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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 OSTI2025

Development of a thermal creep model for aluminum alloy 6061 cladding in U-10Mo monolithic fuel plates

Plate-type fuel elements consisting of a high-density, low-enriched uranium (LEU) U–10Mo-based fuel foil encapsulated in an aluminum alloy (AA) cladding are fabricated using the hot isostatic pressing (HIP) technique. During the HIP process, the fuel plate system is heated to 560 °C, then cooled to room temperature. This heat cycle significantly affects the mechanical properties of the aluminum cladding, and experimental investigations have shown that, post-HIP bonding, the mechanical properties of the aluminum cladding transition from those of AA 6061-T6 to something closer to the O temper. More specifically, the ultimate strength of the cladding decreases while its ductility increases, making it challenging to capture the changes in mechanical behavior and material properties. Understanding the residual stresses generated during the HIP process is critical for assessing the fuel plate’s integrity under various temperature, pressure, and irradiation. To simulate the HIP bonding process, the elastic, plastic, and thermal properties of the cladding are assumed to be similar to those of AA 6061-O temper. However, the primary challenge lies in the lack of available data for the creep model of the AA 6061 cladding during this transient process of HIP. The present study focuses on developing a computational model that predicts the creep behavior of the aluminum cladding in the fuel plates during the HIP process, as cladding creep significantly influences the residual stresses generated in U-10Mo fuel plates during HIP fabrication. Furthermore, as HIP bonding occurs at high temperatures that are nearing the melting point of aluminum, the present work considered a temperature-dependent Arrhenius-type creep model. In particular, a hyperbolic sine creep model is employed to estimate the creep properties of the as-fabricated aluminum cladding. In conclusion, the residual stresses predicted in the U-10Mo fuel when using the newly calibrated creep model closely align with the experimental measurements, validating the model’s accuracy.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Synthesis, Stability, and Magnetic Properties of Antiperovskite Co 3 PdN

Experimental synthesis and characterization of theoretically predicted compounds are important steps in the materials discovery pipeline. Here, we report on the synthesis of Co 3 PdN, which was recently predicted to be a stable magnetic antiperovskite. The Co 3 PdN thin films were grown by reactive sputtering and were confirmed to form in an antiperovskite crystal structure. The thermal stability of the compound is demonstrated up to 600 K by in situ X-ray diffraction, though the phase persists at slightly higher temperatures (700 K) in an air-free magnetometer. Both ab initio calculations and magnetization measurements find Co 3 PdN to be ferromagnetic with an experimentally determined Curie temperature of T C = 560 ± 5 K. The saturation magnetization of 1.2 μ B /Co found in the experiment is slightly lower than the 1.7 μ B /Co value expected by theory. A narrow magnetic hysteresis loop with a coercive field of 100 Oe at low temperature suggests that Co 3 PdN might be useful in electronic applications requiring fast switching of the magnetization vector. While prior prediction of Co 3 PdN showed a gapped electronic band structure for each spin channel, we show that this was due to incomplete sampling of Brillouin zone paths and that band crossings exist along R-X|M and X|M-R paths. The metallic nature of Co 3 PdN is further confirmed by temperature-dependent transport measurements, which also show a considerable anomalous Hall effect. Altogether, this work represents an appreciable step toward understanding the synthesis, structure, stability, and properties of a new magnetic material.

