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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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470 records · Page 10

Surface phase diagrams from nested sampling

From nested sampling, we compute the partition function and, from that, the phase diagram of gas adsorbates, including their anharmonic and configurational degrees of freedom, on flat and stepped surfaces of the Lennard-Jones solid.

Chemistry

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

Numerical Investigation of Heat Transfer and Fluid Flow within Electrochemical Hydrogen Peroxide Generation Unit

Long-term manned space missions require the onboard production of disinfectants essential for maintaining crew health and supporting life systems. Currently, disinfection aboard the International Space Station (ISS) relies on disposable wetted wipes, which are regularly resupplied from Earth. This approach imposes a significant burden on resupply logistics, storage, and waste management. To address these challenges and support future missions, efforts are underway to develop an in-situ solution that electrochemically generates hydrogen peroxide disinfectant using onboard resources. In collaboration with NASA, Faraday Technology, Inc. has advanced this concept through a series of Small Business Innovation Research (SBIR) projects, resulting in the development of a Peroxide Generation Unit (PGU). The PGU can produce up to 3 wt.% hydrogen peroxide on-demand at a rate of 1 liter per day, providing a sustainable alternative to Earth-dependent supplies. The resulting aqueous hydrogen peroxide (H₂O₂) is an effective disinfectant, safe for crew use, compatible with spacecraft systems, and free from volatiles, off-gassing, or residues. This innovation offers a reliable, efficient solution for onboard disinfection, reducing dependence on Earth-based resupply while ensuring the health and safety of space crews. Generating hydrogen peroxide at the required rate needs high voltages and currents, exceeding 20V and 2A respectively, which leads to significant heat generation from Joule heating. This temperature rise poses a risk to sensitive system components, especially critical and expensive membranes that can degrade under thermal stress. To mitigate this risk, the thermal, fluid, and electrical flows within the system are modeled computationally using the commercial software COMSOL. The numerical simulations are validated against experimental data from both sub-scale and alpha-scale systems. Once verified, the model is employed to identify thermal hotspots, investigate their underlying causes, and explore solutions to prevent them.

Life Support Systems (LSS)

An Improved Theoretical Ni-Cd Battery Performance Model

Previous reports have shown how a battery model was developed using porous electrode theory. Since then the model has been upgraded and expanded. These upgrades include oxygen reation and positive electrode intercalation and proton diffusion. The effects of additional details of the solid state physics of the nickel electrode will be reported here.

battery

Spike-Nosed Bodies and Forward Injected Jets in Supersonic Flow

The paper contains new numerical simulation and experimental test results of blunt body drag reduction using thin spikes mounted in front of a body and one- or two-phase jets injected against a supersonic flow. Numerical simulations utilizing the NASA CFL3D code were conducted at the Hampton University Fluid Mechanics and Acoustics Laboratory (FM&AL) and experimental tests were conducted using the facilities of the IM/MSU Aeromechanics and Gas Dynamics Laboratory. Previous results were presented at the 37 t h AIAA/ASME/SAE/ASEE Joint Propulsion Conference. Those results were based on some experimental and numerical simulation tests for supersonic flow around spike-nosed or shell-nosed bodies, and numerical simulations were conducted only for a single spike-nosed or shell-nosed body at zero attack angle, alpha=0 o . In this paper, experimental test results of gas, liquid and solid particle jet injection against a supersonic flow are presented. In addition, numerical simulation results for supersonic flow around a multiple spike-nosed body with non-zero attack angles and with a gas and solid particle forward jet injection are included. Aerodynamic coefficients: drag, C D , lift, C L , and longitudinal momentum, M z , obtained by numerical simulation and experimental tests are compared and show good agreement.

M Gilinsky

Spike-Nosed Bodies and Forward Injected Jets in Supersonic Flow

The paper contains new numerical simulation and experimental test results of blunt body drag reduction using thin spikes mounted in front of a body and one- or two-phase jets injected against a supersonic flow. Numerical simulations utilizing the NASA CFL3D code were conducted at the Hampton University Fluid Mechanics and Acoustics Laboratory (FM&AL) and experimental tests were conducted using the facilities of the IM/MSU Aeromechanics and Gas Dynamics Laboratory. Previous results were presented at the 37th AIAA/ASME/SAE/ASEE Joint Propulsion Conference. Those results were based on some experimental and numerical simulation tests for supersonic flow around spike-nosed or shell-nosed bodies, and numerical simulations were conducted only for a single spike-nosed or shell-nosed body at zero attack angle, alpha = 0 degrees. In this paper, experimental test results of gas, liquid and solid particle jet injection against a supersonic flow are presented. In addition, numerical simulation results for supersonic flow around a multiple spike-nosed body with non-zero attack angles and with a gas and solid particle forward jet injection are included. Aerodynamic coefficients: drag, C (sub D), lift, C(sub L), and longitudinal momentum, M(sub z), obtained by numerical simulation and experimental tests are compared and show good agreement.

