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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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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

An Educational Guide for 2D Stellar Structure Calculations of Rapidly Rotating Stars using the ESTER code

The Evolution STEllaire en Rotation (ESTER) code is the first 2D stellar structure code to be made open-source and freely available to the astronomy and astrophysics community. An important and novel advancement of this code is that it can reproduce the distorted shape and observable signatures (e.g., gravity darkening) of rapidly rotating stars. ESTER also calculates the steady-state large-scale flows within the star, namely their differential rotation and associated meridional circulation. In this report, we explore and document the physics implemented within version 1.1.0rc2 of the ESTER code, in a way that complements published descriptions. We illustrate this physics by plotting how stellar structure parameters vary through stellar interiors at a range of latitudes and at different angular velocities. We investigate how the thin convective envelopes of intermediate mass stars vary with latitude when rapidly rotating, becoming deeper and thicker near the equator. Simple comparisons of ESTER model predictions (e.g., central temperature and density, luminosity) with the output from the Modules for Experiments in Stellar Astrophysics (MESA) code [Paxton et al., 2010] shows generally good agreement. Additional comparisons provide important benchmarking and verification for ESTER as a comparatively young code. Finally, we provide a guide for installing and running the code on our local university cluster, aimed at helping students to begin work.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Selectable inlet for aircraft propulsion system heat exchanger

A propulsion system for an aircraft includes a propulsor rotor, an engine core, a housing, a flowpath and a heat exchange system. The engine core is configured to power rotation of the propulsor rotor. The housing includes an inner structure and an outer structure. The outer structure is radially outboard of and axially overlaps the inner structure. The flowpath is downstream of the propulsor rotor and radially between the inner structure and the outer structure. The heat exchange system includes a duct, an exterior orifice, an interior orifice, a flow regulator and a heat exchanger disposed within the duct. The exterior orifice is formed by the outer structure and disposed along an exterior of the housing. The interior orifice is formed by the outer structure and disposed along the flowpath. The flow regulator is configured to selectively fluidly couple the exterior orifice and the interior orifice to the duct.

Sobanski, Jon E.↗
DOE OSTI2024

Structural basis of divergent substrate recognition and inhibition of human neurolysin

A zinc metallopeptidase neurolysin (Nln) processes diverse bioactive peptides to regulate signaling in the mammalian nervous system. To understand how Nln interacts with various peptides with dissimilar sequences, we determined crystal structures of Nln in complex with diverse peptides including dynorphins, angiotensin, neurotensin, and bradykinin. The structures show that Nln binds these peptides in a large dumbbell-shaped interior cavity constricted at the active site, making minimal structural changes to accommodate different peptide sequences. The structures also show that Nln readily binds similar peptides with distinct registers, which can determine whether the peptide serves as a substrate or a competitive inhibitor. We analyzed the activities and binding of Nln toward various forms of dynorphin A peptides, which highlights the promiscuous nature of peptide binding and shows how dynorphin A (1–13) potently inhibits the Nln activity while dynorphin A (1–8) is efficiently cleaved. Our work provides insights into the broad substrate specificity of Nln and may aid in the future design of small molecule modulators for Nln.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Direct Simulations of H–He Mixtures at Planetary Interior Conditions: Demixing, Insulator–Metal Transition and Miscibility Boundaries

Accurate knowledge of the electrical and thermal conductivities and structural properties of hydrogen–helium mixtures under thermodynamic conditions within and beyond the immiscibility range is very important to predict the thermal evolution and internal structure of gas giant planets like Jupiter and Saturn. Here, we propose a novel method to determine the immiscibility boundary accurately without the need for free energy calculations, while providing consistent insights into structural and transport properties of mixtures. We show with direct large-scale ab initio simulations that the insulator–metal transition (IMT) of the hydrogen subsystem is strongly affected by an admixture with a small fraction of helium and occurs at temperatures significantly higher than those of pure hydrogen. At pressures below 150 GPa, the IMT boundary is not related anymore to the H 2 subsystem dissociation, the system remains insulating even after the full dissociation of H 2 molecules and its transition to an H–He mixture. The offset of the IMT in the H–He mixture relative to the dissociation region in the hydrogen subsystem and the significant reduction of static electrical and thermal conductivity by a factor between two and a few thousand relative to pure hydrogen found in mixtures have consequences for Jupiter and Saturn’s thermal evolution, internal structure, and dynamo action, affecting a large fraction of the interior of both planets.