14 SOLAR ENERGY↗
DOE OSTI2025

PySIDT: Subgraph Isomorphic Decision Trees for Molecular Property Prediction

Accurate molecular property prediction is important across all fields of chemistry. Deep neural networks (DNNs) have become increasingly popular due to their ability to train automatically, avoiding the incredibly tedious process of constructing and extending traditional property estimation schemes. However, DNNs require large amounts of training data, are challenging to interpret, require large amounts of memory to load even during inference, and have severe difficulties incorporating qualitative chemical knowledge, which are often desired for molecular property prediction tasks. Here, in this study, we present PySIDT (https://github.com/zadorlab/PySIDT), a software for training and running inference on Subgraph Isomorphic Decision Trees (SIDTs). SIDTs are graph-based decision trees made of nodes associated with molecular substructures. Inference is done by descending target molecular structures down the decision tree to nodes with matching subgraph isomorphic substructures and making predictions based on the final (most specific) nodes matched. SIDTs scale down well to dataset sizes much smaller than is feasible for DNNs. As trees of molecular substructures, SIDTs are inherently readable and easy to visualize, making them easy to analyze. They are also straightforward to extend and retrain, facilitate uncertainty estimation, and enable easy integration of expert knowledge. We demonstrate the SIDT approach discussing its application to a diverse range of molecular prediction tasks: rate coefficient estimation, diffusion coefficient estimation, thermochemistry estimation, transition state bond stretch prediction, p K a prediction, stability of molecular structures, stability of surface structures, and prediction of surface lateral interaction energetics. Additionally, we demonstrate the power of the SIDT algorithms in two direct learning curve vanilla comparisons with the popular DNN-based software Chemprop and the popular gradient boosted trees-based software XGBoost on enthalpy of formation and rate coefficient prediction tasks. In particular, in the enthalpy of formation case, vanilla PySIDT is able to outperform vanilla Chemprop and XGBoost across the full range of training/validation set sizes out to 11,560 data points.

Johnson, Matthew Sean [Sandia National Laboratorie↗
DOE OSTI2021

Extremely Slow Trap-Mediated Hole Relaxation in Room-Temperature InP/ZnSe/ZnS Quantum Dots

Time-resolved photoluminescence (PL) and transient absorption (TA) spectroscopy have been used to elucidate the hole relaxation dynamics in high-quality InP/ZnSe/ZnS quantum dots (QDs) at room temperature. In QDs having an In/P ratio close to 1:1, hole cooling is fast compared to the ~40 ps time-correlated photon-counting instrument response. However, in QDs that luminesce at wavelengths greater than around 600 nm and have excess indium, a significant fraction of the PL exhibits a slower rise time. In this case, the PL rises over a range of timescales varying from close to the instrument response to approximately 300–400 ps. The time constant of the slowest component increases with increasing InP core size and the fraction of the PL that has the slow rise time increases with excess indium in the particle. In all cases, a slow rise time and any spectral evolution on that timescale are absent in the TA results, indicating that the slow dynamics may be assigned to relaxation in the valence band. QDs emitting at wavelengths below 560 nm show very different dynamics, exhibiting a barely detectable <50 ps rise time. Based on these results and measured elemental compositions, the slow hole relaxation is assigned to the transient population of indium-based traps in the ZnSe shell that are above the valence band edge only for the larger, red-emitting QDs. Here, the relative trap to band edge relaxation rates can be understood in terms of effective mass approximation hole wave function calculations, which show that the relaxation rate is largely determined by the extent to which the hole wave function in the lowest exciton penetrates into the ZnSe shell, overlapping the trapped-hole wave functions.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

The Role of Surface Hydroxyls in Dehydration and Dehydrogenation of Formic Acid on Fe 3 O 4 (001)

Understanding the role of surface structure and hydroxylation in catalytic reactions on metal oxide surfaces is important for developing a mechanistic insight into the complex interface processes. Here, we investigate the reactivity of formic acid on reconstructed Fe 3 O 4 (001) using a combination of X-ray photoelectron spectroscopy, infrared reflection absorption spectroscopy, temperature-programmed reaction spectroscopy, low energy electron diffraction, and electronic structure calculations. We find that formic acid initially dissociates at low temperatures (< 80 K) into bidentate formate and a hydroxyl up to an initial dosed coverage of two HCOOH per Fe 3 O 4 (001) unit cell. At higher temperatures (> 450 K), formate largely decomposes along the dehydration pathway, producing CO and H 2 O, with dehydrogenation to CO 2 being a minority side reaction. As a first step, water formation leads to surface oxygen extraction via the Mars-van Krevelen mechanism. Computational studies reveal formate embedded in oxygen vacancies as a key intermediate in the CO formation mechanism. CO formation proceeds via two reaction pathways with desorption that peaks at 530 K on the hydroxyl-rich surface and 560 K on the hydroxyl-deficient surface. Atomic hydrogen coadsorption experiments and ab initio calculations reveal that the presence of surface hydroxyls reduces the CO formation barrier. Furthermore, these results highlight the complex interactions between substrate and intermediate species occurring during reactions on metal oxide surfaces.

