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Results for “29 - ENERGY PLANNING, POLICY AND ECONOMY”

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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1,694 records · Page 58
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Graphitization of banana peel – synergistic effect of Ca and other elements of the biomass on carbon structure transformation

Recently, growing interest has been observed in using calcium as an effective catalyst for graphitizing disordered carbon materials derived from biomass and bioprecursors, such as cellulose and lignin, at relatively low tem peratures (<2000 °C). Herein, it is demonstrated that in the presence of elements such as calcium, silicon, sulfur, and potassium, which are abundant in banana peel composed of cellulose and lignin base, graphitization occurs much more effectively. The addition of external calcium source, in the form of calcium carbonate, to the banana peel-derived carbon and heat-treatment of the mixture under protective atmosphere up to 1750 °C results in a significant increase in the degree of the graphitization order and local formation of graphite crystals, whereas the same preparation and heat-treatment procedure applied to carbon material derived from pristine cellulose does not lead to such effective graphitization. It is indicated that the graphitization of banana peel carbon occurs due to the synergistic effect of the external Ca-based catalyst and the internal elements present in the raw biomass, supporting the transformation of the disordered graphene-like layers into graphitic structures. These findings are important for the future production of green graphite from biomass

09 BIOMASS FUELS↗
DOE OSTI2026

A Multicopper Oxidase from Paenibacillus Polyethylenelyticus JNU01 Oxidizes Polyethylene

Polyethylene (PE) is a widely used plastic that persists in the environment and resists breakdown via microbial degradation. In this work, we discovered a new bacterium, Paenibacillus polyethylenelyticus JNU01, that grows on a PE-like wax (PELW, 4 kDa) as its sole carbon source, causing chemical modifications to the substrate and releasing small-molecule products. Genomic and transcriptomic analyses identified a multicopper oxidase (PpMmcO) as a key enzyme candidate for this observed activity. PpMmcO promoted surface oxidation, increased hydrophilicity, and the release of small-molecule products such as ketones, alkanes, and alkenoic acids. Scanning electron microscopy confirmed surface damage on both PELW and post-use greenhouse PE films. Weight loss analysis showed mass losses of 5.2% for the PELW powder and 1.6% for the greenhouse PE film after treatment with wild-type PpMmcO. We propose a radical-mediated pathway catalyzed by PpMmcO. These findings identify a new bacterium and enzyme capable of promoting partial PE oxidation and provide insight into biological processes that may act on polyethylene.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Synthesis and Characterization of Soy Hull Biochar-Based Flexible Polyurethane Foam Composites

Flexible polyurethane foams are a diverse class of materials encompassing furniture, packaging, automotive, and many other industrial and domestic applications. Polyurethane foams are synthesized by the addition of polyols and isocyanates; however, the petroleum origin and toxic nature of isocyanates have driven many to look for more sustainable routes to production. Renewable fillers have emerged as a biobased resource to decrease the carbon footprint of this widely used polymeric material. In this study, soy hulls, as mass-produced, industrial by-products of soybean production, were used to create a biochar beneficial in the synthesis of flexible polyurethane foam composites. The addition of soy hull biochar was found to maintain the compression properties of foams at a decreasing isocyanate index, reducing the amount of isocyanates needed for production. In addition, the addition of biochar decreased the flammability of foams, important for many applications where consumer safety is important. The results point to the ability to create safer, more sustainable, and even more cost-effective polyurethane foams through the reduction in isocyanate use while maintaining the properties of this important class of polymers.

Chemistry↗
DOE OSTI2026

Effect of Thermodynamic and Environmental Factors on Crystallization of DNA‐Origami Superlattices

The directed self‐assembly of nanoscale materials into ordered superlattices presents a powerful strategy for creating next‐generation materials with programmable mechanical, optical, and photonic properties. Deoxyribonucleic acid (DNA) origami has emerged as a versatile scaffold for encoding nanoscale geometry and guiding the crystallization of complex 3D architectures. However, a systematic understanding of the parameters that govern the efficiency and quality of superlattice formation remains limited. In this study, we utilize octahedral DNA nanoscale frames as a model system to investigate the relative influence of key factors, including buffer composition, ionic strength, frame concentration, and thermal annealing protocols, on the size, order, and reproducibility of the resulting superlattices. Our findings provide a quantitative framework to rationally optimize DNA‐based assembly pathways. Structural characterization via small‐angle x‐ray scattering (SAXS), scanning electron microscopy (SEM), and optical microscopy validates the quality and fidelity of the assembled lattices. Moreover, by templating these DNA frameworks into inorganic replicas, we establish general design principles that extend beyond biomolecular systems, providing a foundation for the synthesis of programmable materials in broader nanofabrication contexts.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2026

