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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Probing gluon saturation and nuclear structure in photon-nucleus collisions

We calculate exclusive vector meson photoproduction within the Color Glass Condensate framework in high-energy photon-nucleus scattering probed experimentally in ultra peripheral heavy ion collisions at RHIC and at the LHC. When the free parameters are constrained by the γ + p data from HERA, we predict significant nuclear suppression for both the coherent and incoherent photoproduction cross section in the TeV range. Our results indicate that the LHC data prefers even stronger saturation effects at the highest collision energies. Furthermore, we demonstrate how the linear polarization of photons in ulra peripheral collisions generates azimuthal modulations in the decay products of the exclusively produced vector meson. We show how these measurements can probe details of the nuclear geometry, specifically the deformed structure of the uranium nuclei.

Mäntysaari, Heikki [University of Jyväskylä (Finla↗
DOE OSTI2025

Innovative Symmetrical Electrolyte Architecture Enables Ultra-Flat and Thermal Resilient Protonic Ceramic Electrochemical Cells

Protonic ceramic electrochemical cells (PCECs) represent a promising class of solid‐state energy conversion devices capable of high‐efficiency hydrogen production and power generation. However, the practical deployment of planar PCECs is fundamentally constrained by severe structural deformation and mechanical failure during fabrication, stemming from asymmetric shrinkage between the thin electrolyte and the thick NiO‐based support layer. Here, in this work, a functionally integrated, symmetry‐engineered double‐sided electrolyte (DE) design is unveiled, which not only suppresses thermally induced curvature but also unlocks significant gains in electrochemical performance and stability. This architecture intrinsically balances shrinkage dynamics across the cell bilaterally, enabling the fabrication of ultra‐flat 5 × 5 cm 2 cells with sub‐100 µm thickness variation. A numerical solid mechanics simulation is introduced to investigate and interpret this achievement. Beyond structural advantages, the DE configuration enhances the cell operational stability, delivering a low open‐circuit voltage degradation of 9.5 mV/100 h across 80 thermal cycles. This work establishes a compelling paradigm wherein architectural symmetry directly translates to both mechanical fidelity and functional enhancement, offering a promising route toward PCECs scale‐up.

08 - HYDROGEN↗
DOE OSTI2022

Native lattice strain induced structural earthquake in sodium layered oxide cathodes

Abstract High-voltage operation is essential for the energy and power densities of battery cathode materials, but its stabilization remains a universal challenge. To date, the degradation origin has been mostly attributed to cycling-initiated structural deformation while the effect of native crystallographic defects induced during the sophisticated synthesis process has been significantly overlooked. Here, using in situ synchrotron X-ray probes and advanced transmission electron microscopy to probe the solid-state synthesis and charge/discharge process of sodium layered oxide cathodes, we reveal that quenching-induced native lattice strain plays an overwhelming role in the catastrophic capacity degradation of sodium layered cathodes, which runs counter to conventional perception—phase transition and cathode interfacial reactions. We observe that the spontaneous relaxation of native lattice strain is responsible for the structural earthquake (e.g., dislocation, stacking faults and fragmentation) of sodium layered cathodes during cycling, which is unexpectedly not regulated by the voltage window but is strongly coupled with charge/discharge temperature and rate. Our findings resolve the controversial understanding on the degradation origin of cathode materials and highlight the importance of eliminating intrinsic crystallographic defects to guarantee superior cycling stability at high voltages.

