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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

The scientific case for concurrent neutron and X-ray scattering and spectroscopy

The interrogation of materials with X-rays or neutrons to determine structure, energetics, and dynamics is fundamental to advancing physical and chemical materials science and enabling innovative material technologies. A persistent challenge in materials development is that progress depends on understanding structure and dynamics across multiple length and time scales in increasingly complex, multicomponent systems featuring interfaces, heterogeneity, and hierarchical organization. Despite rapidly growing demands on materials characterization, current experimental approaches are almost exclusively based on isolated X-ray or neutron scattering and spectroscopy, reflecting a paradigm largely unchanged for decades. To assess the scientific need for a new experimental paradigm, a 3-day workshop sponsored by the U.S. National Science Foundation (NSF) was held at the SpringHill Suites, San Jose, California, from June 2 to 4, 2022. The workshop brought together 70 national and international experts who critically evaluated opportunities enabled by concurrent neutron and X-ray (NeX) scattering, spectroscopy, and imaging experiments. The participants reached a clear consensus that establishing NeX capabilities is crucial for advancing the science of complex materials in the United States. This report illustrates the scientific drivers for NeX experiments through representative examples spanning biomaterials, energy materials, soft matter, nanomaterials, quantum materials, geoscience, and applied materials research. The complementarity of neutrons and X-rays is essential for robust model development and refinement, particularly in multiphase and multicomponent systems. While joint refinement of data from separate experiments is valuable, concurrent measurements uniquely eliminate uncertainties arising from sample evolution, environmental drift, and irreproducibility associated with experiments performed at different locations and times. Realizing NeX capabilities will require the development of new instrumentation, data analysis frameworks, and robust sample environments compatible with both neutron and X-ray probes. Addressing these challenges will enable unambiguous interpretation of complex materials behavior and open new frontiers in materials research.

X-ray↗
DOE OSTI2026

Jumpstart Opportunities to Unleash Leadership in Energy Storage (JOULES)

Current-generation Li-ion batteries with cobalt- and nickel-containing cathodes and graphite anodes are approaching performance and cost limits. In this program, 24M Technologies, Inc. (24M) is teaming with the Massachusetts Institute of Technology (MIT) and University of Michigan (UM) to develop low cost and fast charging sodium metal batteries with good low-temperature performance and high energy density, building upon previous work performed under ARPA-E programs. Key achievements include optimization of solid electrolyte and anode current collector, optimized cathode active materials, development of high-performance electrolyte formulations, and integration of these components into full cells. The cell design incorporates (1) an ultra-thick cathode (>9 mAh/cm 2 ) comprising advanced cobalt-free, sodium cathode active material, (2) advanced fast-charging electrolyte (up to 12 mS/cm) developed using machine learning and automated high-throughput screening technology by UM, and (3) ceramic modified separator that enable smooth Na transport and deposition, developed at MIT, enabling a high-energy density anode-free configuration and maximizing the energy density of sodium batteries. The team has successfully combined these approaches to sodium chemistry and paved the way to meeting the fast-charging, high-energy density, and low-cost requirements of next-generation drone, electric vertical take-off and -landing, and electric vehicle batteries. Performance for anode-free sodium cells developed under this program is more powerful than the commercial Li-ion batteries. The final deliverable cell design has achieved over 300 Wh/kg and volumetric energy density above 800 Wh/L (Table 1). Additionally, the team has achieved over (1) a lifetime of 340 cycles, (2) 80% capacity retention at -20 °C (compared 25 °C), and (3) the ability to fast charge to 80% SOC in 20 minutes.

25 ENERGY STORAGE↗
DOE OSTI2025

From Quantum to Classical: Sensing Materials, Methods, and Platforms for Energy

This presentation covers several ongoing sensors projects at NETL, including the use of quantum sensors for energy sector applications (e.g. infrastructure monitoring, critical metal detection, grid modernization) as well as NETL-developed materials and platforms for detecting economically critical metals including rare earth elements, cobalt, and aluminum. Taken together, these projects demonstrate NETL's leadership in unleashing American energy through the development of high performance sensors for reliable energy production and consumption.

