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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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3,385 records · Page 60
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NASA NTRSDate not supplied

Comparison and Application of Battery Modeling Methods for Conceptual Electric Aircraft

Growing interest in design and optimization of electrified aircraft propulsion concepts prompts the need for accurate, flexible, and efficient methods to model battery systems. Presented in this paper are three battery modeling methods that have been used at NASA’s Glenn Research Center, each representing different mathematical or electrical approaches. Thévenin equivalent circuit, normalization, and curve-fitting methods are compared against battery cell test data for the X-57 Maxwell electric aircraft technology demonstrator. The methods are then applied in a simple multidisciplinary optimization context using NASA’s Six-Passenger Electric Quadrotor concept to determine their applicability and performance. The normalization method achieves the highest accuracy for steady and unsteady discharge rates with a voltage mean error percentage of 0.423% and 1.186%, respectively. Optimal quadrotor mission range between the models varies up to 0.5 nmi, identifying current battery modeling methods as a potentially significant contributor to mission analysis error. A set of relevant tools and techniques for conceptual battery modeling are identified in this paper, with conclusions made on the utility of each modeling approach for various design challenges.

power↗
DOE OSTI2025

Socio-Techno-Economic Feasibility of Deep Geothermal with EGS for Residential District Heating in the Northeastern United States

In this paper, we present socio-techno-economic simulation results for enhanced geothermal system (EGS) district heating systems in the northeastern United States. We applied the geospatial Distributed Geothermal Market Demand (dGeo) tool coupled with GEOPHIRES to evaluate the feasibility of geothermal deep direct-use, utilizing EGS reservoirs for providing residential heating with district heating systems. The results were combined with JEDI results to assess social impacts. Simulation results assuming doublet EGS reservoirs with target production temperature of 80 degrees C and newly constructed district heating systems indicate a wide range in system levelized cost of heat (LCOH) values ranging from ~$15/MMBtu to over $1,000/MMBtu, with most the attractive regions urban areas with high total thermal demand and high thermal demand density. We estimate about 60 GWth in potential installed capacity with LCOH values under $50/MMBtu and 100 GWth in potential capacity with LCOH values under $100/MMBtu, respectively.

15 GEOTHERMAL ENERGY↗
DOE OSTI2026

Process-level cost analysis of hybrid manufacturing pathways for aerospace structural components

Hybrid manufacturing is a promising route for producing complex aerospace components, yet systematic cost benchmarking across multiple additive-subtractive pathways remains limited. This study presents a comprehensive process-based cost analysis of seven hybrid manufacturing routes, including laser powder bed fusion (L-PBF), powder- and wire-directed energy deposition (DED), wire arc additive manufacturing (WAAM), additive friction stir deposition (AFSD), metal binder jetting (MBJ), and agility forging, followed by scanning and finish machining. Parametric cost models incorporating direct material, labor, and energy costs were developed. L-PBF results are discussed in detail for a pickle fork component and directly compared with commercial pricing. Across all hybrid routes, labor emerged as the dominant cost driver, contributing more than 70% of total manufacturing cost in some cases. AFSD exhibited the lowest cost for aluminum components, with MBJ being its 316 L stainless steel counterpart, after accounting for geometric scaling. Benchmarking against industrial quotes suggests that hybrid manufacturing can achieve cost levels comparable to those of commercial services, although labor-intensive processes exhibit greater deviation. The analysis highlights automation of material handling, setup, and supervision as key opportunities for improving economic competitiveness. Overall, the proposed framework provides a quantitative basis for evaluating and optimizing hybrid manufacturing pathways for aerospace applications.