Crustal Deformation and Gravitational Effects From Dynamic Ocean Mass Redistribution Impact Projected Sea‐Level Change

As the climate warms, associated changes in ocean dynamics will redistribute sea‐water mass within the ocean, contributing to relative sea‐level change. This mass redistribution will cause additional sea‐level changes due to gravitational self‐attraction, deformation of the solid Earth, and shifts in the Earth's rotation axis (GRD), which are not incorporated in sea‐level projections. Using CMIP6 climate model output, we quantify relative sea‐level changes induced by GRD from ocean‐dynamic mass loading through 2100. These effects act to amplify projected ocean‐dynamic sea‐level patterns, causing sea‐level rise in coastal regions, particularly along wide continental shelves and at high latitudes. On average, the magnitude of such GRD‐induced sea‐level change is equivalent to ∼15% of the signal due to dynamic ocean mass redistribution. Although our results show substantial inter‐model spread, they reveal that GRD‐induced relative sea‐level changes from ocean mass redistribution represent a non‐negligible component of regional sea‐level change and should be considered in projections.

58 GEOSCIENCES↗
DOE OSTI2025

Chromium versus Aluminum: Impact of Nickel Alloy Composition and Interfacial Kinetics on High-Temperature Passivating Oxide Formation

High-temperature corrosion resistance depends critically on the formation of a passivating surface oxide, which is highly sensitive to alloy composition and structure. Such details often elude experimental investigation, and simplified analytical models fail to provide a truly chemical view of passivating oxide evolution. Here, we explicitly compare the fundamental chemistry of Cr and Al as prototypical passivating elements in Ni alloys by directly simulating competing reaction and diffusion processes within the oxide film using kinetic Monte Carlo and density functional theory. We find that the origin and expression of passivating behavior during early-stage thermal oxidation are qualitatively different between the two alloy systems. Ni–Cr alloys feature a sudden onset of passivation associated with a sharp phase transition upon Cr enrichment that directly couples oxidation kinetics to phase transformation behavior. In contrast, Ni–Al alloys display more continuous oxide phase variation with Al enrichment, ultimately resulting in a lower composition threshold for passivation and a thinner passivating layer. In addition, we elucidate the nonobvious role of metal exchange within the alloy near the oxide boundary, which fundamentally alters film composition and passivating behavior. Furthermore, our results have key implications for engineering improved corrosion-resistant alloys, both in terms of compositional variation and processing.

Alloys↗
DOE OSTI2024

A Quantitative Phase Analysis by Neutron Diffraction of Conventional and Advanced Aluminum Alloys Thermally Conditioned for Elevated-Temperature Applications

As the issue of climate change becomes more prevalent, engineers have focused on developing lightweight Al alloys capable of increasing the power density of powertrains. The characterization of these alloys has been focused on mechanical properties and less on the fundamental response of microstructures to achieve these properties. Therefore, this study assesses the quality of the microstructure of two high-temperature Al alloys (A356 + 3.5RE and Al-8Ce-10Mg), comparing them to T6 A356. These alloys underwent thermal conditioning at 250 and 300 °C for 200 h. Time-of-flight neutron diffraction experiments were performed before and after conditioning. The phase evolution was quantified using Rietveld refinement. It was found that the Si phase grows significantly (13–24%) in T6 A356, A356 + 3.5RE, and T6 A356 + 3.5RE alloys, which is typically correlated with a reduction in mechanical properties. Subjecting the A356 3.5RE alloy to a T6 heat treatment stabilizes the orthorhombic Al4Ce3Si6 and monoclinic β-Al5FeSi phases, making them resistant to thermal conditioning. These two phases are known for enhancing mechanical properties. Additionally, the T6 treatment reduced the vol.% of the cubic Al20CeTi2 and hexagonal ᴨ-Al9FeSi3Mg5 phases by 13% and 23%, respectively. These phases have detrimental mechanical properties. The Al-8Ce-10Mg alloy cubic β-Al3Mg2 phase showed significant growth (82–101%) in response to conditioning, while the orthorhombic Al11Ce3 phase remained stable. The growth of the beta phase is known to decrease the mechanical properties of this alloy. These efforts give valuable insight into how these alloys will perform and evolve in demanding high-temperature environments.

