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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Dynamic response of additively manufactured Ti–5Al–5V–5Mo–3Cr as a function of heat treatment

Both shock and shockless compression experiments were performed on laser powder bed fusion (LPBF) Ti–5Al–5V–5Mo–3Cr (Ti-5553) to peak compressive stresses near 15 GPa. Experiments were performed on the as-built material, containing a purely β (body centered cubic) microstructure, and two differing heat treatments resulting in a dual phase α (hexagonal close packed) and β microstructure. The Hugoniot, Hugoniot elastic limit (HEL), and spallation strength were measured and compared to wrought Ti-6Al-4V (Ti-64). The results indicate the LPBF Ti-5553 Hugoniot response is similar between heat treatments and to Ti-64. The HEL stress observed in the LPBF Ti-5553 was considerably higher than Ti-64, with the as-built, fully β alloy exhibiting the largest values. The spallation strength of the LPBF Ti-5553 was also similar to Ti-64. Clear evidence of initial porosity serving as initiation sites for spallation damage was observed when comparing computed tomography measurements before and after loading. Post-mortem scanning electron microscopy images of the recovered spallation samples showed no evidence of retained phase changes near the spall plane. The spall plane was found to have kinks aligned with the loading direction near areas with large concentrations of twin-like, crystallographic defects in the as-built condition. For the heat-treated samples, the concentrations of twin-like, crystallographic defects were absent, and no preference for failure at the interface between the α and β phases was observed.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Additively manufactured refractory high-entropy alloys with superior radiation resistance

Refractory high-entropy alloys (RHEAs) are promising candidates for next-generation nuclear and high-temperature applications. Among many approaches to manufacture RHEAs, additive manufacturing (AM) represents the most recent and advanced metal manufacturing method which allows near-net-shape manufacturing to reduce material waste and post-processing time. However, performance of AM RHEAs under complex irradiation conditions remains largely unexplored. Here, in this study, we demonstrate for the first time the response of directed energy deposition (DED) AM quaternary RHEAs (HfTaVW, CrTaVW) subjected to sequential dual-beam ion irradiation, consisting of helium pre-implantation followed by high-dose heavy ion bombardment. Compositions of DED AM RHEAs were selected using Monte Carlo (MC) simulations based on a cluster expansion (CE) Hamiltonian parameterized by density functional theory (DFT). Post-irradiation microstructural characterization revealed that the AM RHEA maintained remarkable stability, with suppressed helium bubble growth and reduced defect accumulation compared to conventional alloys. Even at high doses (∼100 dpa), the alloy exhibited no void swelling, a low density of dislocation loops, and no evidence of severe degradation. These results highlight the intrinsic ability of AM-derived microstructures and multicomponent chemistry to synergistically mitigate irradiation effects. Our findings establish AM RHEAs as a class of materials with superior resistance to radiation damage under conditions relevant to advanced fusion and fission environments and demonstrate the importance of sequential ion beam studies in evaluating their long-term performance.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Modified microstructures in proton irradiated dual phase 308L weldment filler material

In this study, the effect of proton irradiation on the microstructure of δ ferrite—γ austenite mixed phase 308L filler material in a 508–304 dissimilar metal weldment was investigated over a depth of 0 to 10 µm. Ni–Si–Mn G-phase precipitates were observed with SEM and TEM in δ ferrite but not in γ austenite. Our density functional theory based calculations show that the G/Fe interface energy in δ-Fe is significantly lower than that in γ-Fe (0.35 versus 1.25 J/m 2 ), which provides a thermodynamics-based explanation for our experimental observations of preferential formation of G-phase in δ ferrite. STEM-EDS, TEM dark field imaging, and diffraction patterns confirmed the Ni–Si–Mn enriched precipitates were G-phase precipitates with a stoichiometry of Mn 6 Ni 16 Si 7 . Intragranular voids and Ni–Si enriched clusters were observed in irradiated γ austenite. Additionally, Ni and Si segregation was observed along the void interfaces. In both cases, Ni–Si clusters and segregation to voids, selected area diffraction patterns did not reveal the existence of a second phase. Proton irradiation induced Cr depletion and Si and Ni enrichment at γ-γ austenite grain boundaries that was characterized with STEM/EDS.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Imaging the Progression of Radiolytic Damage in Molecular Crystals with Scanning Nanobeam Electron Diffraction

