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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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1,666 records · Page 83
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Transforming Windows from Energy Liabilities to Zero-Energy Assets: Next-Generation Solutions for Buildings

Windows have traditionally contributed to a building's HVAC load, but they can also become a source of net energy gain or even operate as zero-energy components. For heating applications, highly insulating windows can harness more solar heat than the energy lost through them, transforming windows from energy liabilities to assets. Dynamic glazings provide further benefits by regulating solar heat gain, reducing cooling loads in summer and heating demands in winter. This simulation study focuses on developing the next generation of zero-energy windows (ZEW) for residential new construction. Through annual energy simulations across climate zones 1-8, ZEW performance benchmarks were established based on current code-level buildings, and we've identified the regions where meeting ZEW standards are most achievable. This work evaluates both static and dynamic window technologies, assessing their effects on annual energy use and cost. Key findings demonstrate that ZEW performance is achievable across diverse climate zones, with specific regional requirements. Most climate zones from 3-8 can achieve ZEW with specific configurations, while some warm climates (1-2) appear challenging for ZEW implementation. Climate zones 4-6 consistently allow for zero energy window implementation, offering multiple pathways through either static or dynamic window technologies. Colder climate zones (7-8) ZEW products allow for higher SHGC values while requiring low U-values.

Yu, Lili↗
DOE OSTI2025

Interface Evolutionand Long-Term Performance of NegativeCarbon Fiber Structural Electrodes

Abstract Laminated structural batteries present a transformative solution to reducing weight constraints in electric vehicles. These structural batteries are based on a multifunctional material that incorporates an energy storage function within a carbon fiber-reinforced polymer. Despite the potential of this technology, the intricate morphology of fiber–matrix or electrode–electrolyte interfaces and the impact of long-term cycling at low current rates (C-rates) on these interfaces remain insufficiently understood. This study addresses these critical knowledge gaps by examining the influence of matrix composition on the long-term electrochemical performance of structural battery electrodes and exploring advanced techniques to investigate carbon fiber–matrix interfaces. Localized imaging and X-ray scattering techniques were used to characterize morphological changes at the electrode–electrolyte interfaces by analyzing negative structural electrodes. The findings revealed that the matrix composition influences long-term electrochemical behavior and fiber–matrix interface formation. While the intrinsic properties of carbon fibers largely remain unaffected by long-term cycling, cycling promotes debonding at fiber–matrix interfaces. Nonetheless, residual regions of adhesion persist, underscoring the potential for preserving multifunctionality even under prolonged cycling conditions. These insights advance the understanding of interface dynamics, which is critical for optimizing structural battery technologies.

Chemistry↗
DOE OSTI2026

Corn grown on dredged sediments alters rat behavior in the elevated plus maze via the gut mycobiome

The use of marginal lands for growing food has increased worldwide. Many of these lands are supplemented with soil amendments to enhance their productivity, but they may also introduce contaminants depending on their origin. The use of sediments dredged from commercial waterways as a soil amendment has increased in recent years. However, there is significant concern regarding their potential to negatively affect public health by transferring contaminants, like metals, to the food supply. This study examined the behavior, microbiome and physiology of rats fed corn grown on dredged sediments with rats fed commercial feed corn and related those metrics to kernel metal content. Metal content did not differ between kernels grown on dredged sediments and feed corn for most metals except iron which was greater in commercial feed corn. Although there is some variability by animal response, animals fed corn grown on dredged sediments had a gut microbial community that generally promoted anxiety-like behavior while animals fed feed corn had a gut microbial community that promoted a more typical response. These findings suggest the effect of corn grown on dredged sediments on public health is complex and highlights the need for further investigation.

Rua, Megan [Wright State University, Dayton, OH]↗
DOE OSTI2026

The impact of chemistry on anion migration in bixbyite-structured lanthanide oxides

This manuscript describes atomistic calculations of oxygen vacancy and interstitial migration in bixbyite structured lanthanide oxides. We examine two types of compounds, one in which only one type of lanthanide cation is present and a second class in which two lanthanides are present in a 3:1 ratio as dictated by the symmetry of the bixbyite crystal structure. Using temperature accelerated dynamics and the nudged elastic band method, we quantify the role of chemistry on the energy barriers for the most important pathways for both vacancy and interstitial migration. We then analyze the impact of these variations on the overall diffusivity of each defect, quantifying the contribution of each pathway using the theory of kinosons. We find that vacancy mobility can vary by as much as three orders of magnitude through changes in chemistry at 500 K. Changes in interstitial mobility are more modest but can still vary by an order of magnitude. This points to the ability to tune the mass transport characteristics of these compounds through appropriate choices in chemistry. We have also included supplementary information containing the atomic structures of the relevant pathways.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Topological prethermal strong zero modes on superconducting processors