Chemistry↗
DOE OSTI2026

Discovery of magnetic-field-tunable density modulations and spin tilting in a layered altermagnet

Altermagnets recently emerged as a new class of magnetic materials, arising from specific spin crystal symmetries. They exhibit a spin-polarized electronic band structure similar to ferromagnets, yet possess zero net magnetization, promising exotic properties. Here we study a layered triangular lattice altermagnet, cobalt-intercalated NbSe 2 using scanning tunneling microscopy and spectroscopy (STM/S). Spectroscopic-imaging STM and spin-polarized STM reveals emergent 2 a 0 tri-directional charge and spin density modulations on the selenium surface. Density functional theory simulations suggest these modulations reflect the underlying cobalt superstructure. We discover that an out-of-plane magnetic field tunes the modulation amplitudes and the electronic density-of-states in a manner dependent on the field direction and strength. This behavior is attributed to the field-induced tilting of cobalt spins, which can have profound implications on the electronic properties of the altermagnet. Our results provide atomic-scale insights to uncover a magnetic-field tunable altermagnetic band structure, highlight the importance of understanding spin canting in altermagnets.

condensed-matter physics↗
DOE OSTI2026

Modeling a generic TRISO-fueled heat pipe microreactor using SCALE: Depletion, transportation criticality, and shielding

This paper demonstrates the applicability of the SCALE code system to tristructural-isotropic (TRISO)-fueled heat pipe microreactors through depletion, transportation criticality, and shielding analyses of a generic reference design. The study conducted supports US Nuclear Regulatory Commission code readiness efforts for advanced non–light-water reactor technologies and is intended as a code capability demonstration rather than as an optimization of a specific microreactor design. The modeled reactor employs high-assay low-enriched uranium (HALEU) uranium oxycarbide (UCO) TRISO fuel and beryllium oxide (BeO) reflectors and operates at 7.5 MWth with a nominal lifetime of about 3 effective full power years. Representative cases for fresh and irradiated cores were selected to exercise SCALE methods relevant to reactor operation and post-irradiation transport. The discharged-core decay heat is approximately 6% of operating power immediately after shutdown. Transportation criticality calculations show that internal water ingress is the dominant reactivity effect, with fully flooded fresh core and irradiated core configurations remain above the subcriticality criterion, even with the available control mechanisms. Shielding calculations for a simplified transportation package indicate that normal-condition dose rates are governed mainly by shielding thickness and cooling time, whereas the breached hypothetical accident case is governed primarily by cooling time. Overall, the study shows that SCALE supports depletion, transportation criticality, and shielding evaluations efficiently for TRISO-fueled heat pipe microreactors within a single code system.

Criticality↗
DOE OSTI2018

Tracing Phase Transformation and Lattice Evolution in a TRIP Sheet Steel under High-Temperature Annealing by Real-Time In Situ Neutron Diffraction

Real-time in situ neutron diffraction was used to characterize the crystal structure evolution in a transformation-induced plasticity (TRIP) sheet steel during annealing up to 1000 °C and then cooling to 60 °C. Based on the results of full-pattern Rietveld refinement, critical temperature regions were determined in which the transformations of retained austenite to ferrite and ferrite to high-temperature austenite during heating and the transformation of austenite to ferrite during cooling occurred, respectively. The phase-specific lattice variation with temperature was further analyzed to comprehensively understand the role of carbon diffusion in accordance with phase transformation, which also shed light on the determination of internal stress in retained austenite. These results prove the technique of real-time in situ neutron diffraction as a powerful tool for heat treatment design of novel metallic materials.