critical minerals↗
DOE OSTI2025

Shape‐Stabilization of Phase Change Materials with Carbon‐Conscious Poly(hydroxy)Urethane Foams

Thermal energy regulation is a significant challenge, contributing to over 30% of annual greenhouse gas emission (GHG) emissions. Phase change materials (PCMs) offer a promising solution by storing thermal energy, which can enable the reuse of waste heat for heating and cooling; however, developing materials for shape-stabilized PCMs remains crucial. This work investigates a self-foaming poly(hydroxy)urethane (PHU), derived from a non-isocyanate polyurethane (NIPU), as a porous support for shape-stabilizing paraffinic and salt hydrate PCMs. PHU-encapsulated paraffinic PCMs exhibited excellent thermal stability over repeated cycles. Thermal stability with salt hydrate PCMs, specifically calcium chloride hexahydrate (CaCl 2 •6H 2 O), is achieved by the incorporation of 5 wt.% barium carbonate (BaCO 3 ) into the PHU foam. This enabled stable cycling for over 48 cycles with desirable thermal properties, i.e., a melting point ≈30 °C, high enthalpy (ca. 138 J g −1 per cycle), and a consistent freezing point ≈20 °C, making it suitable for applications in buildings and electric vehicle battery insulation. Also, incorporating graphite (1.5–10 wt.%) into the foam enhanced the thermal conductivity of shape-stabilized CaCl 2 •6H 2 O during heating and cooling cycles. Overall, the approach detailed here offers a carbon-conscious and chemically tunable material for thermal energy storage.

25 ENERGY STORAGE↗
DOE OSTI2025

High-Density, Low-Hysteresis Storage Using Hydrated Salts in Surface-Functionalized Hydrogels (Final Technical Report)

Nearly 70 years ago, Glauber’s salt was identified as a leading phase change material (PCM) in terms of its heat storage density (~2x paraffin), thermal conductivity (~1W/m·K), safety, availability and cost (~$\$$100/ton). However, the complex issues of supercooling and incongruent melting due to phase separation have prevented realization of the promise. The addition of thickeners and nucleating agents such as borax solve these issues but only over few cycles. This work aims to (a) resolve long-standing challenges with Glauber’s salt as a thermal storage material through a unique materials approach, (b) to characterize the new material’s properties that are relevant to performance and (c) to explore its incorporation into commercial water heaters. The materials concept involves encapsulating the salt in custom-designed, large-mesh hydrogels that enable breakthrough advances. Specifically, (1) the choice of mesh size and polymer chemistry control diffusion of salt/water and help to eliminate phase segregation. With the hydrogel itself occupying <10% volume, there is little loss in storage density compared to another encapsulation. (2) Specific nucleation centers that covalently tether to the hydrogel trigger heterogeneous nucleation, eliminating supercooling-associated hysteresis losses. The fact that they are spatially tethered, prevents the loss in performance over multiple freeze/thaw cycles (>100). We report extensive characterization of the hydrogel complex in terms of its storage density, freezing/melting temperature, cycling losses, rheological properties, aging and thermal conductivity. The novel material developed in this work is a significant advancement over the state-of-art. Finally, we investigate its potential as a thermal storage material for commercial/residential water heating and identify scenarios in which its deployment is advantageous.

25 ENERGY STORAGE↗
DOE OSTI2025

Development of interatomic potential and effect of ordering on defect properties in CrMnV

Developing materials that can withstand extreme environments, such as high radiation doses and elevated temperatures, is crucial for next-generation particle accelerators, including the 2.4 MW Long-Baseline Neutrino Facility. High-Entropy Alloys have emerged as promising candidates for beam window materials due to their superior mechanical strength, corrosion resistance, and radiation tolerance. In this study, we focus on the Cr–Mn–V alloy system, developing and employing machine-learning interatomic potentials (MLIPs) to investigate the formation of an ordered phase and its influence on defect properties. Using hybrid Monte Carlo-Molecular Dynamics simulations, we observe the formation of a B2-ordered phase at lower temperatures, consistent with Density Functional Theory (DFT) predictions. Ordered structures display a bimodal distribution of migration energies and reduced mean square displacement values, indicating suppressed vacancy diffusion. Our results also show that the migration energy barrier varies based on the atomic species, with Mn and V exhibiting the highest and lowest average barriers, respectively. These findings suggest that atomic ordering inhibits defect mobility, potentially enhancing the radiation resistance of CrMnV alloys. The validated MLIP provides a reliable framework for simulations that are faster than traditional DFT while maintaining the accuracy required to study defect and ordering properties.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Transformational Sorbent-Based Process for a Substantial Reduction in the Cost of CO 2 Capture