Almost every electron microscopy experiment is fundamentally limited by radiation damage. Nevertheless, little is known about the onset and progression of radiolysis in beam-sensitive materials. Here we apply ambient-temperature scanning nanobeam electron diffraction to record simultaneous dual-space movies of organic and organometallic nanocrystals at sequential stages of beam-induced radiolytic decay. We show that the underlying mosaic of coherently diffracting domains undergoes internal rearrangement as a function of accumulating electron fluence, causing the intensities of some associated Bragg reflections to fade nonmonotonically. Furthermore, we demonstrate that repeated irradiation at a single probe position leads to the isotropic propagation of delocalized radiolytic damage well beyond the direct footprint of the incident beam. We refer to these expanding tides of amorphization as “impact craters.”

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Structural Dynamics in UV Curable Resins Resolved by In Situ 3D Printing X-ray Photon Correlation Spectroscopy

Additive manufacturing (AM) is a promising technique to rapidly produce polymeric materials into complex 3-dimensional (3D) geometries. While AM is widespread and relevant for a range of applications, implementation in industry has outpaced our fundamental understanding of polymer dynamics and structure development during the printing process. Characterization and quantification of such dynamics is necessary to optimize final material properties and design future materials and processes for 3D printing. Here, we utilize X-ray photon correlation spectroscopy (XPCS) to measure spatial and time-resolved, out-of-equilibrium dynamics during direct ink write (DIW) 3D printing. Specifically, we investigate the progression of structural dynamics in a dual cure (UV/thermal) nanocomposite during and directly after printing. As the filament is printed and cured in situ, the relaxation processes of the cross-linking network are measured through the dynamics of inorganic filler particles. The characteristic relaxation time of the dynamics is calculated through the intensity–intensity autocorrelation function g 2 and directly correlated to the printing process parameters, such as printhead velocity and UV light intensity. The time-resolved evolution of nanoscale dynamics follows a power-law dependence as the filament is cured. Additionally, bulk rheological characterizations reveal the macroscopic solidification of the resin, providing correlation of material properties across a wide range of length and time scales. Overall, the measurement of multiscale, out-of-equilibrium dynamics provides insight into the development of structure in polymer nanocomposite filaments during 3D printing and is used to further understand the influence of such parameters on the AM process.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Creation of discrete active site domains via mesoporous silica poly(styrene) composite materials for incompatible acid–base cascade reactions

This work highlights the design and synthesis of bifunctional mesoporous silicate – polymer composite dual acid–base supported cascade catalysts. Compartmentalization of the two incompatible active sites is sought by segregating acid sites on the silica surface, and base sites within polymer chains and/or polymer domains. The ability to isolate and segregate active sites via control of the mesoporous silica pore size and polymer molecular weight is probed with silica samples functionalized by a grafting-to process. Supplemental activator and reducing agent (SARA) atom transfer radical polymerization is used to synthesize random copolymers containing protected primary amines. Thiol–ene ‘click’ chemistry facilitates silica functionalization via a convergent approach, with the ene-functionalized polymer end group and silica-grafted thiols forming SBA/MCM-SH-poly(styrene-co-2-(4-vinylbenzyl)isoindoline-1,3-dione). Polymer deprotection and thiol oxidation produces primary amine/sulfonic acid containing composite catalysts. With the polymer supported Lewis base and silica grafted Brønsted acid, the two-step deacetalization – Knoevenagel condensation cascade is explored to assess the ability of these polymer/silica hybrids to segregate active sites, allowing both acid and base site accessibility. Six composite catalysts are synthesized and tested in individual and cascade reactions with kinetic results demonstrating that lower molecular weight SBA-15-P1 and MCM-41-P1 catalysts outperform (higher turnover frequencies and initial rates) their higher molecular weight analogues, as well as a polymer-free system containing molecular active sites dispersed on the silica surface. Higher molecular weight composite catalysts perform more poorly due to limited chain solubility, mass transfer limitations, and poor catalyst accessibility. In many cases, the polymer chains effectively thread into the mesopores, with higher molecular weight polymers leading to pore blockage and inhibited mass transfer.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A semiempirical transparency model for dual energy cargo radiography applications