Adsorption↗
DOE OSTI2024

Upconversion on the Micrometer Scale: Impact of Local Heterogeneity

The properties of perovskite/naphtho[2,3-a]pyrene (NaPy) upconversion devices are investigated by a combination of atomic force microscopy and photoluminescence mapping to understand the role of microscopic heterogeneity in the ensemble device properties. The results emphasize strong microscopic inhomogeneity across the perovskite/NaPy upconversion device due to local formation of NaPy microcrystals. NaPy shows emission from three distinct states in the solid state: S 1 ′ emission at 520 nm, excimer emission at 560 nm, and S 1 ″ emission at 620 nm. Clear spatial differences in the emission spectrum under 405 nm excitation are found, highlighting that there is a strong microcrystal-to-microcrystal variation in the optical properties─emphasizing a need for multimodal measurements. Furthermore, our results indicate that microcrystals with strong emission from the strongly coupled low-energy state S 1 ″ (J-dimer) show much higher upconversion intensity than those with dominant emission from the high-energy S 1 ′ state (I-aggregate). Hence, our results suggest that microcrystals with strong emission from the low-energy state S 1 ″ act as isolated hotspots for upconversion.

Crystals↗
DOE OSTI2025

Versatile Liquid Crystal Elastomer Formulations Using Amine-Acrylate Chemistry and Processing for Advanced Manufacturing

This study aims to tune rheological properties of liquid crystal elastomers (LCEs) through a strategic approach, leveraging the differing reaction rates of thiols and primary and secondary amines with acrylate monomers or the inclusion of processing additives to enable amenability to advanced manufacturing. We found that varying the time of oligomerization at elevated temperatures of amine-functional monomers with acrylate-functional monomers enabled simple control of rheological properties. Additionally, we could also control rheological properties by introducing reinforcing fillers or organic solvents. By varying the oligomerization conditions, we achieved a broad range of viscosities, from 1.1 Pa s to 560 Pa s as measured at 60 °C. When the rheological properties were varied through the incorporation of various solid and liquid inclusions, viscosities could range from less than 1 Pa s to nearly 1000 Pa s when measured at 60 °C. The shape morphing capabilities that are intrinsic to LCEs and the mechanical properties were also characterized. Here, we find that the oligomerization conditions and the addition of fillers influence shape morphing and energy absorption, as characterized by the stress–strain characteristics, further suggesting their potential to be used in energy dissipation applications where performance can be turned. Last, we demonstrate how the range of accessible rheological properties grants formulations amenable to various advanced manufacturing techniques.

Liquid chromatography↗
DOE OSTI2021

Broadband Plasmonic Photocurrent Enhancement from Photosystem I Assembled with Tailored Arrays of Au and Ag Nanodisks

Plasmonic interactions between metal nanostructures and fluorophores have been increasingly employed to alter photoexcitation pathways in multichromophore photosynthetic proteins like photosystem I (PSI). Our recent experimental studies demonstrated a sixfold plasmon-enhanced photocurrent from PSI assembled on Fischer patterns of Ag nanopyramids. However, lack of control over the specific resonance modes limited the magnitude and selectivity of the plasmonic enhancement. To this end, the present study investigates the excitation wavelength-dependent plasmon-enhanced photocurrents from PSI immobilized around highly ordered Au (AuND) and Ag (AgND) nanodisks with dipolar plasmon resonances that are tuned to ~680 and 560 nm, respectively. Specifically, we report plasmon-induced photocurrent enhancements of ~6.8 and 17.5 for excitation wavelengths of ~680 and 565 nm, respectively, as compared to PSI assembled on planar ITO substrates. We also report the action spectra for photocurrent enhancements recorded over wavelengths of 395–810 nm with nine discrete LED light sources. The results indicate the following: (1) concurrence between the photocurrent-enhancement spectra from PSI assemblies and the plasmonic resonances for the respective nanopatterned substrates, and (2) broadband photocurrent enhancements due to plasmon-coupled photoactivation in the otherwise blind chlorophyll regions of the native PSI absorption spectra. Lastly, these intriguing findings pave the path for rational assembly of future biohybrid structures composed of natural light-harvesting antennae and plasmonic metal nanostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Sulfur Tolerant Subnanometer Fe/Alumina Catalysts for Propane Dehydrogenation

