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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 OSTI2024

Precision Computations in Strongly Coupled Conformal Field Theories (Final Technical Report)

Conformal Field Theories (CFTs) are quantum field theories that are invariant under the conformal symmetry group (which includes translations and rotations, but also local rescalings of spacetime). They are building blocks of general quantum field theories, and appear in many areas of physics, including statistical physics, condensed matter physics, particle physics, and quantum gravity. Because of their extra symmetries, the mathematical structure of CFTs is tightly constrained, and this leads to the idea of the ``conformal bootstrap," which is to use these mathematical structures to constrain, and in some cases determine, CFT observables. A new numerical implementation of the conformal bootstrap idea appeared in 2008 with the work of Rattazzi, Rychkov, Tonni, and Vichi. Their observation was that certain bootstrap constraints (conformal symmetry and unitarity) could be combined to yield a convex optimization problem that constraints CFT data. By solving this convex optimization problem on a computer, one could obtain bounds on observables like critical exponents and operator product expansion (OPE) coefficients. Over the course of this award, the PI has improved numerical bootstrap techniques by optimizing known algorithms and finding new ones for performing the required convex optimization computations. The PI has applied these techniques to compute high-precision observables in several important strongly-coupled systems. The PI has also explored both analytical and numerical bootstrap methods for constraining the space of low energy effective field theories of quantum gravity, and developed new analytical techniques for CFT and QFT more broadly.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Using interfaces to: create strongly-coupled magnetic-ferroelectrics

Starting at the level of electrons and atoms our long-term goal is to rationally design complex oxide heterostructures and interface-materials with targeted emergent behaviors. This is not a matter of simply optimizing material parameters, but rather begins with understanding a mechanism to control the interplay between the diverse microscopic degrees of freedom prevalent in complex oxides in order to create targeted macroscopic phenomena and ends with the design of new material realizations. These realizations are in turn created with atomic-layer precision, structurally assessed to see that they are the intended realization, and finally their relevant properties are measured. During this program we have developed the scientific ideas necessary to apply this materials-by-design paradigm to the creation of materials offering electrical control of magnetism. At the heart of our approach lies a partnership between theory, synthesis, and characterization. These are the areas of expertise of the three co-PIs, who have worked closely together since their arrival at Cornell. During this project bold ideas on where to put the atoms to provide electrical control of magnetism were met with the latest methods of synthesis science and electron microscopy in an attempt create targeted new multiferroics. Our work applying this materials-by-design methodology to multiferroics has enjoyed multiple successes. The Co-PIs have invented new mechanisms for multiferroics, which provide strong coupling between polarization and magnetism, and reduced them to practice. Specifically, we pioneered multiferroics based on spin-phonon coupling, rotation-driven multiferroicity, and novel geometric multiferroics. Importantly, the latter two of these mechanisms enable the deterministic switching of magnetism by an applied electric field, which is key to the application of multiferroics to future device technologies. Most recently, we performed detailed theoretical analysis on a system involving the combination of magnetoelectric and colossal magnetoresistance behaviors and predict that electrical control of a metal-insulator transition is possible in appropriately strained SmBaMn2O6. The research enabled by this grant led to 63 publications in leading refereed journals including Nature, Nature Materials, Physical Review Letters, and Advanced Materials demonstrating a materials-by-design paradigm to the creation of materials offering electrical control of magnetism.

