS) material for two upcoming NASA planetary science missions: the Dragonfly mission to Titan and the Mars Sample Retrieval Lander (SRL). Early testing revealed differences between PICA‑D and heritage PICA, particularly in in‑plane (IP) tensile stiffness and thermal expansion. Thermostructural analyses using Finite Element Method (FEM) tools subsequently predicted the potential for IP compressive failure in the near‑surface layers of PICA‑D under both Dragonfly and SRL flight environments. Over the past three years, the Dragonfly and SRL teams have carried out an extensive thermostructural qualification campaign to address these concerns and validate PICA‑D for flight. This effort began with a comprehensive mechanical property characterization program at Kratos test laboratories, which significantly improved understanding of PICA‑D mechanical behavior and increased the fidelity of FEM predictions. The teams also conducted six large‑scale test entries at the National Solar Thermal Test Facility (NSTTF) solar tower, exposing PICA‑D articles—including gap fillers and representative design features or flaws—to combined thermal and mechanical loads. The talk will summarize key findings from these mechanical and thermostructural test campaigns and present the current status of PICA‑D qualification for NASA’s planetary science missions.

TPS↗