A series of Al 2 O 3 -supported Fe-containing catalysts were synthesized by incipient wetness impregnation. The iron surface density was varied from 1 to 13 Fe atoms/nm 2 spanning submonolayer to above-monolayer coverage. Here, the resulting supported Fe-catalysts were characterized by N 2 physisorption, ex situ X-ray diffraction (XRD), X-ray pair distribution function (PDF), X-ray absorption spectroscopy (XAS), aberration corrected scanning transmission electron microscopy (AC-STEM) and chemically probed by hydrogen temperature-programmed reduction (H 2 -TPR). The results suggest that over this entire range of loadings, Fe was present as dispersed species, with only a very small fraction of Fe 2 O 3 aggregates, at the highest Fe loading in oxide phase. The in situ sulfidation of Fe/Al 2 O 3 resulted in the formation of a highly active and selective PDH catalyst. The highest activity with 52% propane conversion and ~99% propylene selectivity at 560 °C was obtained for the 6.4 Fe/Al 2 O 3 -S catalyst, suggesting that this is the highest amount of Fe that could be fully dispersed on the support in sulfided form. XRD and AC-STEM indicated the absence of any crystalline iron sulfide aggregates after sulfidation and reaction. H 2 -TPR results indicated that the amount of the reducible Fe sites in the sulfided catalyst remained constant above monolayer coverage, and increasing loading did not increase the number of reducible Fe sites. Consistent with these results, the reactivity per gram of catalyst showed no increase with Fe loading above monolayer coverage, suggesting that additional Fe remains conformal to the alumina surface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Atomically Dispersed Tin-Modified $\gamma$-alumina for Selective Propane Dehydrogenation under H 2 S Co-feed

Developing an earth-abundant catalyst that is sulfur-tolerant, active, and highly selective is of great interest for valorizing natural gas streams containing sour gas. Here, a tin-modified alumina catalyst is reported that is stable and selective for propane dehydrogenation in the presence of percent quantities of H 2 S in the feed. In particular, Sn/Al 2 O 3 –S catalysts with 1.5–5% Sn content exhibit 98% selectivity with up to 16% conversion at 560 °C during the fourth cycle. Experimental and computational characterization shows that the active sites are the defect tricoordinated Al atoms. H 2 S pretreatment further modifies a portion of these sites via exchanging a neighboring oxygen atom with sulfur, thereby rendering them more active and selective. At low loadings, Sn is atomically dispersed and selectively binds to hydroxyl groups or oxygen atoms on Al 2 O 3 . This prevents the formation of original (unmodified) defect sites on Al 2 O 3 and improves overall selectivity. The activity and selectivity of the catalyst are heavily dependent on the chemical potential of sulfur and hydrogen because they influence both the relative concentration of the two types of sites and the overall reaction mechanism. Finally, the catalyst can be regenerated fully under a pure H 2 S stream, thereby precluding treatment under oxygen, which can lead to sintering.

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

Directing Charge Carriers and Ferroelectric Domains at Lateral Interfaces in van der Waals Heterostructures