36 MATERIALS SCIENCE↗
DOE OSTI2024

WETO Software Stack Best Practices

Wind energy researchers typically share one key characteristic: a passion for increasing wind energy in the global energy mix. The U.S. Department of Energy (DOE) supports this mission in a number of ways including allocating funding directly to various aspects of wind energy research through the Office of Energy Efficiency and Renewable Energy (EERE) via the Wind Energy Technologies Office (WETO). While the traditional output of research is academic publication, software development efforts are increasingly a major focus. Software tools in the research environment allow researchers to describe an idea and quickly increase the scope and scale as they study it further. As a product of research, these tools represent a direct pipeline from researcher to industry practitioners since they are the implementation of ideas described in academic publications. Given this vital role in wind energy research and commercial development, the broad research software portfolio supported by WETO must maintain a minimum level of quality to support the wind energy field in the growing transition to renewable energy. This report outlines a series o f best practices to be adopted by all WETO-supported software projects, as well as expectations that the communities interacting with these projects should have of the developers and tools themselves. Wind energy research software has a unique standing in the field of scientific software. The stakeholders are varied with a subset being: (1) DOE EERE leadership, (2) DOE WETO leadership and program managers, (3) National lab leadership, (4) Associated project principle investigators, (5) Research software engineers, (6) Wind energy researchers in academia (including graduate students, post docs, and national lab staff), (7) Industry researchers and practitioners, (8) Commercial software developers, and (9) The general public interested in wind energy. These software are typically the end-user of other generic software libraries, so the funding cycles are often tied to applied research rather than the development of the software itself. Since the developers are also wind energy researchers, these tools are typically designed in a way that closely resembles the application in which they're used. Additionally, the expertise and incentives for the developers have a high variability, and often neither are aligned with software engineering or computer science. Given the unique environment in which wind energy research software is produced and consumed, it is critical for model owners to understand the context of their software. A framework for developing this understanding is to answer the following questions of a given software project: What is it's purpose? What is its role in the field of wind energy? What is the profile of the expected users? For how long will it be relevant? What is the expected impact? These questions allow model owners to identify the appropriate methods for the design, development, and long term maintenance of their software. Additionally, the answer provide context for future planners to understand why particular decisions were made and discern the consequences of changing course. The information is aggregated from experience within WETO-supported software development groups as well as external organizations and efforts to define the craft of research software engineering. These best practices aim to make the collaborative development process efficient and effective while improving the model understanding across stakeholders. Additionally, the general adoption of a common framework for software quality ensures that the end users of WETO software can trust these tools and accurately understand the risks to workflow integration.

17 WIND ENERGY↗
DOE OSTI2025

LNPK 156 Geothermal Coalition: Designing and Deploying Clean Energy in a Justice40 Cold Climate Community

The LNPK 156 Geothermal Coalition formed around the idea of building a new geothermal heating and cooling system in Duluth, MN for the Lincoln Park Justice40 neighborhood. The Coalition has been spearheaded by the City of Duluth and the local non-profit Ecolibrium3, and is named after the census tract of the neighborhood containing large portions of Lincoln Park, as well as a wastewater treatment plant, managed by the Western Lake Superior Sanitary District (WLSSD). The idea of building a geothermal system came to fruition over the period of about a decade, with repeated observations that the warm water discharged from the wastewater treatment plant was an energy-rich resource that has currently been untapped and released into the St. Louis River. The objective of this project was to build a geothermal system that harnesses wastewater heat recovery methods and satisfies the demand in a portion of Lincoln Park – a neighborhood experiencing high energy burdens, low life-expectancy, and where the natural gas and fuel oil used to heat homes and businesses results in decreased air quality and increased carbon emissions. The goal was to utilize this wastewater heat recovery method to benefit the neighborhood hosting the wastewater plant itself.

15 GEOTHERMAL ENERGY↗
DOE OSTI2025

Neutron moderation at IPF

We discuss here the possibility of using the Isotope Production Facility (IPF) at LANSCE to test the feasibility and performance of a graphite cube to create a neutron target. The idea of a neutron target enables the measurement of neutron induced reactions in inverse kinematics. This idea is part of the LANSCE strategy to stay a worldwide leader for neutron-induced research. The proof of-principle is the core of the LDRD project 20240004DR. The first steps are a series of activation experiments with different neutron energy distributions. Figs. 1 and 2 show a graphite cube built and simulated from pieces available at LANSCE. First activation experiments have already been performed at lower neutron energies utilizing (p,n) reactions on Li and Be.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Euro-Deterrent: Analysis of Proposals for a European Nuclear Arsenal (CNSIS Paper)