25 ENERGY STORAGE↗
DOE OSTI2025

Numerical and experimental analysis of mechanically induced failure in electric vehicle battery modules

Mitigating thermal runaway and cell-to-cell propagation is essential for improving the safety of electric and hybrid vehicles. Enhancing digital twin capabilities to predict battery mechanical abuse is particularly critical for automotive and aerospace applications, where crashworthiness is a key concern. Understanding failure conditions and propagation in battery modules during mechanical abuse is complex due to interactions between structural deformation, heat transfer, electrochemical processes, exothermic reactions and mechanical fracture. While prior studies have focused on modeling cell-level behavior, extending these models to module or pack level is necessary for a system level understating of electric vehicle safety. This study develops coupled large deformation finite element models that simultaneously solve for electrochemistry, material failure, internal short circuit and thermal runaway propagation. The models account for mechanical and thermal interactions between lithium-ion cells and other battery components while the contact interfaces are evolving with time. Model-predicted voltage, temperature and force responses are compared with experimental data for validation. The results demonstrate that the approach captures key failure mechanisms, including thermal propagation through heat transfer, electrical propagation from short circuits in parallel-connected cells, and mechanical propagation via penetration and crack formation. These findings show that computational models are valuable tools for understanding battery module failure and providing insight that can reduce the need for extensive experimental testing.

25 ENERGY STORAGE↗
DOE OSTI2021

Methane Adsorption on Heteroatom-Modified Maquettes of Porous Carbon Surfaces

Experimental and theoretical studies disagree on the energetics of methane adsorption on carbon materials. However, this information is critical for the rational design and optimization of the structure and composition of adsorbents for natural gas storage. The delicate nature of dispersion interactions, polarization of both the adsorbent and the adsorbate, interplay between H-bonding and tetrel bonding, and induced dipole/Coulomb interactions inherent to methane physisorption require computational treatment at the highest possible level of theory. In this study, we employed the smallest reasonable computational model, a maquette of porous carbon surfaces with a central site for substitution and methane binding. The most accurate predictions of methane adsorption energetics were achieved by electron-correlated molecular orbital theory CCSD(T) and hybrid density functional theory MN15 calculations employing a saturated, all-electron basis set. Here, the characteristic geometry of methane adsorption on a carbon surface (“lander approach”) arises due to bonding interactions of the adsorbent π-system with the proximal H–C bonds of methane, in addition to tetrel bonding between the antibonding orbital of the distal C–H bond and the central atom of the maquette (C, B, or N). The polarization of the electron density, structural deformations, and the comprehensive energetic analysis clearly indicate a ∼3 kJ mol –1 preference for methane binding on the N-substituted maquette. The B-substituted maquette showed a comparable or lower binding energy than the unsubstituted, pure C model, depending on the level of theory employed. The calculated thermodynamic results indicate a strategy for incorporating electron-enriched substitutions (e.g., N) into carbon materials as a way to increase methane storage capacity over electron-deficient (e.g., B) modifications. The thermochemical analysis was revised for establishing a conceptual agreement between the experimental isosteric heat of adsorption and the binding enthalpies from statistical thermodynamics principles.

03 NATURAL GAS↗
DOE OSTI2024

Material Characterization Study of Magnetite Nanocrystals for RF Sensing

Magnetite nanocrystals show promise for electrically small gigahertz frequency applications, which could lead to miniaturizing transformer cores and new sensing technologies. This work presents a rigorous radiofrequency characterization of these nanocrystals using vector network analyzer (VNA) ferromagnetic resonance (FMR) measurements. For the first time, two different average diameters of Fe 3 O 4 nanocrystals are investigated (7.3 and 20.2 nm). When the VNA–FMR results were compared to micromagnetic simulations, the magnetic anisotropy (K 1 ) deviated from the ideal mean orientation value of K 1 /2 to K 1 /80 for the 7.3 nm nanocrystal. In contrast, the obtained magnetic anisotropy in 20.2 nm nanocrystals slightly deviated to K 1 /11 due to less structural deformations. These findings resulted in a newly proposed methodology for an approximate simulation based on VNA–FMR measurements. In addition, this work estimates the approximate amount of nanocrystals needed to measure a useful VNA–FMR spectrum.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Simulating Sea-Ice Deformation in Viscous-Plastic Sea-Ice Models With CD-Grids

