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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Carbon-13 Radiofrequency Amplification by Stimulated Emission of Radiation of the Hyperpolarized Ketone and Hemiketal Forms of Allyl [1- 13 C]Pyruvate

13 C hyperpolarized pyruvate is an emerging MRI contrast agent for sensing molecular events in cancer and other diseases with aberrant metabolic pathways. This metabolic contrast agent can be produced via several hyperpolarization techniques. Despite remarkable success in research settings, widespread clinical adoption faces substantial roadblocks because the current sensing technology utilized to sense this contrast agent requires the excitation of 13 C nuclear spins that also need to be synchronized with MRI field gradient pulses. Here, we demonstrate sensing of hyperpolarized allyl [1- 13 C]pyruvate via the stimulated emission of radiation that mitigates the requirements currently blocking broader adoption. Specifically, 13 C Radiofrequency Amplification by Stimulated Emission of Radiation ( 13 C RASER) was obtained after pairwise addition of parahydrogen to a pyruvate precursor, detected in a commercial inductive detector with a quality factor (Q) of 32 for sample concentrations as low as 0.125 M with 13 C polarization of 4%. Moreover, parahydrogen-induced polarization allowed for the preparation of a mixture of ketone and hemiketal forms of hyperpolarized allyl [1- 13 C]pyruvate, which are separated by 10 ppm in 13 C NMR spectra. This is a good model system to study the simultaneous 13 C RASER signals of multiple 13 C species. This system models the metabolic production of hyperpolarized [1- 13 C]lactate from hyperpolarized [1- 13 C]pyruvate, which has a similar chemical shift difference. Our results show that 13 C RASER signals can be obtained from both species simultaneously when the emission threshold is exceeded for both species. On the other hand, when the emission threshold is exceeded only for one of the hyperpolarized species, 13 C stimulated emission is confined to this species only, therefore enabling the background-free detection of individual hyperpolarized 13 C signals. Furthermore, the reported results pave the way to novel sensing approaches of 13 C hyperpolarized pyruvate, potentially unlocking hyperpolarized 13 C MRI on virtually any MRI system–an attractive vision for the future molecular imaging and diagnostics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Understanding the Impact of Lignocellulosic Biomass Variability on the Size Reduction Process: A Review

The importance of size reduction to the commercial deployment of biomass utilization technologies cannot be overemphasized. Size reduction is necessary to create good flowing, easily digestible lignocellulosic biomass. However, inefficiencies and inconsistencies have not been well addressed for the process of size reduction. This has motivated quite a few research studies, some of which have reported the influence of process variables and pretreatment on the size reduction performance as well as the development of novel size reduction equipment and empirical mathematical models. In this Perspective, we present a systematic and critical evaluation of the state of lignocellulosic biomass size reduction research to provide insights for engineers and scientists for future development and investigation. We first briefly discuss the structural biology and failure mode of lignocellulosic biomass. Then, we present a comprehensive, data-driven picture of the interactions among lignocellulosic biomass attributes, size reduction process variables, pretreatment processes, and size reduction process performance (as defined by product characteristics and size reduction energy consumption). The sizing equipment tool wear issues are also summarized. Finally, we highlight some existing gaps and future research opportunities for lignocellulosic biomass size reduction to inform the development of newer technologies that could effectively produce high-value lignocellulosic biomass particles.

09 BIOMASS FUELS↗
DOE OSTI2022

Electronic Spin Qubit Candidates Arrayed within Layered Two-Dimensional Polymers

Molecular electronic spin qubits are promising candidates for quantum information science applications because they can be reliably produced and engineered via chemical design. Embedding electronic spin qubits within two-dimensional polymers (2DPs) offers the possibility to systematically engineer inter-qubit interactions while maintaining long coherence times, both of which are prerequisites to their technological utility. Here, we introduce electronic spin qubits into a diamagnetic 2DP by n-doping naphthalene diimide subunits with varying amounts of CoCp 2 and analyze their spin densities by quantitative electronic paramagnetic resonance spectroscopy. Low spin densities (e.g., 6.0 × 10 12 spins mm –3 ) enable lengthy spin–lattice (T 1 ) and spin–spin relaxation (T 2 ) times across a range of temperatures, ranging from T 1 values of 164 ms at 10 K to 30.2 μs at 296 K and T 2 values of 2.36 μs at 10 K to 0.49 μs at 296 K for the lowest spin density sample examined. Higher spin densities and temperatures were both found to diminish T 1 times, which we attribute to detrimental cross-relaxation from spin–spin dipolar interactions and spin–phonon coupling, respectively. Higher spin densities decreased T 2 times and modulated the T 2 temperature dependence. Here, we attribute these differences to the competition between hyperfine and dipolar interactions for electron spin decoherence, with the dominant interaction transitioning from the former to the latter as spin density and temperature increase. Overall, this investigation demonstrates that dispersing electronic spin qubits within layered 2DPs enables chemical control of their inter-qubit interactions and spin decoherence times.

