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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 1,153 records · Page 64
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Crystal structures and comparisons of potassium rare-earth molybdates KRE(MoO 4 ) 2 (RE = Tb, Dy, Ho, Er, Yb, and Lu)

Six potassium rare-earth molybdates KRE(MoO 4 ) 2 (RE = Tb, Dy, Ho, Er, Yb, and Lu) were synthesized by flux-assisted growth in K 2 Mo 3 O 10 . The crystal structures were determined using single-crystal X-ray diffraction data. The synthesized molybdates crystallize with the orthorhombic Pbcn space group (No. 60). Trendlines for unit-cell parameters were calculated using data from the current study. The unit-cell parameters a and c increase linearly whereas b decreases with larger RE cations, based on crystal radii. The unit-cell volumes increase linearly and the densities decrease linearly with larger RE cations. The average distances between the RE cations and the nearest O atoms increase with larger cations whereas the average distances of Mo—O and K—O do not show specific trends.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Filtered Multi-Tone Spread Spectrum With Overlapping Subbands

A new form of the filter bank multi-carrier spread spectrum (FBMC-SS) waveform is presented. This new waveform modifies the filtered multi-tone spread spectrum (FMT-SS) system, and is intended to whiten the power spectral density (PSD) of the transmit signal. In the conventional FMT-SS, subcarrier bands are non-overlapping, leaving a spectral null between the adjacent subcarrier bands. To make FMT-SS more appealing for a broader set of applications than those studied in the past, we propose adding additional subcarriers centered at these nulls and thoroughly explore the impact of the added subcarriers on the system performance. This modified form of FMT-SS is referred to as overlapped FMT-SS (OFMT-SS). We explore the conditions required for maximally flattening the PSD of the synthesized OFMT-SS signal and for cancelling the interference caused by overlapping subbands. We also explore the choices of spreading gains that result in a low peak-to-average power ratio (PAPR) for a number of different scenarios. Further reduction of the PAPR of the synthesized signal through clipping methods is also explored. Additionally, we propose methods of multi-coding for increasing the data rate of the OFMT-SS waveform, while minimally impacting its PAPR.

42 - ENGINEERING↗
DOE OSTI2020

Fault Response of Distributed Energy Resources Considering the Requirements of IEEE 1547-2018

Inverter-based DER responses to faults on the electric power system are different than those of conventional generators and are often poorly understood. Inverter fault responses are largely software-defined, within physics-based constraints. DERs are regulated by standards and grid codes that also constrain their responses. Though fault response of DERs will vary widely, for any DER following any particular standard, a pattern of fault response can be synthesized by observing that particular standard. In this paper, the recently published IEEE 1547-2018 is examined to explore the general fault response of any DER that follows IEEE 1547-2018. Additionally, an IEEE 1547-2018 compliant inverter model is developed and tested in simulation to find the fault response, and that response is compared with the fault response of a commercial off-the-shelf inverter.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2024

Cloud-based Testbed for Adaptive Under-Frequency Load Shedding with High DER Penetration

Increasing penetration of distributed energy resources and behind-the-meter renewables may soon disrupt the efficacy of critical protection schemes, such as under-frequency load shedding (UFLS). Improved data exchange and coordination across the transmission-distribution boundary will be required to maintain reliability of bulk electric system. Standards-based data integration platforms using agreed-upon semantic vocabularies, such as the Common Information Model, will be key to enabling adaptive protection schemes requiring synthesized data from both the bulk power system and behind-the-meter resources. This paper introduces a cloud-based open-source data integration environment and UFLS clustering algorithm being developed to enable adaptive relay coordination between transmission and distribution utilities in the state of Vermont.