Helium↗
DOE OSTI2025

Method of manufacturing monolithic optical systems

Disclosed are monolithic optical systems using an aerogel molded around a mandrel. A method of manufacturing an optical system includes applying a reflective coating to at least a portion of a surface of a mandrel, placing the mandrel in a tank and subsequently filling the tank with aerogel to a predetermined depth below a top of the mandrel. The method includes adding a separation layer to the tank on top of the aerogel at the predetermined depth, catalyzing the separation layer into a solid, and adding aerogel on top of the separation layer filling the tank with aerogel above a height of the mandrel, and removing the aerogel and mandrel from the tank, drying the aerogel into a solid aerogel structure, catalyzing the reflective coating to bond the reflective coating with the aerogel, and removing the mandrel from the aerogel structure to produce the aerogel structure having a hollowed-out interior.

Ravizza, Frank↗
DOE OSTI2024

Studying Wind Loading on CSP Collectors to Improve Performance and Reliability

Electricity generation through Concentrating Solar-thermal Power (CSP) adds the advantage of thermal energy storage and heat production. CSP collector costs constitute nearly one-third of total plant costs. Managing wind loading, especially dynamic wind loading caused by the turbulent wind flow, is a significant design challenge. Traditional collector designs rely on wind tunnel experiments and numerical simulations, which do not fully capture dynamic effects. Here, we provide an overview of NREL's activities on wind loading on CSP collectors, aiming to improve their reliability and cost-efficiency. We present insights from field measurements at operational parabolic trough and power-tower CSP plants. Over two years, we measured turbulent wind fields and resulting structural loads in a parabolic trough plant, revealing wind, turbulence, and collector field interactions. Similar measurements are ongoing at the Crescent Dunes heliostat field. These campaigns show how atmospheric turbulence, wind direction, and collector orientation affect dynamic wind loading. Upwind collector structures can generate turbulent structures, causing fluctuating loads at downstream collectors, impacting fatigue lifetime and optical efficiency. Preliminary results indicate that interior collectors experience higher turning moments than those at the edges, suggesting higher drive wear. At Crescent Dunes, we use instrumented heliostats at the field's edge and interior to study the translation of turbulent wind to dynamic structural loads. The campaign is still ongoing, and we will present first findings. Another focus of our work is tying the experimental wind loading findings to optical performance of the collectors, using simulation tools. For example, we derive torsional errors of the parabolic troughs - the angular offset from the sun position along a collector row. This error is impacted by wind-induced mirror deformations. Future work will focus on continuing the measurement efforts and combining them with computational fluid dynamic simulations. By providing detailed field measurements and validated models, our efforts aim to enhance understanding of wind loading on CSP collectors, improving their structural integrity and optical performance.