Abstract Symmetry-protected topological phases 1–4 cannot be described by any local order parameter and are beyond the conventional symmetry-breaking model 5 . They are characterized by topological boundary modes that remain stable under symmetry respecting perturbations 1–4,6–8 . In clean, gapped systems without disorder, the stability of these edge modes is restricted to the zero-temperature manifold; at finite temperatures, interactions with mobile thermal excitations lead to their decay 9–11 . Here we report the observation of a distinct type of topological edge mode 12–14 , which is protected by emergent symmetries and persists across the entire spectrum, in an array of 100 programmable superconducting qubits. Through digital quantum simulation of a one-dimensional disorder-free stabilizer Hamiltonian, we observe robust long-lived topological edge modes over up to 30 cycles for a wide range of initial states. We show that the interaction between these edge modes and bulk excitations can be suppressed by dimerizing the stabilizer strength, leading to an emergent U(1) × U(1) symmetry in the prethermal regime of the system. Furthermore, we exploit these topological edge modes as logical qubits and prepare a logical Bell state, which exhibits persistent coherence, despite the system being disorder-free and at finite temperature. Our results establish a viable digital simulation approach 15–18 to experimentally study topological matter at finite temperature and demonstrate a potential route to construct long-lived, robust boundary qubits in disorder-free systems.

Science & Technology - Other Topics↗
DOE OSTI2026

Improved nylon polymerization using amide diads

Nylons, a major class of synthetic polyamides, are widely used due to their excellent mechanical strength, thermal stability, and chemical resistance. Conventional nylon production relies on the polymerization of lactams or stoichiometric nylon salts. However, applying these approaches to unconventional precursors such as bio-derived glutaric acid produces polymers with low molecular weight and limited applications. To address these challenges, we demonstrated that chemically-synthesized nylon diads enable the production of higher-molecular-weight polyamides compared with traditional salts. We then identified a biosynthetic approach using amide synthetases to convert unprotected bifunctional substrates into nylon-relevant diads. Using a cofactor regeneration system, enzymatic diad synthesis was scaled to produce sufficient material for laboratory-scale characterization and solid-state polymerization. Amide synthetases demonstrated broad substrate scope, catalyzing the regioselective assembly of diverse nylon-relevant diacids, diamines, and ω-amino acids. This strategy offers a novel route to synthesize challenging nylon monomers and advances production of bioderived nylons.

Qian, Liangyu [Oak Ridge National Laboratory (ORNL↗
DOE OSTI2026

Polynomial-time preparation of low-temperature Gibbs states for two-dimensional toric code

In this work, we propose a polynomial-time algorithm for preparing the Gibbs state of the two-dimensional toric code Hamiltonian at any temperature, starting from any initial state, significantly improving upon prior estimates that suggested exponential scaling with inverse temperature. We prove that fast mixing at low temperature for the two-dimensional toric code can be achieved by augmenting local jump operators with simple global jump operators, which enable efficient transitions between logical sectors. To establish tight lower bounds on the spectral gap, we introduce a new reduction method that eventually maps the problem to estimating the spectral gap of a perturbed graph Laplacian on a stair graph. Our proof also shows that the Lindblad dynamics with a digitally implemented low-temperature local Davies generator is able to efficiently drive the quantum state toward the ground state manifold.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Well-Defined Iron Sites in Crystalline Carbon Nitride

Carbon nitride materials can be hosts for transition metal sites, but Mössbauer studies on iron complexes in carbon nitrides have always shown a mixture of environments and oxidation states. Here we describe the synthesis and characterization of a crystalline carbon nitride with stoichiometric iron sites that all have the same environment. The material (formula C 6 N 9 H 2 Fe 0.4 Li 1.2 Cl, abbreviated PTI/FeCl 2 ) is derived from reacting poly(triazine imide)·LiCl (PTI/LiCl) with a low-melting FeCl 2 /KCl flux, followed by anaerobic rinsing with methanol. X-ray diffraction, X-ray absorption and Mössbauer spectroscopies, and SQUID magnetometry indicate that there are tetrahedral high-spin iron(II) sites throughout the material, all having the same geometry. As a result, the material is active for electrocatalytic nitrate reduction to ammonia, with a production rate of ca. 0.1 mmol cm –2 h –1 and Faradaic efficiency of ca. 80% at −0.80 V vs RHE.