Anderson, Alexander A.↗
DOE OSTI2023

Learning Provably Stable Local Volt/Var Controllers for Efficient Network Operation

Here this paper develops a data-driven framework to synthesize local Volt/Var control strategies for distributed energy resources (DERs) in power distribution grids (DGs). Aiming to improve DG operational efficiency, as quantified by a generic optimal reactive power flow (ORPF) problem, we propose a two-stage approach. The first stage involves learning the manifold of optimal operating points determined by an ORPF instance. To synthesize local Volt/Var controllers, the learning task is partitioned into learning local surrogates (one per DER) of the optimal manifold with voltage input and reactive power output. Since these surrogates characterize efficient DG operating points, in the second stage, we develop local control schemes that steer the DG to these operating points. We identify the conditions on the surrogates and control parameters to ensure that the locally acting controllers collectively converge, in a global asymptotic sense, to a DG operating point agreeing with the local surrogates. We use neural networks to model the surrogates and enforce the identified conditions in the training phase. AC power flow simulations on the IEEE 37-bus network empirically bolster the theoretical stability guarantees obtained under linearized power flow assumptions. The tests further highlight the optimality improvement compared to prevalent benchmark methods.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Alterations in soil pH emerge as a key driver of the impact of global change on soil microbial nitrogen cycling: Evidence from a global meta-analysis

Soil nitrogen (N) cycling is critical to the productivity of terrestrial ecosystems. However, the impact of global change factors (GCFs) on the microbial mediators of N cycling pathways has yet to be synthesized, and it also remains unclear whether the response of the abundance of N-cycling genes can predict changes in their corresponding processes. We synthesized 8322 paired observations of soil microorganisms related to N cycling from field experiments in which GCFs (climate change and nutrient addition) were manipulated. We found that the abundance of soil microbes and most N-cycling genes were resistant to elevated CO 2 , experimental warming and water addition/reduction; however, N addition and the combination of N addition with other GCFs significantly increased the abundance of ammonia oxidizer bacteria (amoA-AOB). The results indicated that in steady-state (natural) conditions, the main factors driving the global abundance of soil bacteria, archaea and N-cycling genes varied in terms of the contributions of climatic and edaphic factors. However, upon manipulation of GCFs, the induced change in soil pH was the most essential factor associated with changes in the abundance of soil microbes and N-cycling genes. Notably, the changes in ammonia-oxidizing archaea (amoA-AOA) and amoA-AOB genes, in addition to genes involved in denitrification (nirS and nirK), were significantly correlated with the rates of their corresponding processes, but GCF-induced shifts in the potential nitrification rate (PNR) were explained well by changes in the abundance of the amoA-AOB gene under GCFs. In conclusion, our study highlights how ongoing GCFs impact the abundance of soil microbes and N-cycling genes, which might have a profound impact on terrestrial N cycling. Our field-based results provide new insights into the drivers of the abundance of soil microbes and N-cycling genes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Effects of Al:Si and (Al + Na):Si ratios on the properties of the international simple glass, part I: Physical properties

Understanding composition-structure-property relationships of high-alumina nuclear waste glasses are important for vitrification of nuclear waste at the Hanford Site. Two series of glasses were designed, one with varying Al:Si ratios and the other with (Al+Na):Si ratios based on the International Simple Glass (ISG, a simplified nuclear waste model glass), with Al2O3 ranging from 0 to 23 mol % (0 to 32 wt. %). The glasses were synthesized and characterized using electron probe microanalysis, X-ray photoelectron spectroscopy, small angle X-ray scattering, high temperature oxide melt solution calorimetry, and infrared spectroscopy. Glasses were crystal free, and the lowest Na2O and Al2O3 glass formed an immiscible glass phase. Evolution of various properties - glass transition temperature, percentage of 4-coordinated B, enthalpy of glass formation - and infrared spectroscopy results indicate that structural effects differ based on the glass series.