Linear kinematic features (LKFs) are found everywhere in the Arctic sea-ice cover. They are strongly localized deformations often associated with the formation of leads and pressure ridges. In viscous-plastic (VP) sea-ice models, the simulation of LKFs depends on several factors such as the grid resolution, the numerical solver convergence, and the placement of the variables on the mesh. In this study, we compare two recently proposed discretization with a CD-grid placement with respect to their ability to reproduce LKFs. The first (CD1) is based on a nonconforming finite element discretization, whereas the second (CD2) uses a conforming subgrid discretization. To analyze their resolution properties, we evaluate runs from different models (e.g., FESOM, MPAS) on a benchmark problem using quadrilateral, hexagonal and triangular meshes. Our findings show that the CD1 setup simulates more deformation structure than the CD2 setup. This highlights the importance of the type of spatial discretization for the simulation of LKFs. Due to the higher number of degrees of freedom, both CD-grids resolve more LKFs than traditional A, B, and C-grids at fixed mesh level. This is an advantage of the CD-grid approach, as high spatial mesh resolution is needed in VP sea-ice models to simulate LKFs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Impact of dual-layer solid-electrolyte interphase inhomogeneities on early-stage defect formation in Si electrodes

While intensive efforts have been devoted to studying the nature of the solid-electrolyte interphase (SEI), little attention has been paid to understanding its role in the mechanical failures of electrodes. Here we unveil the impact of SEI inhomogeneities on early-stage defect formation in Si electrodes. Buried under the SEI, these early-stage defects are inaccessible by most surface-probing techniques. With operando full field diffraction X-ray microscopy, we observe the formation of these defects in real time and connect their origin to a heterogeneous degree of lithiation. This heterogeneous lithiation is further correlated to inhomogeneities in topography and lithium-ion mobility in both the inner- and outer-SEI, thanks to a combination of operando atomic force microscopy, electrochemical strain microscopy and sputter-etched X-ray photoelectron spectroscopy. Our multi-modal study bridges observations across the multi-level interfaces (Si/LixSi/inner-SEI/outer-SEI), thus offering novel insights into the impact of SEI homogeneities on the structural stability of Si-based lithium-ion batteries. Severe structural deformation during (de)lithiation is the main factor limiting the stability of Si anodes in Li-ion batteries. Here, a multi-modal approach is used to visualize these deformations in their early-stage and link them to inhomogeneities in the dual-layer solid-electrolyte interphase.

25 ENERGY STORAGE↗
DOE OSTI2023

Selective sorption of oxygen and nitrous oxide by an electron donor-incorporated flexible coordination network

Incorporating strong electron donor functionality into flexible coordination networks is intriguing for sorption applications due to a built-in mechanism for electron-withdrawing guests. Here we report a 2D flexible porous coordination network, [Ni 2 (4,4'-bipyridine)(VTTF) 2 ]n(1) (where H 2 VTTF = 2,2;-[1,2-bis(4-benzoic acid)-1,2ethanediylidene]bis-1,3-benzodithiole), which exhibits large structural deformation from the as-synthesized or open phase (1α) into the closed phase (1β) after guest removal, as demonstrated by X-ray and electron diffraction. Interestingly, upon exposure to electron-withdrawing species, 1β reversibly undergoes guest accommodation transitions; 1α$\supset$O 2 (90 K) and 1α$\supset$N 2 O (185 K). Moreover, the 1β phase showed exclusive O 2 sorption over other gases (N 2 , Ar, and CO) at 120 K. The phase transformations between the 1α and 1β phases under these gases were carefully investigated by in-situ X-ray diffraction, in-situ spectroscopic studies, and DFT calculations, validating that the unusual sorption was attributed to the combination of flexible frameworks and VTTF (electron-donor) that induces strong interactions with electron-withdrawing species.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Device and material investigations of GaN enhancement-mode transistors for Venus and harsh environments