Anions↗
DOE OSTI2025

Customizable wave tailoring nonlinear materials enabled by bilevel inverse design

Abstract Passive wave transformation via nonlinearity is ubiquitous in settings from acoustics to optics and electromagnetics. It is well known that different nonlinearities yield different effects on propagating signals, which raises the question of “what precise nonlinearity is the best for a given wave tailoring application?” In this work, considering a one-dimensional spring-mass chain connected by polynomial springs (a variant of the Fermi-Pasta-Ulam-Tsingou system), we introduce a bilevel inverse design method which couples the shape optimization of structures for tailored constitutive responses with reduced-order nonlinear dynamical inverse design. We apply it to two qualitatively distinct problems—minimization of peak transmitted kinetic energy from impact, and pulse shape transformation—demonstrating our method’s breadth of applicability. For the impact problem, we obtain two fundamental insights. First, small differences in nonlinearity can drastically change the dynamic response of the system, from severely under- to outperforming a comparative linear system. Second, the oft-used strategy of impact mitigation via “energy locking” bistability can be significantly outperformed by our optimal nonlinearity. We validate this case with impact experiments and find excellent agreement. This study establishes a framework for broader passive nonlinear mechanical wave tailoring material design, with applications to computing, signal processing, shock mitigation, and autonomous materials.

Science & Technology - Other Topics↗
DOE OSTI2026

Requirements Description of VARPOW

This report presents the modeling and simulation capabilities of Argonne National Laboratory’s VARPOW code that is used in present reactor analysis activities. These capabilities will then be used to establish the set of VARPOW verification tasks necessary to verify VARPOW for usage on commercial projects. A similar approach was taken for the PERSENT, REBUS and DIF3D software packages.

Ramey, Kyle [Argonne National Laboratory (ANL), Ar↗
DOE OSTI2026

Direct Observation of Vortex Liquid Droplets in the Iron Pnictide Superconductor CaKFe 4 As 4 at 0.5T c

Type-II superconductors under magnetic fields remain in a quantum-coherent, non-dissipative state as long as vortices are pinned. Dissipation emerges when vortices depin, a process often driven by thermal fluctuations and commonly associated with a melting transition from a vortex solid to a vortex liquid. Macroscopic experiments almost always observe this transition close to the superconducting critical temperature 𝑇 𝑐 . However, how the vortex solid responds to thermal fluctuations at the scale of individual vortices, far below the melting transition, remains largely unexplored. Here, we use scanning tunneling microscopy (STM) to directly visualize vortices in the iron-based superconductor CaKFe 4 ⁢As 4 (𝑇 𝑐 ≈35 K ). We observe the formation of vortex liquid droplets—spatially localized regions where vortices exhibit strong thermal fluctuations—at temperatures as low as 0.5 𝑇 𝑐 . These results demonstrate that the onset of dissipation at the local scale occurs at temperatures significantly below 𝑇𝑐 in type-II superconductors, revealing a previously unrecognized regime of vortex dynamics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

A quantitative imaging framework for lithium morphology: Linking deposition uniformity to cycle stability in lithium metal batteries

Characterizing the morphology of lithium (Li) is crucial for developing long-lasting lithium metal batteries. It is well established that more uniform Li deposition correlates with better cell performance. Li morphology is often characterized through qualitative analysis of scanning electron microscopy (SEM) images; however, there are no widely accepted metrics to quantitatively describe deposition uniformity. Here, we propose a framework to quantify uniformity through SEM image analysis via the index of dispersion (ID) metric, which is defined and presented in the context of Li metal batteries. We also explore experimental impacts of sampling protocols onIDmeasurements. Our results demonstrate that theIDmetric is highly sensitive to variations in deposition uniformity, including the coexistence and uniformity of multiple morphologies, uniformity within a single morphology, and particle size distribution uniformity. Furthermore, it is demonstrated that uniformity, as measured by theID, can be related to the average potential of Li||Li symmetric cells over cycling. Higher capacity cycling leads to more pronounced changes in bothIDand average cell potential. Local minima/maxima are found consistently in bothIDand average cell potential immediately before cells short-circuit, which we suggest may indicate a collapse of the microstructure prior to failure. We put forward this framework as a more robust approach to quantify Li deposition uniformity, advancing the development of Li metal batteries that are safer and longer lasting.