CSP↗
DOE OSTI2025

Kerr effective black hole geometries in supergravity

We derive the explicit embedding of the effective Kerr spacetimes, which are pertinent to the vanishing of static Love numbers, soft hair descriptions of Kerr black holes, and low-frequency scalar-Kerr scattering amplitudes, as solutions within 𝑁 = 2 supergravity. These spacetimes exhibit a hidden 𝑆⁢𝐿⁡(2,𝑅) × 𝑈⁡(1) or 𝑆⁢𝑂⁡(4,2) symmetry resembling the so called subtracted geometries with 𝑆⁢𝐿⁡(2,𝑅) × 𝑆⁢𝐿⁡(2,𝑅) symmetry, which accurately represent the near-horizon geometry of Kerr black holes and, as we will argue most accurately represents the internal structure of the Kerr black hole. To quantify the differences among the effective Kerr spacetimes, we compare their physical quantities, internal structures, and geodesic equations. Although their thermodynamic properties, including entropy, match those of Kerr, our study uncovers significant differences in the interiors of these effective Kerr solutions. A careful examination of the internal structure of the spacetimes highlights the distinctions between various effective Kerr geometries and their quasinormal spectra.

quantum aspects of black holes↗
DOE OSTI2026

Investigating Lignin Aggregation and Interactions with Solvents during γ-Valerolactone (GVL) Pretreatment: A Combined Small Angle Neutron Scattering and Molecular Simulations Study

The strong tendency of lignin to aggregate in solution, coupled with limited understanding of how its molecular structure governs this behavior, hinders its effective utilization in biorefineries. Here, in this study, we investigated the solution behavior of lignin extracted from poplar using γ-valerolactone/water (GVL/H2O, 9:1 wt/wt) through combined small-angle neutron scattering (SANS) and molecular dynamics (MD) simulations. Lignin samples obtained at 100 °C (L100) and 120 °C (L120) differed in β–O–4 content, hydroxyl distribution, and S/G ratio, enabling direct assessment of how molecular composition governs solvation and aggregation. SANS showed that L120 formed rigid and elongated cylindrical aggregates at 25 °C that transitioned to more flexible spheroidal structures by 50 °C and remained stable up to 80 °C, whereas L100 adopted globular aggregates that progressively collapsed with increasing temperature. MD simulations reinforced these observations by showing that S-rich (L120-like) oligomers had larger radii of gyration, stronger solvent coordination driven by methoxy groups, and fewer lignin–lignin contacts. In contrast, G-rich (L100-like) oligomers displayed persistent aggregation and lower solubility. Collectively, these results reveal that increased aromatic methoxylation enhances lignin–solvent interactions and suppresses self-association, whereas reduced methoxylation and higher β–O–4 content promote persistent aggregation into colloid-like structures with restricted solvent penetration into the aggregate interior.

biorefinery pretreatment↗
DOE OSTI2025

Scattering theory in noncanonical phase space: A Drift-Kinetic collision operator for weakly collisional plasmas

After developing a scattering theory for grazing collisions in general noncanonical phase spaces, we introduce a guiding center collision operator in five-dimensional phase space designed for plasma regimes characterized by long wavelengths (relative to the Larmor radius), low frequencies (relative to the cyclotron frequency), and weak collisionality (where repeated Coulomb collisions induce cumulatively small changes in particle magnetic moment). The collision operator is fully determined by the noncanonical Hamiltonian structure of guiding center dynamics and exhibits a metriplectic structure, ensuring the conservation of particle number, momentum, energy, and interior Casimir invariants. It also satisfies an H-theorem, allowing for deviations from an equilibrium Maxwellian distribution due to the nontrivial kernel of the noncanonical guiding center Poisson tensor, spanned by the magnetic moment. We propose that this collision operator and its underlying mathematical structure may offer valuable insight into the study of turbulence, transport, and self-organizing phenomena in both laboratory and astrophysical plasmas.