This Letter reports the device and material investigations of enhancement-mode p-GaN-gate AlGaN/GaN high electron mobility transistors (HEMTs) for Venus exploration and other harsh environment applications. The GaN transistor in this work was subjected to prolonged exposure (11 days) in a simulated Venus environment (460 °C, 94 bar, complete chemical environment including CO2/N2/SO2). The mechanisms affecting the transistor performance and structural integrity in harsh environment were analyzed using a variety of experimental, simulation, and modeling techniques, including in situ electrical measurement (e.g., burn-in) and advanced microscopy (e.g., structural deformation). Through transistor, Transmission Line Method (TLM), and Hall-effect measurements vs temperature, it is revealed that the mobility decrease is the primary cause of reduction of on-state performance of this GaN transistor at high temperature. Material analysis of the device under test (DUT) confirmed the absence of foreign elements from the Venus atmosphere. No inter-diffusion of the elements (including the gate metal) was observed. The insights of this work are broadly applicable to the future design, fabrication, and deployment of robust III-N devices for harsh environment operation.

Physics↗
DOE OSTI2024

Modeling of Sagging for 3D Printed Layers During the Curing Process

Here, a printed layer of silica-enforced poly(dimethylsiloxane)-co-(diphenylsiloxane) is modeled as a two-phase system consisting of air and polymer with an interface set up during the printing process. The structural geometry changes mostly due to the action of surface tension, while all material properties are strongly temperature dependent. Polymer flow is described using equations of the extended Herschel–Bulkley model, with parameters strongly dependent on temperature and degree of curing. Parameters of the model are determined using flow sweep measurements and separate experiments with vertical structure sagging at different temperatures. The curing process is modeled using dependencies between the curing rate, degree of curing, and temperature obtained in studies by differential scanning calorimetry. The developed model is used for simulations of printed structure deformations with different initial and boundary conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Pulse Strengthened and Laser Edge Sealed Vacuum Insulation Glazing

A scalable, low-cost processing strategy for glass strengthening and sealing is proposed to improve the thermal performance of insulating glass units and develop innovative window technologies. In this project, a combination of large area photonic processing, additive manufacturing, and laser encapsulation techniques is reported to realize a vacuum glazing technology to meet the cost, performance, reliability, and throughput demands. A modeling framework for evaluating the mechanical and thermal response was established to verify the structural deformation and thermal conductance. Micro-size glass frits in printing ink and a continuous-wave laser curing were employed to allow the formation of a hermetic bonding layer and led to improvement of glass edge sealing. Various sealing parameters, including laser traveling speed, spot diameter, and laser power were optimized. The water seepage and mechanical strength of the resulting glass-to-glass bonding were examined as well. These results showcase the development of a practical vacuum insulating glazing with several unique features through a combination of photonic processing, laser encapsulation, and additive manufacturing.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Tensile Properties of Austenitic Stainless Steel Tubing with Internal Hydrogen/Tritium

Can microstructure explain the observed influence of hydrogen/tritium on tensile ductility? • Hydrogen is believed to interact with dislocations, grain boundaries, vacancies, and other microstructural features2 • How hydrogen and helium (He) interact with austenitic stainless steels remains a vigorous debate • We hypothesize that: • Hydrogen isotopes and decay helium act like solutes strengthening the steel and promoting planar deformation structures that reduce tensile ductility • These changes in mechanical behavior are not the same for differing microstructures

Wieber, Natalie↗
DOE OSTI2024

Seeing in with X-rays: 4D Strain and Thermometry Measurements for Thermal-Mechanical Testing

Understanding temperature-dependent material decomposition and structural deformation induced by combined thermal-mechanical environments is critical for safety qualification of hardware under accident scenarios. Seeing in with X-rays elucidated the physics necessary to develop X-ray strain and thermometry diagnostics for use in optically opaque environments. Two parallel thermometry schemes were explored: X-ray fluorescence and X-ray diffraction of inorganic doped ceramics– colloquially known as thermographic phosphors. Two parallel surface strain techniques–Path-Integrated Digital Image Correlation and Frequency Multiplexed Digital Image Correlation–were demonstrated. Finally, preliminary demonstration of time-resolved digital volume correlation was performed by taking advantage of limited view reconstruction techniques. Additionally, research into blended ceramic-metal coatings was critical to generating intrinsic thermographic patterns for the future combination of X-ray strain and thermometry measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Elucidating the Link Between Alkali Metal Ions and Reaction-Transport Mechanisms in Cathode Electrodes for Alkali-ion Batteries