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

Thermal Regulation of CO 2 Activation Pathways via Interfacial Water Restructuring Enables Ampere-Level, Near-Unity CO Electrosynthesis

Electrochemical reduction of CO 2 to CO is a key step in carbon utilization technologies, yet maintaining high CO selectivity under elevated temperatures relevant to industrial membrane-electrode-assembly (MEA) electrolyzers remains challenging due to the competing hydrogen evolution reaction (HER). Additionally, the temperature dependence of CO selectivity on Cu-based catalysts has remained largely unexplored. Here, we demonstrate that incorporating atomic In or Sn into Cu fundamentally reshapes the selectivity of Cu catalysts at elevated temperatures. Dilute alloy catalysts, In 1 Cu and Sn 1 Cu, achieve >95% FE of CO over a broad current-density window (0.1−1.1 A cm −2 ) at 60 °C in MEA electrolyzers, far exceeding their performance at ambient temperature. In situ attenuated total reflection surface-enhanced infrared absorption spectroscopy suggests that elevating temperature depletes interfacial water activity, which favors a shift in CO 2 activation from a proton-coupled *COOH pathway toward an electron-driven *COO − -associated pathway, while also suppressing HER and CO hydrogenation. In contrast, benchmark CO-selective catalysts such as Ag exhibit minimal temperature-induced changes in CO production at 20−60 °C. These findings identify temperature as an unavoidable yet previously underutilized operating parameter in MEA electrolyzers for high-rate, selective CO production on Cubased catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Revealing multiple classes of stable quantum emitters in hexagonal boron nitride with correlated optical and electron microscopy

Defects in hexagonal boron nitride (hBN) exhibit high-brightness, room-temperature quantum emission, but their large spectral variability and unknown local structure challenge their technological utility. Here, we directly correlate hBN quantum emission with local strain using a combination of photoluminescence (PL), cathodoluminescence (CL) and nanobeam electron diffraction. Across 40 emitters, we observe zero phonon lines (ZPLs) in PL and CL ranging from 540 to 720 nm. CL mapping reveals that multiple defects and distinct defect species located within an optically diffraction-limited region can each contribute to the observed PL spectra. Local strain maps indicate that strain is not required to activate the emitters and is not solely responsible for the observed ZPL spectral range. Instead, at least four distinct defect classes are responsible for the observed emission range, and all four classes are stable upon both optical and electron illumination. Our findings offer a foundation for future atomic-scale optical characterization of colour centres.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Space-time crystals from particle-like topological solitons

Time crystals are unexpected states of matter that spontaneously break time-translation symmetry either in a discrete or continuous manner. However, spatially mesoscale space-time crystals that break both space and time symmetries have not been reported. Here we report a continuous space-time crystal in a nematic liquid crystal driven by ambient-power, constant-intensity unstructured light. Our numerically constructed four-dimensional configurations exhibit good agreement with these experimental findings. Although meeting the established criteria to identify time-crystalline order, both experiments and computer simulations reveal a space-time crystallization phase formed by particle-like topological solitons. The robustness against temporal perturbations and spatiotemporal dislocations shows the stability and rigidity of the studied space-time crystals, which relates to their locally topological nature and many-body interactions between emergent spontaneously twisted, particle-like solitonic building blocks. Their potential technological utility includes optical devices, photonic space-time crystal generators, telecommunications and anti-counterfeiting designs, among others.