InnoSepra’s project, “Transformational Sorbent-Based Process for a Substantial Reduction in the Cost of CO 2 Capture,” utilized computational tools, materials characterization, and lab and pilot-scale testing to optimize previously identified materials to determine their performance under post-combustion capture conditions. InnoSepra utilized the test results to determine the energy required for regeneration and to develop a process design/analysis to demonstrate the application of developed materials for post-combustion capture. A techno-economic analysis was performed to fully assess the potential of the materials for post-combustion capture. InnoSepra also updated the State Point Data Table and completed the environmental, health, and safety (EH&S) Risk Assessment. The InnoSepra CO 2 capture technology has the potential for a significant reduction in the CO 2 capture cost for the power plant and industrial flue gases.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2024

Integrated Carbon Capture and Propane Oxidative Dehydrogenation for Olefins Production under Isothermal Conditions over Cr₂O₃-ZSM-5/CaO-CaZrO₃ Reactive Capture Materials

Converting captured CO₂ into fuels and marketable chemicals using bifunctional materials (BFMs) represents a promising sustainable solution. In this study, a BFM composed of a Cr₂O₃/ZSM-5 catalyst and a CaO-CaZrO₃ sorbent was developed and tested for the integrated CO₂-oxidative dehydrogenation of propane (CO₂-ODHP) in a fixed bed reactor. The CaO-CaZrO₃ sorbent, prepared using the citrate sol-gel method, demonstrated high CO₂ adsorption capacity and improved cyclic stability compared to pure CaO. The BFM achieved 23.5% propane conversion, 52.5% propylene selectivity, and 68.7% olefin selectivity at isothermal adsorption-reaction conditions (630-630 °C). Overall, this study provides insights into enhancing CO2 adsorption and developing materials for integrated CO2 capture and conversion.

Baamran, Khaled↗
DOE OSTI2025

An improved method for quantitatively measuring antifouling coating performance using a mussel single thread tensile adhesion test

Surface biofouling reduces the efficiency and lifespan of equipment across many industries. The development of high-performance antifouling surfaces, such as foul release coatings, benefits from test methods that can quickly identify superior antifouling surfaces in the laboratory during material development. Existing test methods poorly discriminate between different foul release coatings. Here is presented a method to assess the ability of surfaces to resist mussel adhesion using a quantitative, controlled single thread adhesion test (STAT) method, allowing for meaningful comparisons between low adhesion foul release surfaces. This method provides greater accuracy and finer resolution than push-based mussel shear adhesion methods without the difficulties associated with mussel size, thread attachment angle, or harming the mussels. The single thread tensile method is demonstrated on a variety of standard and high-performance coatings, and it is shown that the method detects differentiation between commercial foul release coatings that could not be resolved using other methods.

42 ENGINEERING↗
DOE OSTI2024

Membrane Development for CO2 Capture from Steel Manufacturing

The U.S. government is targeting a net-zero carbon-emission economy by 2050, offering an exciting opportunity for membrane-based CO2 capture from various industrial point sources. Given that industrial flue gas has low CO2 partial pressures and high volumetric flow rates, high-permeance membranes are needed to make membrane technology economically viable for large-scale deployment. Thin film composite (TFC) membranes are necessary for this implementation because they can provide high permeance by forming a thin selective layer on top of a porous support. This presentation will report the rational design and fabrication of NETL’s highly permeable non-aging TFCs achieved by: synthesizing a high-performance rubbery selective material; developing a high-porosity membrane support; optimizing coating methods to assemble the two materials into scalable membranes; and scaling up membrane supports and TFCs via a roll-to-roll process. The novel rubbery selective material shows mixed-gas CO2 permeability of 930 Barrer and CO2/N2 selectivity of 44, exceeding the 2008 Robeson upper bound. The resulting TFCs yield remarkably high CO2 permeance of 4,500 GPU and CO2/N2 selectivity of 34 at 23ºC. Moreover, the TFCs exhibit not only excellent performance stability (or non-aging behavior) for 1,000 hours in the lab, but also maintain their separation properties in a 700-hour field test at the U.S. DOE’s National Carbon Capture Center using real humid flue gas.