Baruah, Sweta [ORNL] (ORCID:0009000174256207)↗
DOE OSTI2026

Classical-Quantum Algorithm for Solving Stochastic Programs

Stochastic programming provides a rigorous mathematical framework for making decisions under uncertainty in a risk-aware manner. Two-stage stochastic programming is, perhaps, the simplest form of this framework. Here the first-stage variables represent decisions that must be made "here and now" in the face of uncertainty, while the second-stage variables are decisions made after uncertain events. However, the broad adoption of stochastic programming has been hindered by computational challenges caused by the two-stage stochastic programming formulation which requires solving an ensemble of optimization problems. Using quantum amplitude estimation (QAE), quantum computers have shown the theoretic ability to compute expectations with Monte-Carlo methods with quadratically fewer samples than classical methods. In this work, we present a quantum algorithm for computing the expectation term using QAE for given first-stage decisions. Further, we detail methods of computing gradient information from the quantum calculation enabling the application of classical gradient-based optimization techniques. The result is a classical-quantum hybrid method of solving two-stage stochastic programs. These techniques are demonstrated with computational experiments based an engineering optimization problem.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Calibration of the Nonlinear Viscoelastic SPECtacular Model for 828-CTBN/DEA/GMB and 828/Z/AlOx

Nonlinear viscoelastic model calibrations are developed for two filled epoxies: an adduct of Epon 828 DGEBA and CTBN cross-linked with diethanolamine (DEA) filled with glass microballoons, called 828-CTBN/DEA/GMB, and Epon 828 DGEBA cross-linked with Ancamine Z and filled with alumina, called 828/Z/AlOx. The thermo-mechanical responses of these materials are represented using the SPECtacular constitutive model, an extension of the Simplified Potential Energy Clock (SPEC) model. The model couples

Cundiff, Kenneth Noel [Sandia National Laboratorie↗
DOE OSTI2024

Thermodynamically informed priors for uncertainty propagation in first-principles statistical mechanics

Here, this work demonstrates how first-principles statistical mechanics approaches within a Bayesian framework can quantify and propagate uncertainties to downstream thermodynamic calculations. To address the issue of Bayesian prior selection, knowledge of 0 K ground states in the material system of interest is incorporated into the prior. The effectiveness of this framework is shown by creating a phase diagram for the fcc zirconium nitride system, including confidence intervals on order-disorder transition temperatures.

Bayesian methods↗
DOE OSTI2026

Atomistic Simulation of Glasses and Amorphous Materials: Challenges and Opportunities for the Next Decade

Atomistic simulations have become indispensable tools for understanding glass structure, dynamics, and properties, yet persistent challenges limit their predictive power. This perspective examines three interconnected issues, namely glass formation procedures, interatomic potential development, and machine learning applications, which emerged from the 5th International Workshop on Challenges of Atomistic Simulations of Glasses and Amorphous Materials. We identify convergent community priorities for (i) standardized validation protocols, (ii) curated benchmark datasets with complete metadata, and (iii) open repositories for glasses. A systematic was forward is provided by a hierarchical validation framework for assessing the structural fidelity, property prediction, and behavioral realism of simulation techniques. Looking ahead, transformative advances are promised by the fusion of classical techniques with machine learning based approaches, for instance, by integrating swap Monte Carlo with machine-learning (ML) potentials, leveraging foundation models through transfer learning, and finetuning ML potentials with experimental data. Progress depends on the community committing to validated models, reproducible protocols, and sustained data sharing.

Krishnan, N. M. Anoop↗
DOE OSTI2026

Fracture Analysis of Cohesive Zone Models for Modeling Residual Stress Induced Delamination in Composite Structures

A fracture study of coupon-scale composite cylinders with embedded defects was conducted with an objective to assess and validate a modeling approach using two available cohesive material models. The study included experimental and simulation evaluations of initiation of crack growth and progression. Interrupted thermal experiments used acoustic emissions monitoring to identify the onset of crack progression during each cooling interval and ultrasonic scanning provided images of defect growth. Verification, validation, and uncertainty quantification (VVUQ) processes were performed in the assessment of the simulation predicted temperature at which crack propagation begins (quantity of interest). The Sobol sensitivity analysis identified the hoop direction elastic modulus in the carbon fiber reinforced polymer (CFRP) plies as the most influential parameter for simulations using both cohesive models, accounting for at least 70% of the variation in the temperature at crack propagation. The UQ temperature range for the Tvergaard-Hutchinson model was higher (more conservative) than the experimental acoustic measurement indicators of crack progression, while the temperature range for the Thouless-Parmigiani model enveloped the experimental data points for the primary defect size of 0.75 x 1 in. The simulations could not capture the stable crack growth indicated in the experiments. This is likely due to the models’ inability to represent anisotropic fracture toughness attributed to the structure of the orthotropic fiber weave in a woven composite laminate.