Nuclear Waste Glass↗
DOE OSTI2023

Solubility behavior and thermodynamic modeling of sodium monosulfoaluminate (“U‐phase”) in cementitious systems

Abstract The “U‐phase,” a sodium‐containing (alumino‐ferrite‐monosubstituent) AFm phase, has been observed to form in sodium‐enriched highly alkaline cementitious systems, for example, of relevance to nuclear waste, and saline industrial brine management. But, minimal information is available of the U‐phase's (e.g., solubility or thermodynamic properties) due to its limited stability and its tendency to transform into ettringite or monosulfoaluminate. Herein, the U‐phase was systematically synthesized at four temperatures (5, 15, 25, and 50°C) and fully characterized in terms of its thermochemical properties. The average composition of the synthesized U‐phase (4CaO·Al 2 O 3 ·1.85SO 3 ·0.85Na 2 O·12H 2 O) deviates slightly from typical disclosures in the literature. The solubility product of the U‐phase formation was measured from conditions of oversaturation. The measured thermodynamic data accurately predicted experimental observations of U‐phase formation in cementitious environments. In general, it was noted that the U‐phase forms and persists (i.e., remains stable) at pH > 13.7 and [Na + ] concentrations superior to 1 mol/L.

Materials Science↗
DOE OSTI2024

Formation kinetics and thermodynamic stability of the Aurivillius compounds in Bi 4 Ti 3 O 12 –BiFeO 3 system

Abstract The Aurivillius compounds in the Bi 2 O 3 –Fe 2 O 3 –TiO 2 system, combining ferroelectric, semiconducting, and ferromagnetic properties, have attracted particular interest. Formation kinetics and thermodynamic stability are the fundamental knowledge needed for modeling and predicting the temporal microstructure and property evolution during materials processing but have not yet been addressed by quantitative experimental measurement. This article focuses on the Bi n +1 Fe n –3 Ti 3 O 3 n +3 Aurivillius compounds on the Bi 4 Ti 3 O 12 –BiFeO 3 tie‐line to elucidate the mechanisms and thermodynamic controls responsible for phase formation of compounds with various perovskite‐like layers. Five high‐purity Aurivillius compounds Bi 4 Ti 3 O 12 , Bi 5 FeTi 3 O 15 , Bi 6 Fe 2 Ti 3 O 18 , Bi 7 Fe 3 Ti 3 O 21 , and Bi 8 Fe 4 Ti 3 O 24 with integer n = 3–7 values were synthesized and their phase transformation properties and enthalpies of formation were studied by X‐ray diffraction in situ, high temperature differential scanning calorimetry, and high temperature oxide melt solution calorimetry. Thermodynamic stability of the compounds decreases with increasing n , and formation kinetics gradually slow down, demonstrating the inherent difficulty to synthesize pure Aurivillius compounds with n larger than 8. This difficulty was confirmed by an impurity phase coexisting with Bi 9 Fe 5 Ti 3 O 27 .

Gong, Weiping↗
DOE OSTI2024

Mass, enthalpy, and chemical‐derived emission flows in mineral processing

Abstract The production of materials from mineral resources is a significant contributor to anthropogenic CO 2 emissions. This contribution is driven primarily by chemical CO 2 emissions from the conversion of mineral resources and emissions tied to energy demands for material processing. In this work, we synthesize the thermodynamically required enthalpy and chemically derived emissions of mineral processing and consumption in the United States. We quantify mass, enthalpy, and emissions flows for minerals described by the US Geological Survey, with 882 mass flows and 155 chemical reactions analyzed. In total, 503 PJ of enthalpy is thermodynamically required for 398 Mt of chemically converted material consumption in the United States, resulting in 129 Mt of chemically derived CO 2 emissions. Additionally, 249 PJ of fuel resources such as coke are stoichiometrically required for the chemical conversion of minerals. These enthalpy requirements and CO 2 emissions are primarily from high‐mass consumption materials such as cement, carbon steel, fertilizer, and aluminum. Cumulatively, the dataset synthesized in this work provides a complete view of the chemical requirements of mineral processing and can aid in guiding decarbonization or sustainable growth in critical minerals sectors, including construction materials and materials for energy storage or generation.