Science & Technology - Other Topics↗
DOE OSTI2024

Temperature-dependent spin dynamics in Cr 2 O 3

Cr 2 ⁢O 3 emerges as a prominent candidate material for spintronics and magnetoelectronic applications. However, a comprehensive understanding of its temperature-dependent spin dynamics remains elusive, impeding the engineering of novel spintronics based on this material. Here, we delve into this through a combination of inelastic neutron scattering experiments and atomistic simulations. Our results unveiled the emergence of paramagnons above and below 𝑇 𝑁 . We demonstrated a significant softening of linear magnons upon heating in the antiferromagnetic state. Further analysis revealed that this softening primarily originated from four-magnon interactions, while thermal expansion played a minor role.

antiferromagnetism↗
DOE OSTI2026

Optical transparency of LiF (100) shock compressed to ∼360 GPa

High-purity [100] lithium fluoride (LiF) is the most widely used optical window in dynamic compression experiments due to its wide bandgap and well-characterized mechanical response. Recent plate-impact experiments established the [100] LiF Hugoniot to ∼230 GPa and demonstrated shock-induced melting onset at 182 GPa with complete melting by 195 GPa; theoretical models predict LiF optical transparency to nearly 900 GPa. To experimentally examine the optical transparency of [100] LiF at higher pressures and in the liquid state, laser-driven shock experiments were performed at peak stresses ranging from 223 to 363 GPa. Optical response was examined by measuring the particle velocity histories at the Kapton/LiF interface using laser interferometry at 532 and 1550 nm wavelengths; in-material particle velocities were obtained using established refractive-index corrections. Continuous photonic Doppler velocimetry fringes were observed across the entire stress range, demonstrating that LiF remains transparent to 1550 nm light throughout the multi-megabar regime investigated. At 532 nm, fringe visibility depended on the reflector coating: aluminum mirrors provided signals to ∼235 GPa, while gold mirrors extended this limit to 270.5 GPa, indicating that the shorter-wavelength response is likely sensitive to experimental configuration rather than to the loss of LiF transparency. Continued optical transparency to at least 360 GPa indicates that shock-melted LiF does not display bandgap closure over the stress range explored. Furthermore, these results provide direct experimental constraints on the high-pressure optical response and establish LiF (100) as a robust optical window material for laser-driven dynamic compression experiments approaching 400 GPa.

Renganathan, P. [Argonne National Laboratory (ANL)↗
DOE OSTI2026

Stoichiometric effects on grain growth in zirconium carbide coatings for high-temperature nuclear fuel

Interest in coated particle fuel for space nuclear propulsion (SNP) has expanded in recent years due to successful demonstrations of the resiliency of the coatings to extreme environments. For SNP applications, the coating layer for the particle design needs to be able to withstand exposure to high temperature hydrogen during operating conditions. ZrC has been proposed as a protective layer, however, it is important to understand the high temperature behavior to ensure adequate protection to this fuel. In this study, surrogate ZrC coated particles were heat treated at 1900 °C up to 300 min, to examine how the microstructure evolves when exposed to high temperature. Scanning electron microscopy and electron backscatter diffraction (EBSD) were conducted to determine grain size and grain boundary character and orientation to determine the degree of change in the ZrC layer post heat treatment. Raman spectroscopy provided insight to understand how the as-fabricated stoichiometry of each sample contributed to the differences in grain growth behavior. Despite the as-fabricated samples showing a similar initial grain size and grain boundary character, the samples with a higher amount of excess carbon exhibited smaller grain areas and slower growth rates when exposed to 1900 °C. In conclusion, this investigation details the as-fabricated microstructure of the ZrC layer, specifically grain size, evolved under high temperature as this can impact the performance of the fuel under operating conditions.

EBSD↗
DOE OSTI2025

Electrocatalytic grafting of polyvinyl chloride plastics

Polyvinyl chloride (PVC) plastics require high loadings of plasticizers and stabilizers to achieve commercially useful bulk properties. However, these non-covalent additives leach from PVC over time, resulting in the loss of their tailored functionality. This work details the electrocatalytic functionalization of PVC to covalently graft plasticizing additives directly onto the polymer backbone. Here, mechanistic insights guided the design of electrocatalysts capable of modifying C–Cl bonds of PVC under mild conditions with high selectivity while suppressing side reactions such as elimination and chain scission. Functional groups that mimic PVC plasticizers are covalently installed into the backbone of PVC to create new materials with distinct bulk properties from the original polymer. The degree of polymer grafting is easily controlled by simply changing the redox capacity that is passed during electrolysis. This strategy is employed to create chemically- and leach-resistant PVC materials by directly electrolyzing mixtures of consumer PVC products

Zackasee, Jordan L.S.↗