42 ENGINEERING↗
DOE OSTI2026

Fast Active-Set Thresholding Method for Nonnegative Least Squares

Nonnegative Least Squares (NNLS) is a fundamental constrained optimization problem encountered in many applications such as image deblurring, signal processing, nonnegative matrix factorization, magnetic microscopy, and hyperspectral imaging. Active-set based methods are a common class of algorithms for solving NNLS which identify the optimal variable set of the NNLS solution. They do so by iteratively solving a series of unconstrained least squares problems, identifying which variables violate the nonnegativity constraints, and then swapping variables in/out of consideration until the optimal set of variables is found. Several variations improving upon this method exist in the literature. In this work, we propose an active-set swap heuristic which further improves upon existing active-set based methods for NNLS. Our optimizations are based upon adding multiple variables to the passive set within a threshold of the smallest gradient value and removing variables within a similar threshold of the closest boundary constraint. We leverage these optimizations to yield a Fast Active-Set Thresholding NNLS (FAST-NNLS) algorithm which significantly outperforms the existing state-of-the-art NNLS algorithms for a wide range of problems. Rigorous convergence guarantees are proven for the proposed method. We demonstrate the effectiveness of our proposed method on multiple synthetic datasets and two realworld text analysis applications. In doing so, we present the most comprehensive NNLS solver comparison in the literature to date.

Cobb, Benjamin [Georgia Institute of Technology]↗
DOE OSTI2026

Lagrange-Remap strategy for multi-material fluid-solid simulations using compressive limiters

In the present work, the Lagrange-Remap strategy proposed in [1] is extended to multi-material fluid-solid simulations. Both hypo-elastic and hyper-elastic material models are considered to describe the mechanical behavior of the solids. In practice, the deviatoric stress tensor (for hypo-elastic materials) and the left Cauchy-Green tensor (for isotropic hyper-elastic materials) are remapped, while the use of compressive limiters effectively reduces numerical diffusion during the remapping step. The simplicity of this diffuse interface approach is emphasized in the context of multi-material fluid-solid simulations. A series of Lagrange-Remap test cases, involving both solids and fluids, are conducted and compared with reference Lagrangian simulations, demonstrating the robustness and accuracy of the overall numerical strategy.

Compressive limiters↗
DOE OSTI2025

Interwoven magnetic kagome metal overcomes geometric frustration

Magnetic kagome materials provide a platform for exploring magneto-transport phenomena, symmetry breaking and charge ordering driven by the intricate interplay among electronic structure, topology and magnetism. Yet geometric frustration in conventional kagome magnets limits their tunability. Here we propose a design strategy for interweaving quasi-one-dimensional magnetic Tb zigzag chains with non-magnetic Ti-based kagome bilayers in TbTi 3 Bi 4 . Comprehensive spectroscopic analyses reveal coexisting elliptical-spiral magnetic and spin-density-wave orders accompanied by a large ~90 meV band-folding gap. The combined magnetic and electronic state leads to a giant anomalous Hall conductivity of 10 5 Ω −1 cm −1 , which exceeds that observed in frustrated kagome analogues. These results establish TbTi 3 Bi 4 as a model system of magnetic kagome metals with strong electron–magnetism interactions and underscore the necessity of interweaving designed magnetic and charge layers separately to achieve tunable transport properties. This design strategy will enable the discovery of emergent quantum states and next-generation electronic materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Derivation of low-energy Hamiltonians for heavy-fermion materials