Yu, Dunji [ORNL] (ORCID:0000000189467851)↗
DOE OSTI2025

Generalized geometric speed limits for quantum observables

Leveraging quantum information geometry, we derive generalized quantum speed limits on the rate of change of the expectation values of observables. These bounds subsume and, for Hilbert space dimension ≥3, tighten existing bounds—in some cases by an arbitrarily large multiplicative constant. Our theoretical results are supported by illustrative examples and an experimental demonstration using a superconducting qutrit. We also derive two upper bounds on the generalized quantum Fisher information in terms of the condition number of the density matrix. One of these bounds applies only to coherent dynamics and depends also on the variance of the Hamiltonian. The other bound depends also on the so-called Wigner-Yanase skew information. These bounds generalize well-known bounds on the symmetric logarithmic derivative quantum Fisher information and are tighter than the existing bounds for sufficiently mixed states (e.g., for sufficiently high temperature thermal states).

open quantum systems & decoherence↗
DOE OSTI2026

Final Technical Report for DE-SC0022206

This project developed foundational genetic, genomic, and epigenetic tools for anaerobic fungi (Neocallimastigomycota), a group of microorganisms with exceptional natural abilities to deconstruct lignocellulosic biomass. Efficient biomass deconstruction remains a major barrier to economical production of renewable fuels, chemicals, and materials from agricultural and forestry residues. The project sought to enable mechanistic studies and future engineering of anaerobic fungi by improving genomic resources, establishing methods for gene expression, and investigating epigenetic regulation of biomass-degrading pathways. Major accomplishments included generation of the first chromosome-scale genome assemblies for multiple anaerobic fungal species, providing publicly available genomic resources that support both engineering and fundamental biological research. The project established the first reproducible system for heterologous gene expression in anaerobic fungi and identified genomic features and mobile genetic elements that may support future development of stable transformation technologies. In parallel, the project demonstrated direct conversion of untreated lignocellulosic biomass into fuels and specialty chemicals through a fungal-yeast bioprocess and identified anaerobic fungal enzymes with utility for metabolic engineering. The research also revealed that epigenetic regulation plays an important role in controlling fungal gene expression and enzyme production, identifying potential strategies for enhancing biomass degradation. Collectively, this work established anaerobic fungi as a tractable emerging platform for bioenergy and biomanufacturing research, generated valuable public resources, trained the next generation of researchers, and advanced DOE-BER goals related to predictive biology, sustainable bioprocessing, and the circular bioeconomy.

Solomon, Kevin [University of Delaware] (ORCID:000↗
DOE OSTI2026

Chronology of ungrouped achondrites Northwest Africa 11119 and 7325/8486: implications for early evolution of a heterogeneous crust on a differentiated planetesimal

The chronology of ungrouped achondrites provides key insights into the timeline of igneous activity in the early Solar System. Two ungrouped achondrites – Northwest Africa (NWA) 11119 (andesite-dacite) and NWA 8486 and its pair NWA 7325 (olivine gabbro) – are the focus of this study, where their chronologies are investigated using multiple high-resolution techniques. Here we report the lead-lead (207Pb-206Pb) and manganese-chromium (53Mn-53Cr) systematics of NWA 11119, as well as the 207Pb-206Pb systematics of NWA 8486 alongside aluminum-magnesium (26Al-26Mg) systematics for NWA 7325. The U-corrected 207Pb-206Pb ages of NWA 11119 and the combined ages of NWA 7325/8486 are 4566.4 ± 0.8 Ma and 4563.8 ± 1.9 Ma, respectively. Additionally, we report the 53Mn-53Cr age of NWA 11119 to be 4564.4 ± 2.5 Ma and the 26Al-26Mg age of NWA 7325/8486 to be 4563.1 ± 0.3 Ma. The formation of NWA 11119 requires partial melting of a (likely chondritic) source reservoir leading to eruption of Si rich, alkali depleted magmas, while NWA 7325/8486 likely formed from a chemically fractionated reservoir with superchondritic Al/Mg. The clear geochemical and isotopic similarities of these achondrites, combined with the chronology reported here, is suggestive of formation of these two ungrouped achondrites on a common parent body which likely formed in the inner Solar System and experienced early differentiation under reducing conditions. If these achondrites did share a parent body, it would suggest that primary asteroids in the early Solar System commonly produced mineralogically and geochemically heterogeneous crusts. While mineralogical and geochemical heterogeneity is known to exist in the (mostly mafic) crust of asteroid Vesta, our findings show that even more significant crustal heterogeneity (representing felsic and mafic compositions) may exist on other asteroids.