Hamiltonian mechanics↗
DOE OSTI2024

Wholly Sustainable, Cost-Effective Carbon Fiber-Nylon Compounds CRADA 592 (Final Report)

Carbon fiber composites have attracted considerable attention due to the potential for substantial mass savings, with many examples now implemented in the low-volume luxury car market. However, migration to higher volume applications has been hindered by: (a) high material cost, (b) high processing times, and (c) perception of low Sustainability. This project will address all three of these barriers: (a) carbon fiber material to replace aluminum in structural components at a cost penalty of no more than $5/Kg-saved (aka weight buy), (b) fitting into high-rate processes for automotive production like injection molding, and (c) end-to-end Sustainable material – based on post industrial waste carbon fiber and nylon 66 and ability to recycle end-of-life auto parts. The opportunity lies in combining DowAksa capabilities in carbon fiber manufacturing, resin chemistry intermediate production with the unique testing capabilities inherent within PNNL. The teams from PNNL and DowAksa held several meetings virtually and in-person in Michigan and at PNNL, including a lab tour at PNNL. Throughout, the teams discussed DowAksa material sources, commercially available recycled base materials, and preliminary material properties. The teams also engaged in multiple discussions and evaluations of potential automotive applications based on the ideas suggested by PNNL. The teams discussed several potential automotive applications in which recycled carbon fiber and recycled PA resin can be used. The PNNL team identified 38 cast aluminum components that can potentially be assessed for redesign using the DowAksa materials system. The PNNL team also identified 27 polyamide components. The teams discussed the lists and narrowed it down to a handful of applications that are exterior and interior to common vehicle architectures. The team also considered semi-structural and structural components and short-listed the highest potential candidates, such as cross-car-beam. The cross-car beam was considered to be highly suitable and potentially viable demonstration applications based on the properties of the materials as well as the weight savings potentials and the reduction in embodied energy by utilizing wholly sustainable materials, since both materials, carbon fiber and resin, were derived from recycled materials. The next step was to reach out to potential OEMs and/or Tier1s who were interested in exploring such technology for future applications. However, the project was terminated, and no further discussions or exchange of information took place. No new data were generated, including no IP and no publications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Modelling Thomson Scattering in a Hydrogen Plasma at Stellar Interior Conditions Using the Hypernetted‐Chain Approach

Under the extreme conditions found in small stars, where electron degeneracy and Coulomb coupling are significant, accurate modeling of Thomson scattering is crucial for determining opacity, a primary quantity for stellar energy transport. We use hypernetted-chain calculations, incorporating quantum pseudopotentials and electron-exchange effects to obtain the electron–electron static structure factor to calculate the Thomson scattering transport cross-section for conditions prevailing in the interior of small stars. These results are compared to those from average-atom simulations and analytical calculations. Our findings support laboratory astrophysics experiments aimed at benchmarking opacity models for stellar interiors, particularly for red dwarf stars, and help to bridge theoretical models with observations.

ICF↗
DOE OSTI2024

Formation of Linear Plasmonic Heterotrimers Using Nanoparticle Docking to DNA Origami Cages

The fabrication of complex assemblies with interesting collective properties from plasmonic nanoparticles (NPs) is often challenging. While DNA-directed self-assembly has emerged as one of the most promising approaches to forming such complex assemblies, the resulting structures tend to have large variability in gap sizes and shapes, as the DNA strands used to organize these particles are flexible, and the polydispersity of the NPs leads to variability in these critical structural features. Here, we use a new strategy termed docking to DNA origami cages (D-DOC) to organize spherical NPs into a linear heterotrimer with a precisely defined geometrical arrangement. Instead of binding NPs to the exterior of the DNA templates, D-DOC binds the NPs to either the interior or the opening of a 3D cage, which significantly reduces the variability of critical structural features by incorporating multiple diametrically arranged capture strands to tether NPs. Additionally, such a spatial arrangement of the capture strand can work synergistically with shape complementarity to achieve tighter confinement. To assemble NPs via D-DOC, we developed a multistep assembly process that first encapsulates an NP inside a cage and then binds two other NPs to the openings. Microscopic characterization shows low variability in the bond angles and gap sizes. Both UV–vis absorption and surface-enhanced Raman scattering (SERS) measurements showed strong plasmonic coupling that aligned with predictions by electrodynamic simulations, further confirming the precision of the assembly. These results suggest D-DOC could open new opportunities in biomolecular sensing, SERS and fluorescence spectroscopies, and energy harvesting through the self-assembly of NPs into more complex 3D assemblies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Algebraic Multigrid with Filtering: An Efficient Preconditioner for Interior Point Methods in Large-Scale Contact Mechanics Optimization