Liquid crystals↗
DOE OSTI2024

Photosynthetically-powered phototactic active nematic liquid crystal fluids and gels

Abstract One of the most ancient forms of life dating to ~3.5 billion years ago, cyanobacteria are highly abundant organisms that convert light into energy and motion, often within conjoined filaments and larger colonies that attract a great deal of interest but their active nematic behavior remained unexplored. Here we demonstrate how light causes a spontaneous self-assembly of two- and three-dimensional active nematic states of cyanobacterial filaments, with a plethora of topological defects. We quantify light-controlled evolutions of orientational and velocity order parameters during the transition between disordered and orientationally ordered states of photosynthetic active matter, as well as the subsequent active nematic’s fluid-gel transformation. Patterned illumination and foreign inclusions with different shapes interact with cyanobacterial active nematics in nontrivial ways while inducing interfacial boundary conditions and fractional boojum defects. Our phototactic model system promises opportunities to systematically explore fundamental properties and technological utility of the liquid crystalline active matter.

Repula, Andrii↗
DOE OSTI2025

Morphological Characterization of Uranyl Fluoride Particles via Atomic Force Microscopy

Uranium hexafluoride (UF 6 ) undergoes a rapid hydrolysis reaction when exposed to atmospheric water. In addition to producing hazardous HF gas, the hydrolysis reaction produces uranyl fluoride (UO 2 F 2 ), a radioactive solid phase particulate material. Because of the technological utility of UF 6 in the nuclear fuel cycle, understanding the transport properties of UO 2 F 2 aerosol produced via UF 6 hydrolysis is important for accident scenarios. Moreover, the fundamental chemical and physical properties of the UF 6 hydrolysis reaction are not completely understood. Recently, several experiments on the aerosol phase properties of UO 2 F 2 produced in this way have shown that under most relevant conditions, the particle size distribution (PSD) of UO 2 F 2 can be extremely small, approximately 3 to 5 nm, which is well below the threshold that can be routinely observed via scanning electron microscopy (SEM). Although readily observable in the aerosol phase, observation of nanometer-sized particles in the condensed phase (i.e. deposited on surfaces) remains a challenge. Here, in this study, we have used atomic force microscopy (AFM) to study the PSD and morphological characteristics of UO 2 F 2 deposited at low and high concentrations under different humidity conditions, a primary variable in the hydrolysis reaction. Here, we find strong agreement between PSD measured in the aerosol phase via scanning mobility particle sizing and PSD measured via AFM, with particle sizes peaked below 4 nm for low-humidity conditions. At higher humidity, the distribution is centered around 5 to 10 nm but extends up to 20 nm. These results are in stark contrast to previous measurements using SEM that show PSD on the order of 300- to 1000-nm particle sizes; moreover, these are the first direct measurements of individual particles of UO 2 F 2 having been produced via UF 6 hydrolysis deposited on surfaces. These measurements, therefore, open a new avenue for collecting and detecting UO 2 F 2 in the condensed phase and further refine the PSD, which is critical for environmental transport determinations.

Uranium hexafluoride↗
DOE OSTI2022

Field-Deployable Quantum Memory for Quantum Networking

High-performance quantum memories are an essential component for regulating temporal events in quantum networks. As a component in quantum-repeaters, they have the potential to support the distribution of entanglement beyond the physical limitations of fiber loss. This will enable key applications such as quantum key distribution, network-enhanced quantum sensing, and distributed quantum computing. Here, we present a quantum memory engineered to meet real-world deployment and scaling challenges. The memory technology utilizes a warm rubidium vapor as the storage medium, and operates at room temperature, without the need for vacuum- and/or cryogenic- support. Here, we demonstrate performance specifications of high-fidelity retrieval (95%) and low operation error (10 –2 ) at a storage time of 160 µs for single-photon level quantum memory operations. We further show a substantially improved storage time (with classical-level light) of up to 1ms by suppressing atomic diffusions. The device is housed in an enclosure with a standard 2U rackmount form factor, and can robustly operate on a day scale in a noisy environment. This result marks an important step toward implementing quantum networks in the field.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Engineering magnetic topological insulators in Eu 5 M 2 X 6 Zintl compounds

Magnetic topological insulators provide a prominent material platform for quantum anomalous Hall physics and axion electrodynamics. However, the lack of material realizations with cleanly gapped surfaces hinders technological utilization of these exotic quantum phenomena. Here, using the Zintl concept and the properties of nonsymmorphic space groups, we computationally engineer magnetic topological insulators. Specifically, we explore Eu 5 M 2 X 6 (M=metal, X=pnictide) Zintl compounds and find that Eu 5 Ga 2 Sb 6 , Eu 5 Tl 2 Sb 6 , and Eu 5 In 2 Bi 6 form stable structures with nontrivial Z 2 indices. We also show that epitaxial and uniaxial strain can be used to control the Z 2 index and the bulk energy gap. Lastly, we discuss experimental progress towards the synthesis of the proposed candidates and provide insights that can be used in the search for robust magnetic topological insulators in Zintl compounds.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Hopf Solitons in Helical and Conical Backgrounds of Chiral Magnetic Solids