Here, by utilizing a multiorbital periodic Anderson model with parameters obtained from ab initio band structure calculations, combined with degenerate perturbation theory, we derive effective Kondo-Heisenberg and spin Hamiltonians that capture the interaction among the effective magnetic moments. This derivation encompasses fluctuations via both nonmagnetic 4⁢𝑓 0 and magnetic 4⁢𝑓 2 virtual states, and its accuracy is confirmed through comparison with experimental data obtained from CeIn 3 . The significant agreement observed between experimental results and theoretical predictions underscores the potential of deriving minimal models from first-principles calculations for achieving a quantitative description of 4⁢𝑓 materials. Moreover, our microscopic derivation unveils the underlying origin of anisotropy in the exchange interaction between Kramers doublets, shedding light on the conditions under which this anisotropy may be weak compared to the isotropic contribution.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Asymmetric pathways for lithium extraction and recovery based on the two-phase equilibrium of layered oxides

Electrochemical intercalation offers a promising platform for Li + extraction. However, only limited types of electrode materials have been investigated. The challenge to broaden and tailor materials for electrochemical intercalation-based Li + extraction lies in the lack of understanding of material’s response upon co-intercalation of multiple ions, therefore, paired process design to enable reversible Li + extraction and recovery. Here, we showcase the design of asymmetric ion pathways for Li + extraction and recovery for host material with complex Li + and Na + interaction using layered cobalt oxide as a model material. The two-phase equilibrium of Na 0.48 CoO 2 and Li 0.94 CoO 2 governs Li + selectivity when a high depth of intercalation is achieved (low vacancy level). We show that the relative rate between ion exchange and intercalation is critical to determine the ion pathways. The relationship can be quantitatively compared using the average pseudo ion exchange rate (C pseudoIX ) and the intercalation rate (C inter ). The ion pathways at the three regimes with C pseudoIX > C inter , C pseudoIX ~ C inter , and C pseudoIX < C inter are constructed. By selecting the optimized ion pathway and particle size, we demonstrate 9.7×10 4 Li + selectivity with 99% purity Li + recovery from an initial 1:1000 Li: Na molar ratio solution using 115 mAh/g specific capacity.

electrochemistry↗
NASA NTRS2026

Improvement of Odor Control for the UWMS Hard-Sided Fecal Canister and the Alternate Fecal Canister

On longer range exploration missions, the mass and volume of critical hardware and consumables required to support crew will pose a big stowage challenge. This includes the hardware for the collection and storage of human metabolic solid waste. The amount of stowage needed for this hardware both before (empty) and after (full) use will be a significant burden on the overall spacecraft habitable volume, layout, and design. To help with this challenge, the National Aeronautics and Space Administration (NASA) Mars Campaign Office (MCO) Logistics Reduction (LR) Portfolio has developed a collapsible canister for the collection and containment of fecal deposits. The Alternate Fecal Canister (AFC) is a collapsible alternative to the exploration toilet Hard-sided Fecal Canister (HFC). The AFC in its empty state has a volumetric benefit to smaller vehicles on longer missions. The current designs for HFC and AFC were tested with human fecal material for odor containment at White Sands Test Facility (WSTF) where the tests on both were unsuccessful. The source of the lack of containment was isolated to a gasket used on both HFC and AFC. The gasket used was found to be open cell in design. This paper provides a summary of the materials selection and testing process to identify a replacement gasket material with the intention to replace the gaskets on both existing units as well as incorporate it into the designs going forward for future builds for exploration. Details will be provided on the design of the canisters interface with the odor bacteria lid which led to the selection of the thickness of the desired replacement. Finally, the paper will provide an update on the testing in advance of a return to WSTF for final testing and detail plans to complete testing and perform a demonstration on ISS with UWMS.

Toilet↗
DOE OSTI2026

Feedstock Choices for Advancing the Bioeconomy in the US and Policy Implications

Biomass feedstocks will be critical for scaling up the bioeconomy in the United States to meet multiple demands for biofuels, sustainable aviation fuel, bioproducts, and biochemicals. There is a wide range of choices of feedstocks, including a variety of dedicated energy crops and crop residues. There are substantial differences in the yields, costs of production, and carbon intensity of these feedstocks and for each feedstock across locations. These feedstocks also differ in the trade-offs they offer among multiple environmental impacts. We discuss the economic factors that will influence the production of these feedstocks and the implications of alternative biofuel and low-carbon policies for the mix of feedstocks that will be incentivized.