Kane, Seth↗
DOE OSTI2020

On the Cutting of Metals: A Mechanics Viewpoint

The mechanics of large-strain deformation in cutting of metals is discussed, primarily from viewpoint of recent developments in in situ analysis of plastic flow and microstructure characterization. It is shown that a broad range of deformation parameters can be accessed in chip formation—strains of 1–10, strain rates of 10–10 5 /s, and temperatures up to 0.7T m —and controlled. This range is far wider than achievable by any other single-stage, severe plastic deformation (SPD) process. The resulting extreme deformation conditions produce a rich variety of microstructures in the chip. Four principal types of chip formation—continuous, shear-localized, segmented, and mushroom-type—as elucidated first by Nakayama (1974, “The Formation of ‘Saw-Toothed Chip’ in Metal Cutting,” Proceedings of International Conference on Production Engineering, Tokyo, pp. 572–577) are utilized to emphasize the diverse plastic flow phenomena, especially unsteady deformation modes that prevail in cutting. These chip types are intimately connected with the underlying flow, each arising from a distinct mode and triggered by an instability phenomenon. The role of plastic flow instabilities such as shear banding, buckling, and fracture in mediating unsteady flow modes is expounded, along with consequences of the flow modes and chip types for the cutting. Sinuous flow is shown to be the reason why gummy (highly strain-hardening) metals, although relatively soft, are so difficult to cut. Synthesizing the various observations, a hypothesis is put forth that it is the stability of flow modes that determines the mechanics of cutting. Furthermore, this leads to a flow-stability phase diagram that could provide a framework for predicting chip types and process attributes.

42 ENGINEERING↗
DOE OSTI2023

Assessment of Bulk Oxygen Capacity and Transient Redox Behavior of Foamed Lanthanum Strontium Manganese Perovskites

Synthesis of solar thermochemical hydrogen (STCH) production redox materials with engineered structures, for example, replica foams, can enable efficient heat and mass transport and are critical for scaled-up systems. Prior work has motivated the use of lanthanum strontium manganese (LSM)-type perovskites as foamed STCH materials, but the effect of their morphology on bulk and kinetic behavior has not been reported. In this work, replica and direct foamed samples of La 0.65 Sr 0.35 MnO 3-δ (LSM35) were fabricated and compared to synthesized powders and dense monoliths, and similarly synthesized CeO 2-δ (ceria) foams, regarding their specific reaction rates and bulk oxygen capacity/H 2 yields. Changes in oxygen capacity (Δδ) and reaction rates were measured between 1200 °C and 1400 °C by using fixed ratios of steam and hydrogen during both reduction and oxidation steps, allowing for analysis under practical high conversion conditions. Results suggest bulk behavior and reaction rates of the foamed LSM materials are comparable to their powder analogues. Differences in reaction rates were observed only when replica foamed samples were subjected to rapid laser heating (emulating conditions expected in solar furnaces), which is expected but has not been demonstrated at such a small scale. Here, foamed samples were further subjected to 50 redox cycles at 1400 °C to evaluate their stability. Results show no statistically significant decrease in hydrogen production for any of the foamed samples, but the direct foamed samples became brittle with time. Together, these results demonstrate the viability of replica foamed LSM perovskites for integration in scaled-up STCH systems.

08 HYDROGEN↗
DOE OSTI2024

Synthesis and electrical transport properties of superconducting platinum silicide thin films and devices

Here, we evaluate the material characteristics of superconducting platinum silicide (PtSi) thin films as candidate materials for superconducting quantum information devices compatible with silicon technology. These films were synthesized using magnetron sputtering under ultrahigh vacuum conditions, followed by rapid thermal annealing. Polycrystalline PtSi films synthesized by this method have the favorable properties of superconducting critical temperature of 0.95 K and relatively long zero-temperature Ginzburg-Landau coherence length of 76 nm. We further studied coplanar microbridge devices fabricated by electron beam lithography and chlorine-free reactive ion etching, finding that the temperature-dependent critical current density follows the Ginzburg Landau depairing mechanism.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Overcoming immiscibility toward bimetallic catalyst library