Our long-term goal is to improve the reliability of electrode materials and their ability to transport and store various metal ions for electrochemical energy storage applications. The main objective of this work was to investigate the intrinsic relationship between the role of alkali metal ions and electrochemically driven mechanical stability and kinetic properties of battery materials. The overall question was “What is the role of alkali metal ions on the electrochemical and mechanical behavior of cathode electrodes? Our guiding hypothesis was that intercalation of larger alkali metal ions (Na and K) inevitably alters the coupled transport-reaction processes during battery operation in organic electrolytes, leading to more intensive chemo-mechanical instabilities in cathode electrodes, resulting in rapid capacity fade. To validate the hypothesis, we experimentally characterized the reaction-transport processes and governing forces driving the instability of electrode materials in different alkali metal-ion environments. The project had three main tasks. The first one was to investigate intercalation-induced strains and associated stress generation, and their impact on structural deformations in composite cathode electrodes. The second task focused on identifying potential-dependent dynamic changes in the electrode-electrolyte interface in alkali metal ion batteries. The last task was focused on determining how larger alkali metal ions with slower diffusivity affect the transport-mechanics coupling at faster scan rates, compared to smaller ions with faster diffusivity in electrodes. We shortly provided the outcome of each task in the accomplishment section. This project produced 10 peer-reviewed publications (9 research papers and one review manuscript) and supported two Ph.D. students, who graduated from Oklahoma State University.

25 ENERGY STORAGE↗
DOE OSTI2025

Integral Field Probe for Mapping of Curved Magnets

The Single Stretched Wire (SSW) method allows highly precise integral field measurements by recording voltage across a tensioned wire mounted to 2-axis linear stages at either end of the magnet aperture. However, traditional SSW probes are not well suited for curved accelerator magnets, which are essential for steering charged particles along arced trajectories in storage rings or beamlines. The tension required to eliminate sag demands a purely straight path, making them incompatible with non-linear magnet geometries. To address this limitation for curved magnets, a modified approach was developed using a segmented, 3D-printed support structure that incorporates a pre-shaped anti-sag curve. Under its own weight and that of the wire bundle, the structure deforms to lie flat while conforming to the curvature of the magnet in the horizontal plane. The optimal geometry of the probe was derived using an iterative process combining FEA simulations in Ansys Mechanical with testing of various carbon fiber-reinforced filaments. The printed and assembled probe was successfully used to measure the SDD-059 magnet at Fermilab, yielding promising results.

Jakopin, Alexander [Northern Illinois U.]↗
DOE OSTI2025

SEM/EBSD Characterization of Baffle-Former Bolts Designated for High Energy X-ray Microscopy Studies at the Advanced Photon Source

This report documents the microstructural and surface characterization of two high-fluence baffle-former bolts (BFBs) harvested from a commercial pressurized water reactor (PWR) after nearly four decades of service. These bolts experienced extreme conditions including high neutron fluence, elevated temperatures, corrosive primary water, and sustained mechanical loads, all of which contribute to degradation mechanisms such as irradiation-assisted stress corrosion cracking (IASCC). Using scanning electron microscopy (SEM) and electron backscatter diffraction (EBSD), the study assessed bulk and near-surface microstructures, grain boundary characteristics, and in-service oxide layers. The results revealed significant differences between bolts exposed to 41 dpa and 29 dpa, including differences in recrystallization extent, deformation structures, and oxidation morphology. These findings establish critical baseline data for integration with advanced synchrotron-based high-energy X-ray microscopy (HEXM) and computational crystal plasticity models. Ultimately, the work supports improved mechanistic understanding and predictive capability regarding the long-term performance of reactor core internal components.

Lach, Tim [Oak Ridge National Laboratory (ORNL), O↗