Khanna, Madhu (ORCID:0000000349944451)↗
DOE OSTI2026

ORNL Report of Analysis for the Verification of NRMP CRM U030A

In support of the Certified Reference Material (CRM) program managed by the Nuclear Reference Material Program (NRMP), the Material Signatures and Isotopic Standards (MSIS) group of Oak Ridge National Laboratory (ORNL) was asked to prepare a set of CRM U030A units for use as standards for isotopic analysis using multicollector thermal ionization mass spectrometry (TIMS) and inductively coupled plasma mass spectrometry (ICP-MS) instruments. This report documents the results of the verification measurements performed on three randomly selected units by the MSIS group’s ISO/IEC 17025:2017 accredited operating procedure CSD-AM-CIMS-IN20, Determination of Uranium and Plutonium Isotopic Composition using Thermal Ionization Mass Spectrometry [1], and in accordance with the quality assurance plan as described in QAP-X-96-CSD/RML-001, Nuclear Analytical Chemistry Laboratory Section Quality Assurance Plan [2].

Mathew, Kattathu [Oak Ridge National Laboratory (O↗
DOE OSTI2026

Compatibility of Type 304H Stainless Steel in Static Molten FLiBe for Inertial Confinement Fusion Reactors: Role of Impurities and Redox Control

Molten fluoride salts, such as FLiBe (LiF-BeF2), are promising candidates for tritium breeding and heat transfer in fusion reactors, but corrosion of structural materials remains a major challenge. This study investigates the corrosion behavior of austenitic stainless steel 304H in purified and NiF2-containing FLiBe at 500°C and 600°C, focusing on the effects of impurities and redox control. Exposure to purified FLiBe resulted in the concurrent depletion of Cr, Mn, and Fe, with corrosion at 500 °C dominated by the combined oxide formation and elemental dissolution, while at 600°C elemental depletion was predominant. The addition of a controlled NiF2 impurity significantly accelerated corrosion at both temperatures, demonstrating the sensitivity of 304H to the salt redox state. Beryllium additions were effective in mitigating corrosion for both baseline and NiF2-containing FLiBe; minimal depletion of Cr, Mn, and Fe occurred with Be additions as low as 2.5 mg (147 wppm), and no NiBe intermetallics formed at 5 mg (294 wppm), indicating that small Be inventories can provide substantial protection without deleterious phase formation. Thermodynamic equilibrium and coupled thermodynamic-kinetic analyses at the salt-alloy interface suggested low corrosion rates in systems with limited hydrogen fluoride (HF) generation, highlighting the importance of salt redox control. Estimates for a Be addition rate were calculated for the HYLIFE-II fusion reactor that can mitigate corrosion-induced degradation, assuming complete conversion of tritium to tritium fluoride (TF). Overall, 304H shows reasonable compatibility with FLiBe under optimized redox conditions. These results provide quantitative guidance for material selection and salt management in fusion blanket and heat exchanger systems and motivate validation under flowing, nonisothermal, and irradiated conditions.

Pillai, Rishi [ORNL] (ORCID:0000000243688197)↗
NASA NTRSDate not supplied

Effect of Composition Variation on Isothermal Rapid Curing Resins for Aerospace Applications

To meet the projected demand for single-aisle composite aircraft in 2040, the production rate of these aircraft will need to increase by four to six times what is currently achievable. A composite manufacturing process with the potential to enable the targeted rates is isothermal resin infusion where infusion and cure occur at the same temperature. However, presently there is not an accepted aerospace-grade resin that can support this isothermal infusion process and maintain acceptable resin properties. Therefore, resin development initiatives have designed anionic catalyzed epoxy systems capable of isothermal infusion and rapid cure at a temperature below 100 ˚C in one hour. High-performance aerospace properties are achieved after undergoing a freestanding post-cure. The resins facilitate faster, energy efficient production cycles by reducing the time and temperature required for cure and eliminating temperature ramps typically required of materials used in the aerospace industry. This work discusses several of the developed resin systems and the impact of varying composition on rheological, thermal, and mechanical properties. Carbon fiber composites were fabricated for one composition by resin transfer molding to demonstrate the potential of these isothermal, rapid cure systems for meeting industry needs.

resin transfer molding↗