M Gilinsky

Sierra/SD Verification Test Manual 5.32

Tests from the Sierra Structural Dynamics verification test suite are reviewed. For each of the tests presented in this document the test setup, derivation of the analytic solution, and comparison of the Sierra code results to the analytic solution is provided. This document can be used to confirm that a given code capability is verified or referenced as a compilation of example problems.

Beale, Dagny Marie [Sandia National Laboratories (

NASA's Innovative Entry Systems and TPS Technologies Enabling Commercial Space Missions

For over six decades, the NASA Ames Entry Systems and Technology Division has been a cornerstone of U.S. space exploration, delivering critical atmospheric entry solutions since Project Mercury and now increasingly supporting the commercial space sector. The Division provides reliable entry system solutions through a unique blend of expertise, national facilities, and systems integration knowledge, a combination that is difficult to replicate outside a dedicated government entity. Consistently successful, the TS Division remains central to NASA’s exploration objectives and significantly contributes to the transfer of technology to the commercial space sector, supporting more than ten commercial space companies and supplying flight heatshields to three of them in the past five years. Its strengths in Thermal Protection System (TPS) materials, aerothermodynamics, ground test facilities, and Entry, Descent, and Landing (EDL) systems engineering drive rapid development and sustained U.S. competitiveness in space. The Division's expertise in reusable and ablative thermal protection systems, as well as mechanically deployable entry systems primarily developed for NASA missions, now benefits commercial space missions. This presentation will highlight the vision and needs of these commercial space companies, how NASA-invented technologies meet mission requirements, and how these technologies enable and distinguish their efforts.

Ethiraj Venkatapathy

Off‑World Additive Manufacturing - Augmenting NASA‑STD‑6030

This slide presents a summary for a soon to be released white paper on augmenting NASA-STD-6030 for off-world manufacturing. It examines the driving need for in-space manufacturing and its corresponding risks, challenges, potential solutions, and technology development needed to qualify a process.

NASA-STD-6030

Shakeup and shakeoff spectra in the electron capture decay of atomic 7 Be

The most stringent laboratory-based experimental limits on the existence of submegaelectronvolt sterile neutrinos are currently set by decay spectroscopy of radioactive 7 Be embedded into superconducting sensors. The systematic uncertainties are dominated by the modeling of the electron shakeup and shakeoff spectra that are not based on state-of-the-art atomic theory and do not include electron correlations or relativistic effects. We have used the multiconfiguration Dirac-Fock formalism to obtain correlated wave functions ab initio and compute all single and double shake processes in the electron capture decay of atomic 7 Be . The simulations can explain some but not all of the observed spectral features, likely because the wave functions are modified by the Ta sensor material that the 7 Be is embedded into. The new models also show that the 𝐿/𝐾 electron capture ratio of 7 Be in Ta has previously been slightly underestimated revising the previous value of 0.070(7) to a new value of 0.0756(20).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS

Advanced Liquid Propulsion Systems

The Advanced Liquid Propulsion Systems program is investigating selected problems generated by spacecraft operational requirements for propulsion systems capable of high inherent reliability, long-term storage in the space environment, multiple start in free fall (zero gravity), and engine throttling. The solutions proposed to satisfy these requirements are coordinated for practical application in a system.

PROPULSION SYSTEM

Strong anharmonicity dictates ultralow thermal conductivities of type-I clathrates

Type-I clathrate solids have attracted significant interest due to their ultralow thermal conductivities and sub- sequent promise for thermoelectric applications, yet the mechanisms underlying these properties are not well understood. Here, we extend the framework of vibrational dynamical mean-field theory (VDMFT) to calculate temperature-dependent thermal transport properties of solids using a many-body Green’s function approach. When applied to a coarse-grained description of 𝑋 8 Ga 16 Ge 30 , where 𝑋= Ba, Sr, we find that nonresonant scattering between cage acoustic modes and rattling modes leads to a reduction of acoustic phonon lifetimes and thus thermal conductivities. Moreover, we find that the moderate temperature dependence of conductivities above 300 K, which is consistent with experimental measurements, cannot be reproduced by textbook perturbation theory calculations, which predict a 𝑇 −1 dependence. Therefore, we suggest that nonperturbative anharmonic effects, including four- and higher-phonon scattering processes, are responsible for the ultralow thermal conductivities of type-I clathrates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Investigation of Lunar-Inspired Geopolymer Concrete Formulations Mixed and Cured in Microgravity on the International Space Station (ISS)