Tran, Thien↗
DOE OSTI2024

C.9 Scribe NMAC Layer Video Development

This task incorporates NMAC insider threat principles and good practices into video format for aiding in training activities. It was labeled as Task C.9 under the FY24 Annex 1 for NA-211 SSM A&I Pillar. For activity development, the setting of a research and test reactor, RTR, was selected as the focus of this fiscal year. More specifically, a TRIGA reactor was selected for facility and reactor inspiration. FY 23/24 developed materials Research Reactor Facility Measures against the Insider Threat, LLNL-MI-839144, was used as a reference for selecting relevant, suggested mitigation measures to incorporate into the script and subsequent videos. Throughout the initial phases of development, discipline SMEs met with Scribe SMEs from Sandia National Laboratory to create the initial story arc and assess the limits of Scribe/Odin technologies available for the project. As a result, the decision for a two-fold deliverable was developed and utilized as the basis for script development efforts over the first half of the fiscal year.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2026

Uranium Sorbent Development

This report describes the synthesis of amidoxime-based sorbents for uranium extraction from natural waters. Two sorbents were tested, a commercial polyacrylonitrile-based commercial yarn and a nonwoven polypropylene fabric that was grafted with polyacrylonitrile and itaconic acid. The commercial yarn was chosen due to the ease of access and anticipated reproducibility. The polypropylene fabric was produced exclusively during the previous DOE funded Uranium from Seawater campaign and is no longer available. The polypropylene fabric represented a comparison against material developed to extract uranium from seawater, not freshwater.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Analysis of the Surface Morphology and Chemical Composition of Zr-Nb3Sn Alloys with Different Zr Concentrations

In the field of superconducting science, Nb has been the material of choice for Radio Frequency (RF) Cavities for years. However, in recent years Nb3Sn has shown to be a promising alternative to Nb. Its combination of a significantly high superconducting transition temperature and a much higher value of upper critical magnetic field (Hc2), has been the reason the alloy has been so widely studied. This project aims to develop materials to further improve the high magnetic field performance of Nb3Sn by improving its upper critical magnetic field and critical current density (Jc). One way to improve the Jc and the Hc2 is to create more grain boundaries in the Nb3Sn alloy allowing them to trap more magnetic flux lines in the materials. To do this the grains must be made smaller which will naturally cause the formation of more grain boundaries. A common way to create smaller grains is by doping an impurity in the alloy. In this study, Nb3Sn was doped with Zr to form Zr-Nb3Sn alloys. This project investigates the surface properties and chemical composition of Zr-Nb3Sn alloys with varying zirconium concentrations (~0.5% and ~24% Zr). Using Scanning Electron Microscopy (SEM), Energy Dispersive Spectroscopy (EDS), and X-ray Photoemission Spectroscopy (XPS), allowed for the characterization of the differences in surface morphology and elemental composition between samples. SEM images were quantified using ImageJ giving insight into grain distribution. The results indicate that increased Zr concentration creates smaller grains in the Zr-Nb3Sn alloy. Furthermore, the ~ 24% Zr grew nanoscale particles on the surface that are possible oxides. XPS data revealed that as Zr concentration increased, the total Nb oxides (NbOx) thickness decreased. Conversely, as Zr concentration increased, the surface Sn oxides (SnOx) also increased slightly. Quantification via ImageJ of SEM data showed that the ~ 0.5% Zr sample had a grain size of ~ 5300 nm2. These results show that Zr inclusion leads to smaller grain formations, which is promising in the world of superconducting RF cavities for high magnetic field applications.