Bimetallics are emerging as important materials that often exhibit distinct chemical properties from monometallics. However, there is limited access to homogeneously alloyed bimetallics because of the thermodynamic immiscibility of the constituent elements. Overcoming the inherent immiscibility in bimetallic systems would create a bimetallic library with unique properties. Here, we present a nonequilibrium synthesis strategy to address the immiscibility challenge in bimetallics. As a proof of concept, we synthesize a broad range of homogeneously alloyed Cu-based bimetallic nanoparticles regardless of the thermodynamic immiscibility. The nonequilibrated bimetallic nanoparticles are further investigated as electrocatalysts for carbon monoxide reduction at commercially relevant current densities (>100 mA cm -2 ), in which Cu 0.9 Ni 0.1 shows the highest multicarbon product Faradaic efficiency of ~76% with a current density of ~93 mA cm -2 . The ability to overcome thermodynamic immiscibility in multimetallic synthesis offers freedom to design and synthesize new functional nanomaterials with desired chemical compositions and catalytic properties.

25 ENERGY STORAGE↗
DOE OSTI2021

A universal wet-chemistry synthesis of solid-state halide electrolytes for all-solid-state lithium-metal batteries

Solid-state halide electrolytes have gained revived research interests owing to their high ionic conductivity and high-voltage stability. However, synthesizing halide electrolytes from a liquid phase is extremely challenging because of the vulnerability of metal halides to hydrolysis. In this work, ammonium-assisted wet chemistry is reported to synthesize various solid-state halide electrolytes with an exceptional ionic conductivity (>1 microsiemens per centimeter). Microstrain-induced localized microstructure change is found to be beneficial to lithium ion transport in halide electrolytes. Furthermore, the interfacial incompatibility between halide electrolytes and lithium metal is alleviated by transforming the mixed electronic/ionic conductive interface into a lithium ion–conductive interface. Such all-solid-state lithium-metal batteries (ASSLMBs) demonstrate a high initial coulombic efficiency of 98.1% based on lithium cobalt oxide and a high discharge capacity of 166.9 microampere hours per gram based on single-crystal LiNi 0.6 Mn 0.2 Co 0.2 O 2 . This work provides universal approaches in both material synthesis and interface design for developing halide-based ASSLMBs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Developmental changes in lignin composition are driven by both monolignol supply and laccase specificity

The factors controlling lignin composition remain unclear. Catechyl (C)–lignin is a homopolymer of caffeyl alcohol with unique properties as a biomaterial and precursor of industrial chemicals. The lignin synthesized in the seed coat of Cleome hassleriana switches from guaiacyl (G)– to C-lignin at around 12 to 14 days after pollination (DAP), associated with a rerouting of the monolignol pathway. Lack of synthesis of caffeyl alcohol limits C-lignin formation before around 12 DAP, but coniferyl alcohol is still synthesized and highly accumulated after 14 DAP. We propose a model in which, during C-lignin biosynthesis, caffeyl alcohol noncompetitively inhibits oxidation of coniferyl alcohol by cell wall laccases, a process that might limit movement of coniferyl alcohol to the apoplast. Developmental changes in both substrate availability and laccase specificity together account for the metabolic fates of G- and C-monolignols in the Cleome seed coat.

09 BIOMASS FUELS↗
DOE OSTI2024

Diverse high-pressure chemistry in Y-NH 3 BH 3 and Y–paraffin oil systems

The yttrium-hydrogen system has gained attention because of near-ambient temperature superconductivity reports in yttrium hydrides at high pressures. We conducted a study using synchrotron single-crystal x-ray diffraction (SCXRD) at 87 to 171 GPa, resulting in the discovery of known (two YH3 phases) and five previously unknown yttrium hydrides. These were synthesized in diamond anvil cells by laser heating yttrium with hydrogen-rich precursors—ammonia borane or paraffin oil. The arrangements of yttrium atoms in the crystal structures of new phases were determined on the basis of SCXRD, and the hydrogen content estimations based on empirical relations and ab initio calculations revealed the following compounds: Y 3 H 11 , Y 2 H 9 , Y 4 H 23 , Y 13 H 75 , and Y 4 H 25 . The study also uncovered a carbide (YC 2 ) and two yttrium allotropes. Complex phase diversity, variable hydrogen content in yttrium hydrides, and their metallic nature, as revealed by ab initio calculations, underline the challenges in identifying superconducting phases and understanding electronic transitions in high-pressure synthesized materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