Cartwright, Julia [University of Leicester, UK]↗
DOE OSTI2025

Multi-Ion Complexes and Competition from Bulky BArF – Anions for Chloride Binding in Ion Pairing Conditions

Cationic charges have long been used to enhance anion binding. Embedding charge introduces strong ion pairing for target anions but also for off-target ions, ultimately generating a mixture of multi-ion species that are hard to identify and quantify. While many sidestep this problem using polar solvents and weakly coordinating ions, these approaches exclude a substantial cross-section of conditions found in applications spanning recognition, assembly, separations, templation, and catalysis. To confront this complexity, we study the binding of an anion to a cationic receptor featuring low shape complementarity in a low-polarity solvent to maximize ionic interactions. We prepared the receptor as a salt of the weakly coordinating tetrakis­[3,5-bis­(trifluoromethyl)­phenyl]­borate (BArF – ) anion and studied the binding of small chloride (Cl – ) and medium-sized iodide (I – ) anions. Surprisingly, the use of the bulky BArF – anion does not suppress ion pairing interactions, with 65% of the receptor being paired at 0.5 mM in dichloromethane. We observe multi-ion receptor-Cl – complexes (2:1, 1:1, 1:2), reinforcing the complexity that emerges when working in low-polarity media. Here, we reveal the dependence of affinity on anion charge density and size and that bulky BArF – counteranions compete for chloride binding. These studies reveal the noninnocence of BArF – anions and strategies to quantify multi-ion species.

Ion pairing↗
DOE OSTI2024

Chiral kinematic theory and converse vortical effects

Response theories in condensed matter typically describe the response of an electron fluid to external electromagnetic fields, while perturbations on neutral particles are often designed to mimic such fields. Here, we study the response of fermions to a space-time-dependent velocity field, thereby sidestepping the issue of gauge charge. First, we use a semiclassical chiral kinematic theory to obtain the local density of current and extract the orbital magnetization. The theory immediately predicts a "converse vortical effect," defined as an orbital magnetization driven by linear velocity. It receives contributions from magnetic moments on the Fermi surface and the Berry curvature of the occupied bands. Then, transcending semiclassics via a complementary Kubo formalism reveals that the uniform limit of a clean system receives only the Berry curvature contribution while other limits sense the Fermi surface magnetic moments too. We propose CoSi as a candidate material and suggest magnetometry of a sample under a thermal gradient to detect the effect. Overall, our study sheds light on the effects of a space-time-dependent velocity field on electron fluids and paves the way for exploring quantum materials using new probes and perturbations.

Chen, Kai [University of Houston]↗
DOE OSTI2026

Predicting Atomistic Transitions with Transformers

Accurate knowledge of the atomistic transition pathways in materials and material surfaces is crucial for many material science problems. However, conventional simulation techniques used to find these transitions are extremely computationally intensive. Even with large-scale, accelerated material simulations, the computational cost constrains the applicable domain in practice. Machine learning models, with the potential to learn the complex emergent behaviors governing atomistic transitions as a fast surrogate model, have great promise to predict transitions with a vastly reduced computational cost. Here, we demonstrate how transformers can be trained to predict atomistic transitions in nano-clusters. We show how we evaluate physical validity of the predictions and how a multitude of additional, different microstates can be generated by slightly varying the data provided to the model.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Synthesis and application of thermally responsive nanofiber coatings for overtemperature monitoring

This study presents a one-pot synthesis route to organometallic nanofibers based on copper thiolate, exhibiting distinctive chemical and physical characteristics. Electron microscopy analysis of morphology and composition revealed 2-10 μm-long, 50-90 nm-diameter hollow and non-hollow fibers composed of copper, sulfur, oxygen, hydrocarbon, and chlorine. Thermogravimetric analysis showed a pronounced mass loss within 120°C-135°C. To elucidate the thermal responsive pathways, the nanofibers were characterized before and after heating. X-ray photoelectron spectroscopy indicates that an initially mixed Cu(I)/Cu(II) oxidation states transition to predominantly Cu(I) upon heating. A layer of nanofiber was coated on battery pouch foil and evaluated as a candidate thermally sensitive coating. At elevated temperature (100-130°C), nanofiber coating released volatile organic compounds, sulfide and sulfur dioxide as detected using multiple gas sensors. This thermally responsive gas release/sensing approach provides a potential large-area temperature monitoring strategy, which is particularly relevant where direct temperature measurements of individual batteries is impractical. The results established proof of concept for nanofiber-coated battery pouch foil as overtemperature warning platform that can provide alerts when surface temperatures exceed a critical threshold. More broadly, the ability to form interconnected fiber networks positions copper thiolate nanofiber coatings as promising materials for advanced applications.

Ihala Gamaralalage, Chanaka [ORNL] (ORCID:00000002↗