Emergent phenomena in traditional ferroelectrics are frequently observed at heterointerfaces. Accessing such functionalities in van der Waals ferroelectrics requires the formation of layered heterostructures, either vertically stacked (similar to oxide ferroelectrics) or laterally stitched (without equivalent in 3D-crystals). Here, we investigate lateral heterostructures of the ferroelectric van der Waals semiconductors SnSe and SnS. A two-step process produces ultrathin crystals comprising an SnSe core laterally joined to an SnS edge-band, as confirmed by Raman spectroscopy, transmission electron microscopy (TEM) imaging, and electron diffraction. TEM shows a moiré pattern across the SnSe core due to coverage by an ultrathin SnS layer. The ability of the lateral interface (IF) to direct excited carriers, probed by cathodoluminescence, shows electron transfer over 560 nm diffusion length from the SnS edge-band. Large, thin flakes supporting ferroelectricity allow investigating domains and domain wall interactions in uniform crystals and lateral heterostructures. Polarized optical microscopy of sub-20 nm flakes consistently shows ⟨110⟩ oriented stripe domains with mirror-twin domain walls. Heterostructures adopt two domain configurations, with domains either constrained to the SnSe core or propagating across the entire SnSe–SnS flakes. Furthermore, the combined results demonstrate multifunctional van der Waals heterostructures with high-quality IFs presenting extraordinary opportunities for manipulating carrier flows and ferroelectric domain patterns.

2D ferroelectrics↗
DOE OSTI2025

Electrocatalytic Ammonia Oxidation by Pyridyl-Substituted Ferrocenes

Ammonia (NH 3 ) is a promising carbon-free fuel when prepared from sustainable resources. First-row transition metal electrocatalysts for ammonia oxidation are an enabling technology for sustainable energy production. We describe electrocatalytic ammonia oxidation using robust molecular complexes based on Earth-abundant iron. Electrochemical studies of ferrocenes with covalently attached pyridine arms reveal facile ammonia oxidation in DMSO (2.4 M NH 3 ) with modest overpotentials (η = 770–820 mV) and turnover frequencies (125–560 h –1 ). Experimental and computational studies indicate that the pendant pyridyl base serves as an H-bond acceptor with an N–H bond of ammonia that transfers a proton to the pyridine following oxidation by the attached ferrocenium moiety in a proton-coupled electron transfer (PCET) step. This generates an amidyl (•NH 2 ) radical stabilized via H-bonding to a pendant pyridinium moiety that rapidly dimerizes to hydrazine (H 2 N–NH 2 ), which is easily oxidized to nitrogen (N 2 ) at the glassy carbon working electrode. This report identifies a general strategy to oxidize ammonia via H-bonding to a base (B:), thereby activating [B···H-NH 2 ] toward PCET by a proximal oxidant to form [BH···NH 2 ] +/• radical cations, which are susceptible to dimerization to form easily oxidized hydrazine.

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

The Global Biogeochemical Cycle of Rhenium

Here, this paper is the first comprehensive synthesis of what is currently known about the different natural and anthropogenic fluxes of rhenium (Re) on Earth's surface. We highlight the significant role of anthropogenic mobilization of Re, which is an important consideration in utilizing Re in the context of a biogeochemical tracer or proxy. The largest natural flux of Re derives from chemical weathering and riverine transport to the ocean (dissolved = 62 × 10 6 g yr -1 and particulate = 5 × 10 6 g yr -1 ). This review reports a new global average [Re] of 16 ± 2 pmol L -1 , or 10 ± 1 pmol L -1 for the inferred pre-anthropogenic concentration without human impact, for rivers draining to the ocean. Human activity via mining (including secondary mobilization), coal combustion, and petroleum combustion mobilize approximately 560 × 10 6 g yr -1 Re, which is more than any natural flux of Re. There are several poorly constrained fluxes of Re that merit further research, including: submarine groundwater discharge, precipitation (terrestrial and oceanic), magma degassing, and hydrothermal activity. The mechanisms and the main host phases responsible for releasing (sources) or sequestrating (sinks) these fluxes remain poorly understood. This study also highlights the use of dissolved [Re] concentrations as a tracer of oxidation of petrogenic organic carbon, and stable Re isotopes as proxies for changes in global redox conditions.