The research outlined in this presentation investigates the use of various lunar regolith simulants in geopolymer lunar concrete mixes mixed and cured on the International Space Station (ISS). The motivation for this work is to study the effects of gravity on the microstructure of alkali-activated materials cured with heat, and to develop materials for the construction of long-term infrastructure on the lunar surface with in-situ resource utilization (ISRU). ISRU for construction materials reduces the cost and mass of payloads related to lunar construction. The advantage of geopolymer concrete as opposed to traditional portland cement concrete is that water acts as a medium for the polymerization reaction and leaves the system throughout the process, reducing its demand. Twelve samples of lunar regolith simulant and a solution composed of sodium hydroxide and sodium silicate were sent to the ISS. The three simulants were OPRH2N, OPRL2N, and JSC-1AF, using only particles less than 53 µm in diameter to increase reactivity of the simulant. Simulant to solution ratios were determined by workability while mixing. The simulant and solution were sealed Burst Pouches® along with 2 other sealed bags to prevent material from leaking. Crew member F-14 conducted testing on the ISS by introducing the solution to the simulant in the Burst Pouch®, mixing the sample with a spatula, and then clamping the specimen in the fresh state to prevent flow inside the Burst Pouch®. These specimens were then put in a thermos heated to 80C via sealed drinking water bags to cure for 24 hours with a temperature logger. The cured specimens remained in microgravity for at least 28 days and were returned from the ISS in February 2025. The specimens were then brought to the NASA Marshall Space Flight Center (MSFC) to analyze. Material characterization consisted of conducting Micro-CT tests of entire samples in their sealed apparatus to a resolution of 25µm. 2D image slices were saved in each orthogonal direction of each specimen at a 0.03 mm step size from the 3D model to conduct analytical porosity calculations. Representative samples from each specimen were sampled to perform helium gas pycnometery and were then mounted in resin for SEM imaging, EDS, and nanoindentation. Porosity was analyzed analytically using micromechanics modelling with the assistance of the NASA Multiscale Analysis Tool (NASMAT), as well as the NASA Advanced Supercomputing (NAS) servers (V. Saseendran & N. Yamamoto, 2024). Density was measured using helium gas pycnometery and was then compared to the theoretical density for experimental porosity calculation. Due to the samples’ non-uniform shape being cured in a pouch, traditional compression and tensile strength testing could not be performed. Nanoindentation was conducted at Clarkson University to determine the microhardness and reduced modulus of elasticity. Results from flight samples can be compared to ground samples currently in DLR’s possession to determine the effect on microstructure from being mixed and cured in microgravity. This study gives further insight and understanding of geopolymer lunar concrete and its viability as a lunar construction material with ISRU.

Adam Johnson

Innovations Driven by Advanced Characterization to Strategize Critical Mineral Production and Beneficial Reuse from Fossil Energy Waste

Critical minerals (CM), such as rare earth elements (REE), cobalt, nickel, and lithium, have important uses in modern electronics and advanced manufacturing, yet are vulnerable to potential supply chain disruptions. Relatively abundant and readily available fossil energy (FE) wastes, such as coal combustion ash, acid mine drainage (AMD) and treatment solids (AMD solids), and Oil and Gas (O&G) drilling wastes (drill cuttings and produced waters) are under consideration as CM feedstocks. The National Energy Technology Laboratory (NETL) has studied CM resources for various FE wastes as part of the U.S. Department of Energy’s mission of bolstering the domestic CM supply, and makes the data available to the public on EDX at sites such as the NEWTS group. Advanced characterization utilizing synchrotron x-ray techniques coupled with laboratory extractions has been performed to identify CM hosting phases in these FE wastes to inform CM recoverability mechanisms. Novel methods to selectively recover CMs while co-producing other valuable byproducts have been developed. Successful examples discussed here include: (1) The identification of REE/Co/Ni/Sc binding and hosting phases in select FE waste (coal combustion ash and AMD solids), resulting in the development of a patented CM step-extraction process, (2) coupled production of functional sorbents from these extraction wastes and for CM recovery. A pilot-scale testing to evaluate the patent’s technical feasibility for extracting REE from coal ash on a barrel scale has been successfully performed. Additionally, (3) evaluation and measurements of brine geochemistry from U.S. O&G produced waters has informed a high Li recovery potential from Marcellus Shale produced water. NETL researchers have been developing tailored pre-treatment processes, an innovative and highly durable lithium sorbent, and geochemical model guided precipitation to accelerate Li production from the Marcellus Shale produced waters. These innovations driven by characterization are integral for maximizing and advancing the potential for CM recovery while offsetting the cost and environmental footprint for FE waste management.

critical mineral processing

Conformational Isomerization of Imide Anions Governs Solvation and Transport in Water-in-Salt Electrolytes

The behavior of highly concentrated electrolytes departs radically from the dilute-solution theory, yet the molecular origin of this transformation remains unresolved. Here, we identify the conformational isomerization of molecular ions as a decisive, previously unrecognized control parameter governing structure and transport in crowded aqueous electrolytes. Across a series of fluorosulfonimide anions, we show that increasing concentration drives a collective shift from extended transoid to compact cisoid conformers, revealed by small-angle X-ray scattering, vibrational spectroscopy, pulsed-field gradient NMR, and molecular dynamics simulations. This conformational transition triggers a collapse of the hydrogen-bonded water network and the emergence of densely packed ionic domains with confined water, producing a qualitative change in Li+ transport from solvent-mediated diffusion to network-confined hopping. Anion size and asymmetry systematically tune the onset of this transition, demonstrating that molecular geometry dictates mesoscale organization and dynamics in the ion-rich regime. Our results establish ion conformation, not merely composition or coordination, as a fundamental thermodynamic variable in concentrated solutions, providing a chemical framework that unifies solvation structure and transport in water-in-salt electrolytes and suggesting new principles for designing dense ionic media.

Nguyen, Huong TD