Cargo containers passing through ports are scanned by non-intrusive inspection systems to search for concealed illicit materials. By using two photon beams with different energy spectra, dual energy inspection systems are sensitive to both the area density and the atomic number of cargo contents. Most literature on the subject assumes a simple exponential attenuation model for photon intensity in which only free streaming photons are detected. However, this approximation neglects second order effects such as scattering, leading to a biased model and thus incorrect material predictions. This work studies the accuracy of the free streaming model by comparing it to simulation outputs, finding that the model shows poor atomic number reconstruction accuracy at high- Z and suffers significantly if the source energy spectra and detector response function are not known exactly. To address these challenges, this work introduces a semiempirical transparency model which modifies the free streaming model by rescaling different components of the mass attenuation coefficient, allowing the model to capture secondary effects ignored by the free streaming model. The semiempirical model displays improvement agreement with simulated results at high- Z and shows excellent extrapolation to materials and thicknesses which were not included during the calibration step. Furthermore, this work demonstrates that the semiempirical model yields accurate atomic number predictions even when the source spectra and detector response are not known exactly. In conclusion, using the semiempirical model, manufacturers can perform a simple calibration to enable more precise Z reconstruction capabilities, which has the potential to significantly improve the performance of existing dual energy radiographic systems.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

In Situ MOF Pyrolysis Construction of Hierarchical Porous Co‐Nanoparticles/Carbon Cloth Composites for Enhanced Electromagnetic Wave Shielding and Absorption

The development of high-performance electromagnetic protection materials integrating broadband absorption and effective shielding capabilities is hindered by challenges in simultaneously optimizing multiple electromagnetic properties through conventional material designs. This study pioneers a hierarchical porous Co nanoparticle/carbon cloth (Co/CC) composite via controlled annealing of a Co-MOF precursor on carbon cloth. The Co-MOF served a dual role as both magnetic source and pore-forming agent, enabling in situ generation of uniformly dispersed Co nanoparticles and creation of abundant pores/interfaces on the CC fibers during pyrolysis. This unique architecture synergistically enhanced dielectric loss (via interfacial/dipolar polarization) and magnetic loss (via natural resonance, exchange interactions, and eddy currents), significantly improving impedance matching. The hierarchical pores further functioned as integrated “absorption–reflection” units for efficient electromagnetic energy attenuation. Consequently, the Co/CC composite annealed at 800°C (Co/CC-800) achieves minimum reflection loss (−40.69 dB) and 120% effective absorption bandwidth extension (6.16 GHz) as a filler, and exhibits superior electromagnetic interference shielding effectiveness (46.66 dB) as an integrated component. Significantly, Co/CC-800 demonstrated robust photothermal and electrothermal conversion capabilities, ensuring operational stability in ice-covered and humid harsh environments. This work pioneers a pore-structure-mediated strategy to harmonize dielectric–magnetic synergy, providing a new paradigm for designing advanced multifunctional electromagnetic protection materials.

dielectric‐magnetic synergy↗
DOE OSTI2022

Entangled phase of simultaneous fermion and exciton condensations realized

Fermion-exciton condensates (FECs)—computationally and theoretically predicted states that simultaneously exhibit the character of superconducting states and exciton condensates—are novel quantum states whose properties may involve a hybridization of superconductivity and the dissipationless flow of energy. Here, we exploit prior investigations of superconducting states and exciton condensates on quantum devices to identify a tuneable quantum state preparation entangling the wave functions of the individual condensate states. Utilizing this state preparation, we prepare a variety of FEC states on quantum computers—realizing strongly correlated FEC states on current, noisy intermediate-scale quantum devices—and verify the presence of the dual condensate via postmeasurement analysis. This confirmation of the previously predicted condensate state on quantum devices as well as the form of its wave function motivates further theoretical and experimental exploration of the properties, applications, and stability of FECs.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Mechanics and Cooling of the CMS Phase-II Tracker Barrel

The CMS upgrade for the High-Luminosity LHC (HL-LHC) era will allow for an incredibly high rate of data collection, to be used in the next generation of precision measurements and searches for beyond the standard model physics. A key element of this upgrade is the full replacement of the silicon strip tracker to enable level-1 triggering on track level primitives, produced by pixel-strip (PS) and strip-strip (2S) modules, tiled together to form the new detector. Mechanically supporting and cooling these modules is not trivial, as material budget in the tracker volume is highly constrained, and as the modules accrue radiation damage they risk becoming entirely non-functional if the silicon sensors are not sufficiently cooled. To address this, each region of the tracker has a bespoke solution for housing and cooling their modules, mostly depending on carbon-fiber and carbon-foam structures, with dual phase CO2 cooling. For the most central part of the tracker, the Flat Barrel with PS modules (Flat TBPS) covers the pseudorapidity range out to $|\eta|=0.4$, and the mechanical structures are manufactured, assembled, and tested entirely by Fermilab and UC Davis. This presentation will describe the intense design and testing requirements for these components, and how they will ensure strong performance of the tracker through the HL-LHC era.