The idea of a “Euro-deterrent”—a nuclear arsenal under European control and mandated to protect multiple European countries—has been proposed many times as a means for European self-defense independent of United States security guarantees under the North Atlantic Treaty Organization (NATO). This paper examines not only the concept’s multiple guises, but the reasons for their failure. It will address the idea of a Franco-British umbrella, a French umbrella, a European “pool”, and the nuclear arsenal of a hypothetical “united Europe”. Reasons for rejection largely fall into three categories: sovereignty concerns, credibility gaps, and a desire to preserve existing norms and structures. This paper concludes that the Euro-deterrent will likely remain only hypothetical unless the US unequivocally signals its intent to withdraw its nuclear umbrella from Europe, thereby forcing European countries to build a new defense arrangement.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2026

Temperature of a tungsten spallation target

We discuss the heat load inside a neutron spallation target made of tungsten hit by an 800 MeV proton beam. This problem is important for the Neutron Target project, where a spallation target will be surrounded by an extended graphite or beryllium cube to create a neutron target. The idea of a free-neutron target enables the measurement of neutron-induced reactions in inverse kinematics. This idea is part of the LANSCE strategy to stay a worldwide leader for neutron-induced research.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Quantum-Inspired Bayesian Sampling for Uncertainty Quantification and Machine Learning (Final Technical Report)

With increasing simulation and measurement data, machine learning and artificial intelligence have been widely used in computational decision-making of complex engineering systems. The resulting tools, such as uncertainty quantification solvers, reinforcement learning, and physics-informed machine learning, have achieved great success in critical DOE tasks such as material discovery and design, energy system modeling and control, and numerical weather and climate prediction. A core topic in scientific machine learning and artificial intelligence is Bayesian inference: given an observed data set, people want to estimate the posterior distribution of a (possibly large) number of hidden parameters. Due to the flexibility and weak assumptions, Bayesian sampling has been the mainstream Bayesian inference solvers despite the rapid progress of approximate Bayesian inference. Classical Bayesian sampling methods such as Markov-chain Monte Carlo suffer from a low-acceptance rate due to the random walk nature, therefore state-of-the-art techniques use Hamiltonian Monte Carlo and its variants to efficiently draw posterior samples in a high dimension. The key idea of Hamiltonian Monte Carlo and its variants is to simulate the Hamiltonian dynamics of a classical particle with a fixed mass, and their performance significantly degrades when the posterior distribution is highly spiky or has multiple modes. Leveraging the idea of quantum physics, this project has investigated new theory, algorithms and applications of Bayesian inference (especially Bayesian sampling). The main results include: (1) novel quantum-inspired Bayesian sampling methods that can lead to better accuracy for challenging multi-modal or spiky distributions, (2) more scalable machine learning framework leveraging tensor-compressed Bayesian inference, and (3) Bayesian and sampling approaches for verifying the robustness of continuous and binary neural networks.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Signal-to-background estimates for the inverse-kinematics 78 Kr(n,γ) experiment at LANSCE

The idea of a neutron target enables the measurement of neutron-induced reactions in inverse kinematics. This idea is part of the LANSCE strategy to stay a worldwide leader for neutron-induced research. The proof-of-principle experiment outlined in is the core of the LDRD project 20240004DR. The current approach is to use an ion source capable of accelerating single-charged ions up to about 60 keV. A beam of 78 Kr + ions will be created to interact with a neutron target and implanted. During the passage of the target, neutrons can be captured and the freshly produced 79 Kr + ions will be implanted along with the main beam.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Actuating Liquid Crystals Rapidly and Reversibly by Using Chemical Catalysis