Large-scale contact mechanics simulations are crucial in many engineering fields such as structural design and manufacturing. In the frictionless case, contact can be modeled by minimizing an energy functional; however, these problems are often nonlinear, nonconvex, and increasingly difficult to solve as mesh resolution increases. In this work, we employ a Newton-based interior-point (IP) filter line-search method, an effective approach for large-scale constrained optimization. While this method converges rapidly, each iteration requires solving a large saddle-point linear system that becomes ill-conditioned as the optimization process converges, largely due to IP treatment of the contact constraints. Such ill-conditioning can hinder solver scalability and increase iteration counts with mesh refinement. Here, to address this, we introduce a novel preconditioner, algebraic multigrid with filtering (AMGF), tailored to the Schur complement of the saddle-point system. Building on the classical AMG solver, commonly used for elasticity, we augment it with a specialized subspace correction that filters near null space components introduced by contact interface constraints. Through theoretical analysis and numerical experiments on a range of linear and nonlinear contact problems, we demonstrate that the proposed solver achieves mesh independent convergence and maintains robustness against the ill-conditioning that notoriously plagues IP methods. These results indicate that AMGF makes contact mechanics simulations more tractable and broadens the applicability of Newton-based IP methods in challenging engineering scenarios. More broadly, AMGF is well suited for problems, optimization or otherwise, where solver performance is limited by a low-dimensional subspace, such as those arising from localized constraints, interface conditions, or model heterogeneities. This makes the method widely applicable beyond contact mechanics and constrained optimization.

Mathematics and Computing↗
DOE OSTI2025

The structure of liquid carbon elucidated by in situ X-ray diffraction

Carbon has a central role in biology and organic chemistry, and its solid allotropes provide the basis of much of our modern technology. However, the liquid form of carbon remains nearly uncharted, and the structure of liquid carbon and most of its physical properties are essentially unknown. But liquid carbon is relevant for modelling planetary interiors and the atmospheres of white dwarfs, as an intermediate state for the synthesis of advanced carbon materials, inertial confinement fusion implosions, hypervelocity impact events on carbon materials and our general understanding of structured fluids at extreme conditions. Here we present a precise structure measurement of liquid carbon at pressures of around 1 million atmospheres obtained by in situ X-ray diffraction at an X-ray free-electron laser. Our results show a complex fluid with transient bonding and approximately four nearest neighbours on average, in agreement with quantum molecular dynamics simulations. The obtained data substantiate the understanding of the liquid state of one of the most abundant elements in the universe and can test models of the melting line. The demonstrated experimental abilities open the path to performing similar studies of the structure of liquids composed of light elements at extreme conditions.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2026

Noncanonical folding of peptoid oligomers: Formation of a closed conformation in nonpolar solvent

Peptoids provide a versatile platform for foldamer design, yet their conformational behavior in low-dielectric media remains poorly understood. The structural characteristics of N-1-phenylethylglycine (Nspe) homo-oligomers were inves-tigated in chloroform, a solvent that mimics the interior of lipid bilayers, using nuclear magnetic resonance (NMR) spec-troscopy and molecular dynamics (MD) simulations. Nspe7 populated two distinct compact conformations, while Nspe10 adopted a single homogeneous conformation related to the previously reported Nspe9 threaded-loop structure. Integrated experimental and computational analysis reveals that these structures are stabilized by cooperative end-to-end intramo-lecular hydrogen bonding, cis-trans backbone isomerism, and hydrophobic side-chain shielding. The resulting structures minimize exposed polar surface area, demonstrating a closed conformation in the low-dielectric environment. These find-ings establish specific chain-length requirements for achieving well-defined closed conformations. This work provides insights into peptoid folding in nonpolar media, enabling rational design strategies for solvent-directed conformational switching systems.