Cosby, Christopher [Fermilab]↗
DOE OSTI2026

Molecular origin of anisotropic shear elastoplasticity in chitin

Chitin nano- and mesoscale structures present in the exoskeleton of crustaceans exhibit exceptional longitudinal stiffness and toughness, rivaling or even exceeding that of many synthetic polymer architectures. Here, we reveal the origin of the asymmetric shear response in chitin multiscale architectures, marked by pronounced anisotropy in deformation. Under shear aligned with the molecular axis, chitin accommodates strain through coherent atomic rearrangements that enable elastic recovery. In contrast, shear applied perpendicular to this axis induces liquid-like plasticity via localized sliding. These results demonstrate the intrinsic mechanical anisotropy of chitin, underpinning a dual function in resisting repetitive loading while dissipating internal stress during high-strain events. Our findings establish the molecular basis of shear elastoplasticity in multiscale chitin structures, wherein axial elasticity supports energy storage in load-bearing regions, whereas transverse plasticity enables controlled energy dissipation. These atomic-scale insights lay a foundation for the predictive design of chitin-based materials with tunable strength-toughness profiles.

Wan, Zhangmin [University of British Columbia, Van↗
DOE OSTI2021

Observation of magnetic adatom-induced Majorana vortex and its hybridization with field-induced Majorana vortex in an iron-based superconductor

Braiding Majorana zero modes is essential for fault-tolerant topological quantum computing. Iron-based superconductors with nontrivial band topology have recently emerged as a surprisingly promising platform for creating distinct Majorana zero modes in magnetic vortices in a single material and at relatively high temperatures. The magnetic field-induced Abrikosov vortex lattice makes it difficult to braid a set of Majorana zero modes or to study the coupling of a Majorana doublet due to overlapping wave functions. Here we report the observation of the proposed quantum anomalous vortex with integer quantized vortex core states and the Majorana zero mode induced by magnetic Fe adatoms deposited on the surface. We observe its hybridization with a nearby field-induced Majorana vortex in iron-based superconductor FeTe 0.55 Se 0.45 . We also observe vortex-free Yu-Shiba-Rusinov bound states at the Fe adatoms with a weaker coupling to the substrate, and discover a reversible transition between Yu-Shiba-Rusinov states and Majorana zero mode by manipulating the exchange coupling strength. The dual origin of the Majorana zero modes, from magnetic adatoms and external magnetic field, provides a new single-material platform for studying their interactions and braiding in superconductors bearing topological band structures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Ruddlesden–Popper Perovskites with Narrow Phase Distribution for Air-Stable Solar Cells

2D Ruddlesden-Popper perovskites have risen to prominence as stable and efficient photovoltaic materials because of their structural diversity, rich photophysics, and low moisture ingression. However, thin films processed from stoichiometric precursor solutions possess a broad phase distribution of different number of inorganic layers with random crystal orientation, crippling device performance. The effect of methylammonium chloride (MACI) and 3-amino4-phenolsulfonic acid (APSA) on the fabrication of perpendicularly oriented (PEA) 2 MA 4 Pb 5 I 16 films with narrow phase distribution using antisolvent and hot-casting processing techniques is investigated. MACI plays a critical role in suppressing parasitic n ≤ 2 and 3D-like phases. APSA performs the dual function of trap passivation and further narrowing phase polydispersity through strong coordination with Pb 2+ . Ex situ grazing-incident wide-angle X-Ray scattering (GIWAXS) and ultrafast spectroscopic characterization reveal uniformly mixed-phase distribution with disordered orientation in antisolvent treated films, while additive-assisted hot-casting treatment results in oriented, reverse-graded phase distribution, i.e., small-n on the film surface and large-n at the bottom. Arising thin films enable efficient p-i-n solar cells with an efficiency of 14.34%, and a V oc of 1.20 V, retaining 96% initial efficiency after 1440 h under ambient conditions (RH = 50-60%) without encapsulation.