Abstract Microtubules and catalytic motor proteins underlie the microscale actuation of living materials, and they have been used in reconstituted systems to harness chemical energy to drive new states of organization of soft matter (e.g., liquid crystals (LCs)). Such materials, however, are fragile and challenging to translate to technological contexts. Rapid (sub‐second) and reversible changes in the orientations of LCs at room temperature using reactions between gaseous hydrogen and oxygen that are catalyzed by Pd/Au surfaces are reported. Surface chemical analysis and computational chemistry studies confirm that dissociative adsorption of H 2 on the Pd/Au films reduces preadsorbed O and generates 1 ML of adsorbed H, driving nitrile‐containing LCs from a perpendicular to a planar orientation. Subsequent exposure to O 2 leads to oxidation of the adsorbed H, reformation of adsorbed O on the Pd/Au surface, and a return of the LC to its initial orientation. The roles of surface composition and reaction kinetics in determining the LC dynamics are described along with a proof‐of‐concept demonstration of microactuation of beads. These results provide fresh ideas for utilizing chemical energy and catalysis to reversibly actuate functional LCs on the microscale.

Chemistry↗
DOE OSTI2025

Strong Proton‐Phonon Coupling Drives Fast Ion Transport in Perovskites

Conduction of protons in solids is a cooperative process propelled by phonons, with molecular details obscured by the irregular movements in the thermal bath. It is shown that substitution with Y forms an imaginary phonon mode, instrumental for the function as proton conductor and effectively lowering the activation barrier for proton transport. To untangle the interplay in the exemplary proton conductor BaSn 0.9 Y 0.1 O 3 , its crystallographic structure is determined with high resolution neutron diffractometry and its phonon density of states with density functional theory calculations, experimentally validated by element specific nuclear resonant vibration spectroscopy. Based on phonon analysis, a quantitative transport model is present, which predicts the activation energy and performance by the ratio of ionic radii. Rather than individual vibrational modes, it is the oxygen sub-lattice which exerts its momentum on the protons. The extent of this momentum transfer is governed by the ratio of ionic radii. This model extends the transition state theory by the phonon-phonon interaction and complements the previously proposed idea that lattice dynamics is decisive for proton transport and specifies which properties of the material exactly define the vibration properties.

activation barriers↗
DOE OSTI2025

Altermagnetism in NiSi and Antiferromagnetic Candidate Materials with Non‐Collinear Spins

Recently, a new class of magnetic phenomenon, called altermagnetism, is proposed where the underlying spin configuration resembles antiferromagnetic structure, but the system violates PT (PT: Parity times Time reversal) symmetry due to the alternation of crystalline symmetry across magnetic ions. Although the original idea is proposed for the collinear spin structure, a recent report by Cheong et al. has suggested that antiferromagnetic materials with non-collinear spin structure and local alternation of crystalline arrangement can also manifest altermagnetism. Besides breaking the PT symmetry, altermagnetic compounds are also expected to exhibit anomalous Hall effects of odd orders. Here, possible candidates are discussed in this regard. One example is nickel monosilicide, which is recently shown to exhibit high temperature antiferromagnetism with non-collinear spin structure. It fulfills both criteria of breaking the PT symmetry and manifesting nonlinear anomalous Hall effect. In addition to NiSi, other potential antiferromagnetic materials are also discussed with non-collinear spin configuration for the exploration of altermagnetic states.

altermagnetism↗
DOE OSTI2026

The Relationship Between Catalyst and Solvent in Hydrogenation via Condensed Phase Heterogeneous Catalysis

To understand a system is to understand its components and their sum. Cascading interactions between catalyst, solvent, and reagent create a complex web of influences when heterogeneous catalysis meets the condensed phase. Due to the importance of heterogeneous catalysis in chemical manufacturing, and the present and growing potential of condensed phase chemistries, the understanding of these interactions is of paramount importance. To develop condensed phase heterogeneous catalysis, the field needs to develop understanding of the role of solvent in heterogeneous catalytic hydrogenation. While no small feat, fields such as biofuel and petroleum refining have established certain applicable generalities that can bridge the knowledge gap in emerging technologies such as integrated carbon capture and conversion to materials (IC 3 M). In this review, we thoughtfully probe the current paradigm of condensed phase catalysis by challenging the idea that catalyst and solvent are independent reaction design choices. Challenges such as lack of experimental stability studies and poor resolution on our conceptualization of the condensed phase environment are discussed. Parameters such as viscosity and the dielectric constant, and their role on reaction activity and stability are explored. Knowledge gained from established biomass and petroleum processes is discussed and used to anticipate behavior in novel processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Stock-specific spatial overlap among seabird predators and Columbia River juvenile Chinook Salmon suggests a mechanism for predation during early marine residence