Oh, Jinyoung↗
DOE OSTI2025

Investigation of oscillations above the acoustic cut-off frequency for a sample of Kepler stars. II. Identifying temporal frequency shifts

ABSTRACT Stellar oscillations with frequencies greater than the acoustic cut-off frequency are not trapped within the star’s interior. Geometric interference between these high-frequency waves produces a peak-like structure in the power spectrum of the star, known as the pseudo-modes. In this study, we aim to analyse 51 stars previously identified (from a sample of 91 Kepler stars) to contain statistically significant evidence for pseudo-modes, to determine if the pseudo-mode frequencies vary in time. We obtained these frequency variations and the uncertainty by the resampled periodogram approach, where periodogram realisations were created from successive, overlapping 90-d time segments, and a cross-correlation function was generated between them. The computed shifts were compared against temporal p-mode frequency shifts and a stellar magnetic activity proxy, $S_{\mathrm{ph}}$. We found that for 16 per cent of the stars pseudo-mode frequency shifts were significantly anticorrelated with p-mode shifts, as is the case for the Sun. However, we also found pseudo-mode and p-mode shifts to be significantly correlated in-phase in 8 per cent of our sample. The remainder showed no significant correlation. We also searched for trends between the maximum variation of pseudo-mode frequency shifts and stellar parameters. Whilst we found no correlation between the maximum variation and stellar photospheric and chromospheric proxies, we found frequency variations to have a greater amplitude for cooler and slower rotating stars, which is in opposition to p-mode frequency shift variation. Temporal changes to pseudo-mode frequencies may be attributable to variations in stellar magnetic activity, and therefore can contribute to our understanding of stellar activity cycles.

Millson, L. J. (ORCID:0009000342542676)↗
DOE OSTI2025

Inferring three-nucleon couplings from multi-messenger neutron-star observations

Understanding the interactions between nucleons in dense matter is an important challenge in theoretical physics. Effective field theories have emerged as the dominant approach to address this problem at low energies, with many successful applications to the structure of nuclei and the properties of dense nucleonic matter. However, how far into the interior of neutron stars these interactions can describe dense matter is an open question. Here, we develop a framework that enables the inference of three-nucleon couplings in dense matter directly from astrophysical neutron star observations. We apply this formalism to the LIGO/Virgo gravitational-wave event GW170817 and the X-ray measurements from NASA’s Neutron Star Interior Composition Explorer and establish direct constraints for the couplings that govern three-nucleon interactions in chiral effective field theory. Furthermore, we demonstrate how next-generation observations of a population of neutron star mergers can offer stringent constraints on three-nucleon couplings, potentially at a level comparable to those from laboratory data. Our work directly connects the microscopic couplings in quantum field theories to macroscopic observations of neutron stars, providing a way to test the consistency between low-energy couplings inferred from terrestrial and astrophysical data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Multi-Functional Smart Structures for Smart Vehicles

This report summarizes the development of a new class of recyclable multi-functional composite materials for production of lightweight smart structures and surfaces. Functional high stiffness conductive composites were processed using molding methods that integrated continuous fiber and additively manufactured features. Methods for integration of sensing functionality and controls were also developed to reduce system cost while providing a new capability for structural health monitoring. This new class of composites is applicable to a broad range of vehicle interior, exterior and battery enclosure systems. By way of demonstration, a vehicle instrument panel cross car beam was developed that provided a 38% mass savings compared to steel while maintaining a cost penalty competitive to alternate lightweight material solutions. These technologies were validated for implementation by a uniquely qualified project team comprising a US automotive OEM, Tier 1 and Tier 2 supplier, with key contributions from Oak Ridge National Lab, Purdue University and Michigan State University.

33 ADVANCED PROPULSION SYSTEMS↗