58 GEOSCIENCES↗
DOE OSTI2024

Spin-EPR-pair separation by conveyor-mode single electron shuttling in Si/SiGe

Long-ranged coherent qubit coupling is a missing function block for scaling up spin qubit based quantum computing solutions. Spin-coherent conveyor-mode electron-shuttling could enable spin quantum-chips with scalable and sparse qubit-architecture. Its key feature is the operation by only few easily tuneable input terminals and compatibility with industrial gate-fabrication. Single electron shuttling in conveyor-mode in a 420 nm long quantum bus has been demonstrated previously. Here we investigate the spin coherence during conveyor-mode shuttling by separation and rejoining an Einstein-Podolsky-Rosen (EPR) spin-pair. Compared to previous work we boost the shuttle velocity by a factor of 10000. We observe a rising spin-qubit dephasing time with the longer shuttle distances due to motional narrowing and estimate the spin-shuttle infidelity due to dephasing to be 0.7% for a total shuttle distance of nominal 560 nm. Shuttling several loops up to an accumulated distance of 3.36 μm, spin-entanglement of the EPR pair is still detectable, giving good perspective for our approach of a shuttle-based scalable quantum computing architecture in silicon.

42 ENGINEERING↗
DOE OSTI2025

Vacancy-induced suppression of charge density wave order and its impact on magnetic order in kagome antiferromagnet FeGe

Two-dimensional (2D) kagome lattice metals are interesting because their corner sharing triangle structure enables a wide array of electronic and magnetic phenomena. Recently, post-growth annealing is shown to both suppress charge density wave (CDW) order and establish long-range CDW with the ability to cycle between states repeatedly in the kagome antiferromagnet FeGe. Here we perform transport, neutron scattering, scanning transmission electron microscopy (STEM), and muon spin rotation (μSR) experiments to unveil the microscopic mechanism of the annealing process and its impact on magneto-transport, CDW, and magnetism in FeGe. Annealing at 560 °C creates uniformly distributed Ge vacancies, preventing the formation of Ge-Ge dimers and thus CDW, while 320 °C annealing concentrates vacancies into stoichiometric FeGe regions with long-range CDW. The presence of CDW order greatly affects the anomalous Hall effect, incommensurate magnetic order, and spin-lattice coupling in FeGe, placing FeGe as the only kagome lattice material with tunable CDW and magnetic order.

critical phenomena↗
DOE OSTI2025

Delving into the depths of NGC 3783 with XRISM

We present our study of the X-Ray Imaging and Spectroscopy Mission (XRISM) observation of the Seyfert-1 galaxy NGC 3783. XRISM’s Resolve microcalorimeter has enabled, for the first time, a detailed characterization of the highly ionized outflows in this active galactic nucleus. Our analysis constrains their outflow and turbulent velocities, along with their ionization parameter (ξ) and column density (N H ). The high-resolution Resolve spectrum reveals a distinct series of Fe absorption lines between 6.4 and 7.8 keV, ranging from Fe XVIII to Fe XXVI. At lower energies (1.8−3.3 keV), absorption features from Si, S, and Ar are also detected. Our spectroscopy and photoionization modeling of the time-averaged Resolve spectrum uncovers six outflow components, five of which exhibit relatively narrow absorption lines with outflow velocities ranging from 560 to 1170 km s −1 . In addition, a broad absorption feature is detected, which is consistent with Fe XXVI outflowing at 14 300 km s −1 (0.05 c). The kinetic luminosity of this component is 0.8−3% of the bolometric luminosity. Our analysis of the Resolve spectrum shows that more highly ionized absorption lines are intrinsically broader than those of lower-ionization species, indicating that the turbulent velocity of the six outflow components (ranging from 0 to 3500 km s −1 ) increases with ξ. Furthermore, we find that the column density (N H ) of the outflows generally declines with the ionization parameter up to log ξ = 3.2 but rises beyond this point, suggesting a complex ionization structure. The absorption profile of the Fe XXV resonance line is intriguingly similar to UV absorption lines (Lyα and C IV) observed by the Hubble Space Telescope, from which we infer that the outflows are clumpy in nature. Our XRISM/Resolve results from lower- and higher-ionization regimes support a “hybrid wind” scenario in which the observed outflows have multiple origins and driving mechanisms. We explore various interpretations of our findings within active galactic nucleus wind models.