Abstract Objective Because predation is thought to be the primary source of natural mortality for juvenile salmon first entering the ocean, we sought to identify regions where, on average, stock-specific spatial overlap between the distribution of threatened and endangered juvenile Chinook Salmon Oncorhynchus tshawytscha and abundant fish-eating seabirds (common murres Uria aalge and sooty shearwaters Ardenna grisea) suggests the greatest potential for ocean predation risk to juvenile Chinook Salmon. Methods The relative abundance and spatial distribution of seabird predators and juvenile Chinook Salmon were quantified as part of long-term ecosystem surveys during May 2003–2012 and June 2003–2022. Genetic stock identification methods were used to assign individual fish to their respective stock groups. Stock-specific species distribution models then generated maps and indices of average annual spatial overlap between predators and prey within the survey area. Result There is unequivocal evidence for spatial overlap between common murres, sooty shearwaters, and five genetic groups of interior and lower Columbia River juvenile Chinook Salmon. We found strongly positive (≥0.70) spatial correlations between predator and prey densities in both May and June, although spatial overlap was, in general, greater during May. The region of highest spatial overlap occurred on the inner continental shelf between the Columbia River mouth (46.2°N) and Grays Harbor (47.0°N), a region at the beginning of the juvenile salmon migratory pathway that is strongly affected by freshwater outflow from the river. Conclusion Our findings support the idea that ocean avian predation during early marine residence has the potential to affect marine survival of juvenile Chinook Salmon and should be further investigated to better inform and implement ecological models and possible recovery actions for Chinook Salmon populations of the Columbia River basin.

Zamon, Jeannette E.↗
DOE OSTI2026

Data‐Efficient Generation of Synthetic Microstructures of Polymer‐Bonded Energetic Material With Fine‐Tuned Stable Diffusion

Among current deep learning approaches for synthetic image generation, diffusion-based models stand out in terms of algorithmic stability and ability to retain high-fidelity image features with detailed resolution. Here, in this work, we employ Dreambooth, a method for fine-tuning Stable Diffusion, on X-ray CT images of microstructure of the polymer-bonded form (PBX) of a commonly used high explosive, Pentaerythritol tetranitrate (PETN), which yields generative models for creating synthetic PBX images. The models developed here represent five classes (or ‘lots’) of microstructures and demonstrate successful generation of images of each class with high fidelity, as verified by computed classification accuracy of ∼ 94% or higher. Data augmentation afforded by such image synthesis can be used to more reliably decipher underlying statistics, build processing-structure correlations, recognize off-normal structural anomalies, and identify age-related changes. Ideas related to converting image data into appropriate density mapping and performing mesoscale simulation or surrogate modeling of detonation are also discussed.

Dreambooth↗
DOE OSTI2024

A Difluoro‐Methoxylated Ending‐Group Asymmetric Small Molecule Acceptor Lead Efficient Binary Organic Photovoltaic Blend