Sue, Micah↗
DOE OSTI2025

Detector Materials Scoping Study: Research and Development Recommendations

Radiation detection materials have a unique role in many nuclear security missions. The variety of different applications requires the use of different materials whose characteristics are determined by the specific application requirements. While baseline capabilities have been established to use radiation detection in these applications, the potential to greatly advance those capabilities still exists through the development of superior radiation detection materials and/or the development of new materials that enable new technologies to be implemented more effectively. In 2024 the Defense Nuclear Nonproliferation Research and Development (DNN R&D) Near Field Detection Portfolio charged a detector materials scoping study, composed of a group of radiation-detection materials subject matter experts, to produce a community-wide consensus view of the current state of radiation materials research and to set recommendations for expanded investment over a ten-year time frame. This scoping study sought to understand and document the landscape of how radiation detection materials are used, what characteristics drive the selection of various materials, and what developments are needed to drive the state of the art. To respond to this charge, the scoping study created three working groups, each focusing on a different topical area in radiation detection materials research - Semiconductor Materials, Inorganic Scintillators and Organic Scintillators - with the task to identify the current state of the art in materials research and to provide mission-relevant research and development recommendations. Each working group was chaired by two members of the project team with widely recognized expertise in the field. Solicitations were sent out to experts at the DOE national laboratories, industry, academia and federal government agencies to participate in these working groups. The working groups met at regular intervals throughout 2024 and early 2025, each delivering a technical roadmap designed to enable the pursuit of R&D more intensely on high-impact materials challenges and detector solutions that are deemed as the greatest strategic value to DNN R&D and its stakeholders. The roadmap is also intended to help communicate recommended programmatic priorities within DNN R&D and across the nonproliferation and research communities.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Technoeconomic Insights into Metal Hydrides for Stationary Hydrogen Storage

Abstract Metal hydrides (MHs) are promising candidates for storing hydrogen at ambient conditions at high volumetric energy densities. Recent developments suggest hydride‐based systems can cycle and operate at favorable pressures and temperatures that work well with fuel cells used in stationary power applications. In this study, we present a comprehensive design and cost analysis of MH‐based long duration hydrogen storage facilities for a variety of power end users (0 to 20 megawatts (MW) supplied over 0 to 100 hours), to offer insights on technical targets for material development and operation strategies. Our findings indicate that hydride‐based storage systems hold significant size advantage in physical footprint, requiring up to 65% less land than 170‐bar compressed gas storage. Metal hydride systems can be cost competitive with 350‐bar compressed gas systems, with TiFe 0.85 Mn 0.05 achieving $0.45/kWh and complex MH Mg(NH 2 ) 2 ‐2.1LiH‐0.1KH achieving $0.38/kWh. Extending charging times and increasing operating cycles significantly reduce levelized cost of storage, especially for complex MHs. Key strategies to further enhance the competitiveness of MHs include leveraging waste heat from fuel cells, reducing use of critical minerals, and achieving MH production costs of US$10/kg.

08 HYDROGEN↗
DOE OSTI2024

Advanced Manufacturing Techniques and Compositions of High Entropy Alloys for Nuclear Applications

In line with the objectives of the Department of Energy, Office of Nuclear Energy, Advanced Materials and Manufacturing Technologies (AMMT) program, this work focuses on new materials development and qualification research and development for next-generation, high-temperature nuclear reactors. High entropy alloys (HEAs) have the potential to serve in these extreme environments of next-generation nuclear reactors because of their unique phase transformation pathways and nanoscale and mesoscale microstructures. The current work focuses on understanding such nuclear-energy-relevant HEAs through a detailed literature survey, selected experimental work, and developing a decision matrix with criteria for the identification of HEAs that may have the most impact and value for further examination.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Evaluating Material Design Principles for Calcium-Ion Mobility in Intercalation Cathodes