X-rays: galaxies↗
DOE OSTI2020

Pumped Thermal Electricity Storage with Supercritical CO2 Cycles and Solar Heat Input

Pumped Thermal Electricity Storage (PTES) is an energy storage device that uses grid electricity to drive a heat pump that generates hot and cold storage reservoirs. This thermal potential is later used to power a heat engine and return electricity to the grid. In this article, a PTES variant that uses supercritical carbon dioxide (sCO2) as the working fluid is introduced. sCO2-PTES cycles have higher work ratios and power densities than the systems based on ideal gases that have been investigated to date. Furthermore, sCO2- PTES cycles may achieve higher round-trip efficiencies for a given hot storage temperature (up to 78% at 560°C). The sensitivity of PTES cycles to loss factors such as isentropic efficiencies and temperature differences between the power cycle and storage fluid is investigated. A second concept whereby an sCO2- PTES cycle is integrated with concentrating solar power (CSP) is introduced. This concept ‘time-shifts’ the recompression of an sCO2 recompression cycle to a period of lower electricity prices and stores the heat. When solar heat is dispatched, the recompressor may be avoided as the required heat is obtained from storage, thereby leading to increased heat engine efficiencies. The net work output of this integrated system is 10-18% greater than the conventional recompression cycle. Combining PTES with a CSP power cycle is therefore shown to improve the dispatch of solar heat as well as providing electricity storage services.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2021

Techniques for studying materials under extreme states of high energy density compression

The properties of materials under extreme conditions of pressure and density are of key interest to a number of fields, including planetary geophysics, materials science, and inertial confinement fusion. In geophysics, the equations of state of planetary materials, such as hydrogen and iron, under ultrahigh pressure and density provide a better understanding of their formation and interior structure [Celliers et al., “Insulator-metal transition in dense fluid deuterium,” Science 361, 677–682 (2018) and Smith et al., “Equation of state of iron under core conditions of large rocky exoplanets,” Nat. Astron. 2, 591–682 (2018)]. The processes of interest in these fields occur under conditions of high pressure (100 GPa–100 TPa), high temperature (>3000 K), and sometimes at high strain rates (>103 s−1) depending on the process. With the advent of high energy density (HED) facilities, such as the National Ignition Facility (NIF), Linear Coherent Light Source, Omega Laser Facility, and Z, these conditions are reachable and numerous experimental platforms have been developed. To measure compression under ultrahigh pressure, stepped targets are ramp-compressed and the sound velocity, measured by the velocity interferometer system for any reflector diagnostic technique, from which the stress-density of relevant materials is deduced at pulsed power [M. D. Knudson and M. P. Desjarlais, “High-precision shock wave measurements of deuterium: Evaluation of exchange-correlation functionals at the molecular-to-atomic transition,” Phys. Rev. Lett. 118, 035501 (2017)] and laser [Smith et al., “Equation of state of iron under core conditions of large rocky exoplanets,” Nat. Astron. 2, 591–682 (2018)] facilities. To measure strength under high pressure and strain rates, experimenters measure the growth of Rayleigh–Taylor instabilities using face-on radiography [Park et al., “Grain-size-independent plastic flow at ultrahigh pressures and strain rates,” Phys. Rev. Lett. 114, 065502 (2015)]. The crystal structure of materials under high compression is measured by dynamic x-ray diffraction [Rygg et al., “X-ray diffraction at the national ignition facility,” Rev. Sci. Instrum. 91, 043902 (2020) and McBride et al., “Phase transition lowering in dynamically compressed silicon,” Nat. Phys. 15, 89–94 (2019)]. Medium range material temperatures (a few thousand degrees) can be measured by extended x-ray absorption fine structure techniques, Yaakobi et al., “Extended x-ray absorption fine structure measurements of laser-shocked V and Ti and crystal phase transformation in Ti,” Phys. Rev. Lett. 92, 095504 (2004) and Ping et al., “Solid iron compressed up to 560 GPa,” Phys. Rev. Lett. 111, 065501 (2013), whereas more extreme temperatures are measured using x-ray Thomson scattering or pyrometry. This manuscript will review the scientific motivations, experimental techniques, and the regimes that can be probed for the study of materials under extreme HED conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