Abstract Developing a new end group for synthesizing asymmetric small molecule acceptors (SMAs) is crucial for achieving high‐performance organic photovoltaics (OPVs). Herein, an asymmetric small molecule acceptor, BTP‐BO‐4FO, featuring a new difluoro‐methoxylated end‐group is reported. Compared to its symmetric counterpart L8‐BO, BTP‐BO‐4FO exhibits an upshifted energy level, larger dipole moment, and more sequential crystallinity. By adopting two representative and widely available solvent additives (1‐chloronaphthalene (CN) and 1,8‐diiodooctane (DIO)), the device based on PM6:BTP‐BO‐4FO (CN) photovoltaic blend demonstrates a power conversion efficiency (PCE) of 18.62% with an excellent open‐circuit voltage (V OC ) of 0.933 V, which surpasses the optimal result of L8‐BO. The PCE of 18.62% realizes the best efficiencies for binary OPVs based on SMAs with asymmetric end groups. A series of investigations reveal that optimized PM6:BTP‐BO‐4FO film demonstrates similar molecular packing motif and fibrillar phase distribution as PM6:L8‐BO (DIO) does, resulting in comparable recombination dynamics, thus, similar fill factor. Besides, it is found PM6:BTP‐BO‐4FO possesses more efficient charge generation, which yields betterV OC –J SC balance. This study provides a new ending group that enables a cutting‐edge efficiency in asymmetric SMA‐based OPVs, enriching the material library and shed light on further design ideas.

Chemistry↗
DOE OSTI2025

Identifying preferential flow from soil moisture time series: Review of methodologies

Abstract Identifying and quantifying preferential flow (PF) through soil—the rapid movement of water through spatially distinct pathways in the subsurface—is vital to understanding how the hydrologic cycle responds to climate, land cover, and anthropogenic changes. In recent decades, methods have been developed that use measured soil moisture time series to identify PF. Because they allow for continuous monitoring and are relatively easy to implement, these methods have become an important tool for recognizing when, where, and under what conditions PF occurs. The methods seek to identify a pattern or quantification that indicates the occurrence of PF. Most commonly, the chosen signature is either (1) a nonsequential response to infiltrated water, in which soil moisture responses do not occur in order of shallowest to deepest, or (2) a velocity criterion, in which newly infiltrated water is detected at depth earlier than is possible by nonpreferential flow processes. Alternative signatures have also been developed that have certain advantages but are less commonly utilized. Choosing among these possible signatures requires attention to their pertinent characteristics, including susceptibility to errors, possible bias toward false negatives or false positives, reliance on subjective judgments, and possible requirements for additional types of data. We review 77 studies that have applied such methods to highlight important information for readers who want to identify PF from soil moisture data and to inform those who aim to develop new methods or improve existing ones. Core Ideas Soil moisture data can be used to identify the occurrence of preferential flow (PF) and its initiating conditions. Various data‐analysis methods to identify PF differ in susceptibility to error, bias, and subjectivity. These methods can utilize vast amounts of data from soil moisture monitoring networks to develop understanding of when, where, and under what conditions PF occurs. Newly developed methods may lead to better accuracy and reliability, and reduce the need for subjective judgments. Plain Language Summary Preferential flow through soil occurs when a large amount of water is suddenly available, as during an intense storm. This type of flow moves rapidly through the soil in distinct narrow pathways rather than moving evenly throughout the body of soil, with major consequences for groundwater resources, ecosystems, spreading of contaminants, and other vital concerns. Methods of detecting preferential flow have been developed that utilize measurements of soil water content made by sensors installed at various depths. This measurement technology has been widely implemented, many locations now having datasets years in length, and various methods have been developed for using these to identify preferential flow. The various methods are based on different features in the soil moisture records and vary in their advantages and shortcomings. In this review, we explain and evaluate these methods, highlighting important information for their implementation to identify preferential flow from soil moisture data and for efforts to develop new methods or improve existing ones.

Nimmo, John R↗
DOE OSTI2025

Research Connections: Career and Research Journeys from the SMP Community. Association for Women in Mathematics Series

This book aims to provide perspectives on important questions that undergraduate and graduate students in mathematics ask themselves. Each chapter gives readers a taste of a different mathematician’s work, presented with enough background material that an advanced undergraduate or early graduate student can understand the key ideas of the research. Each mathematical contribution is prefaced by a short biography of the mathematician who wrote the chapter, to give the reader a connection to the author and provide examples of paths from undergraduate education, through graduate school and beyond.

mathematics, research, biographies↗