Multivalent-ion batteries offer an alternative to Li-based technologies, with the potential for greater sustainability, improved safety, and higher energy density, primarily due to their rechargeable system featuring a passivating metal anode. Although a system based on the Ca 2+ /Ca couple is particularly attractive given the low electrochemical plating potential of Ca 2+ , the remaining challenge for a viable rechargeable Ca battery is to identify Ca cathodes with fast ion transport. In this work, a high-throughput computational pipeline is adapted to (1) discover novel Ca cathodes in a largely unexplored space of empty intercalation hosts and (2) develop material design rules for Ca-ion mobility. One candidate from the screening, W 2 O 3 (PO 4 ) 2 , is confirmed to have a low Nudged Elastic Band (NEB) barrier of 168 meV within a one-dimensional (1D) ion percolation topology. This candidate is subsequently synthesized and electrochemically tested, achieving reversible Ca cycling with a capacity of 25 mA h/g. To further accelerate the screening for promising Ca intercalation electrodes, machine learning (ML) Random Forest (RF) and Extreme Gradient Boosting (XGB) classification models are created with local environment descriptors based on a large, structurally and chemically diverse dataset of minimum energy pathways, spanning over 5,000 density functional theory (DFT) site energy calculations. Accuracies of 92% are achieved, material design metrics are quantified, ML force-fields are leveraged in an accelerated iteration of the screening, and a total of 27 novel Ca cathode materials are highlighted for further investigation.

25 ENERGY STORAGE↗
DOE OSTI2024

Electrolyte and Cutoff Potential Effects on Cycle Life of Li4Ti5O12/LiNi0.9Mn0.1O2 Batteries for Behind-the-Meter Storage Applications

Behind-the-Meter Storage (BTMS) is a stationary battery energy storage system that is connected to the electrical distribution system on the customer's side of the utility's service meter. BTMS systems are used to store electrical energy from the grid as well as inconstant, renewable energy, such as local solar and wind generation. A successful BTMS system will allow the customer to pair their energy generation and storage to optimize electrical consumption from the grid, improving reliability and minimizing cost. For BTMS applications, batteries must be designed and optimized with different set of criteria from other leading segments of the Li-ion battery market, like transportation, due the system being stationary and proximal to the residential or commercial building it's benefitting. BTMS applications prioritize safety, cost (low/no-critical materials), reliability (20-year calendar life), and durability (10,000 cycle life), while having the ability to (minimally) compromise energy density and rate capability. Lithium titanate (Li4Ti5O12-, LTO) is a promising anode candidate for BTMS applications due to its high safety and capacity retention, while maintaining a reasonable 160 mAhg-1 reversable capacity and composition of relatively abundant materials. (1) Specifically, LTO has a high working voltage which helps to prevent Li dendrite formation, improving safety. Furthermore, LTO also has negligible lithiation-based volume change, leading to less mechanical pulverization, or loss of active material, upon cycling. For the cathode, materials with little or no Co are of high interest due to the high cost and low abundance of Co. LiMn2O4 (LMO) has been paired with LTO for BTMS applications in the past due to its safety, low cost (abundancy), and reasonably high operating voltage. (2-4) However, the low capacity of LMO limits energy density and specific energy. While not the highest priority for BTMS applications, increasing energy density will enable deployment in space constrained BTMS applications and decrease total cost. LiNi0.9Mn0.1O2 (LN-MO) is a recently developed material with promise due to its high operating voltage and relatively low price. (5) However, Ni-rich layered oxides, including LNMO, tend to struggle with capacity retention during high-voltage cycling due to mechanical pulverization, irreversible phase transitions, and unstable solid-electrolyte interphase. The study presented here focuses on building an understanding of how electrolyte solvent and varied cutoff potentials will impact the cycle life of LTO/LN-MO cells. Specifically, a comparison is provided between ethylene carbonate (EC), ethyl methyl carbonate (EMC), fluoroethylene carbonate (FEC), and Gen2 electrolyte solvents with 1M Lithium hexafluorophosphate (LiPF6) salt, cycling to two upper termination potentials, 2.6V and 2.7V. Electrochemical testing and diagnostics (e.g., differential capacity analysis, area specific impedance, constant voltage hold, and rate capability) and post-mortem characterization will be used to understand the aging behavior and failure mechanisms of the 8 cell combinations (four electrolytes and two voltage cutoffs). Cells with FEC electrolyte showed a lower initial capacity compared to cells with Gen2, EMC, and EC cycling at both voltages; however, the cells with FEC showed consistent trends in capacity retention with 2.6V and 2.7V termination potentials, while the cells with the other electrolytes showed much higher rates of capacity loss when cycling to the higher voltage. These results indicate that FEC may play a role in improving durability of high-voltage, Ni-rich electrode systems for use in high-cycle applications, such as BTMS.

electrolyte↗