36 MATERIALS SCIENCE↗
DOE OSTI2025

In Situ Surface Reconstruction via Lithium Residue Regulation for Direct Recycling of Ni-Rich Cathodes

Surface stability is crucial for the long cycling performance of Ni-rich cathodes, as it dictates and governs side reactions, preserves crystal integrity, and mitigates capacity degradation during cycling. For spent Ni-rich cathodes targeted for one-step direct recycling, constructing a robust and stable surface is particularly challenging because prior cycling induces severe structural and morphological degradation. Here, in this study, we introduce an in situ surface reconstruction strategy that converts surface lithium residues into a protective layer via a direct liquid-phase coating with ammonium dihydrogen phosphate (ADP). During the process, residual lithium remaining after the hydrothermal relithiation is removed, while a conformal lithium phosphate (Li 3 PO 4 , LPO) layer is formed to act as both a chemical barrier and a structural stabilizer. This dual function enhances cycling stability and rate capability in regenerated cathodes, and the approach is applicable to various Ni-rich compositions including spent LiNi 0.6 Co 0.2 Mn 0.2 O 2 (NCM622) and scrap LiNi 0.866 Mn 0.066 Co 0.05 Al 0.018 O 2 (NCMA). Its scalability and compositional versatility make it a promising route for sustainable regeneration of high-performance cathode materials.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Facile Decomposition of Organophosphonates by Dual Lewis Sites on a Fe 3 O 4 (111) Film

Dimethyl methylphosphonate (DMMP) is used as a simulant for toxic nerve agents and pesticides, rendering the understanding of surface chemistry requisite to design effective materials for organophosphonate (catalytic) decomposition at room temperature. In this work, DMMP surface chemistry is studied on an iron oxide surface in a very well-defined environment using temperature-programmed reaction, isotopic labeling, scanning tunneling microscopy, X-ray photoelectron spectroscopy, and density functional theory. DMMP, (CH 3 O) 2 P(O)(CH 3 ), dissociates to yield methoxy and methyl methylphosphonate, (CH 3 O)P(O) 2 (CH 3 ), on the surface at room temperature. At higher temperatures, dimethyl ether is formed via intramolecular reaction, followed by the formation of formaldehyde and methanol from adsorbed methoxy decomposition during temperature-programmed reaction. Ultimately, stochiometric combustion at 870 K produces CO, H 2 C=O, and CO 2 via reaction with lattice oxygen, with PO x remaining on the surface. Excess oxygen from the bulk is required to drive these higher temperature pathways. Neither hydrolysis nor a photoreaction is observed, when exposing the adsorbed DMMP to water or light above the band gap, respectively. No evolution of P-containing species is detected, indicating efficient trapping of this contaminant. The activity for DMMP decomposition at room temperature is reduced by the accumulation of PO x . However, a significant amount of reaction persists after multiple temperature-programmed reaction experiments.

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

Intercalative Redox Tuning for Cu/Li x Mn 2 O 4 -Catalyzed Oxidative Alkyne Coupling

Modulation of heterogeneous catalyst structure is ubiquitous within efforts to improve catalytic activity and selectivity at the molecular level. Herein, manganese oxide (MnO 2 ) is employed as a continuously tunable catalyst support through increasing extent of lithium intercalation and reduced surface potential. Oxidative grafting of an organocopper complex onto various lithium manganese oxides (Li x Mn 2 O 4 , x = 0-2.1) produced divalent and monovalent copper species on the partially reduced (0 ≤ x ≤ 1.2) and fully reduced (x = 2.1) surfaces, respectively, as determined by X-ray absorption fine structure (XAFS) analysis. In this study, the resultant materials are catalytically active for the oxidative coupling of terminal alkynes, with steady-state reaction rate data of oxidative propyne dimerization (200 °C, 0.6-2.4 kPa propyne, 2.4-9.9 kPa O 2 ) indicating that complete support lithiation (Li 2.1 Mn 2 O 4 ) provides increased catalytic performance and renders reoxidation steps less kinetically demanding compared to the unreduced parent material. Enacting a dual site (Cu and MnO x ) kinetic model can account for dimerization rates measured over Cu/Li 2.1 Mn 2 O 4 under various reactant concentrations, copper loadings, and surface coverages, providing supporting evidence for the synergistic role of the metal and support in facilitating the coupling reaction. Overall, results presented here provide an extension for general strategies of systematically controlling catalytic structure and function through lithium reduction of bulk oxides and subsequent electronic modulation of the metals supported thereon.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