Three-dimensional topological solitons attract a great deal of interest in fields ranging from particle physics to cosmology, but remain experimentally elusive in solid-state magnets. Here we numerically predict magnetic heliknotons, an embodiment of such nonzero-Hopf-index solitons localized in all spatial dimensions while embedded in a helical or conical background of chiral magnets. In this work we describe conditions under which heliknotons emerge as metastable or ground-state localized nonsingular structures with fascinating knots of magnetization field in widely studied materials. We demonstrate magnetic control of three-dimensional spatial positions of such solitons, as well as show how they interact to form moleculelike clusters and possibly even crystalline phases comprising three-dimensional lattices of such solitons with both orientational and positional order. Finally, we discuss both fundamental importance and potential technological utility of magnetic heliknotons.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

High-Impedance Non-Linear Fault Detection via Eigenvalue Analysis with low PMU Sampling Rates

This work presents a hybrid data-driven and physics-based framework for high-impedance fault detection in power systems. An innovative method based on eigenvalue analysis is expanded and validated. Phasor Measurement Unit data is used to estimate eigenvalues corresponding to the powerlines being monitored. The projection and drift of these eigenvalues is then tracked and evaluated. Faults are detected as they drive eigenvalues outside of their normal zones. Eigenvectors are leveraged to support and validate the decisions made by the main algorithm. This technique holds several advantages over contemporary techniques in that it utilizes technology that is already deployed in the field, it offers a significant degree of generality, and so far it has displayed a very high-level of sensitivity without sacrificing accuracy. Validation takes place in the form of simulations in the IEEE 13 Node System considering a popular high-impedance non-linear fault model. Test results are encouraging indicating potential for real-life applications.

Paramo, Gian↗
DOE OSTI2020

Accelerometer Drift Study

Accelerometers are energy transducers that convert mechanical energy into an electrical signal. That electrical signal is proportional to the amount of mechanical stress the accelerometer was subjected to. Knowing this proportionality allows the electrical signal to be interpreted as an acceleration. There are three types of sensing technologies utilized in capacitors: piezoelectric, piezoresistive and capacitive. In this study, all of the accelerometers utilized are of the piezoelectric type and purchased from one particular vendor, MEGGITT. The piezoelectric effect is the phenomena by which a material generates an electrical charge when subjected to a mechanical stress. A piezoelectric accelerometer will not generate an electrical charge when placed in a static acceleration field because no stress will be placed on the piezoelectric element. However if the acceleration field is dynamic, the piezoelectric element will generate an electrical charge. So the types of accelerations these accelerometers are measuring are dynamic in nature, such as vibrations. Knowledge of dynamic acceleration is useful in characterizing the structural response of some object. The sensitivity of an accelerometer is the ratio of its electrical output to mechanical input. The more sensitive an accelerometer is, the greater the value of the electrical output to a given mechanical input. An accelerometer’s sensitivity is known to drift over time. The objective of this study is to quantify this drift. Questions to answer are: Does the accelerometer become more or less sensitive over time and by how much. This is important to understand because this will establish a time frame of when readings from the accelerometer can be utilized. The larger this time frame is the better because that would preclude the need to purchase accelerometers frequently, which saves on costs. This would further bolster the relationship between MEGGITT and LANL if it is found that MEGGITT produces accelerometers that can be used for a relatively long period of time. This would create less uncertainty in picking a vendor for accelerometers.

42 ENGINEERING↗
DOE OSTI2020

Resource Assessment for Hydrogen Production

This analysis was conducted in support of the U.S. Department of Energy's H2@Scale initiative, and this report examines the resources required to meet demand for an additional 10 million metric tonnes (MMT) of hydrogen in 2040. The technical potential of hydrogen production from fossil, nuclear, and renewable energy resources is presented. Updated maps describe the geographical distribution of hydrogen production potential from renewable energy resources. The results conclude that the technical resource availability of domestic energy resources is sufficient to meet an additional 10 MMT of hydrogen demand in 2040, without placing significant pressure on existing resources. While this level of hydrogen demand could result in a significant increase in renewable energy consumption, in particular, the technical potential of each resource is estimated to be sufficient to meet the demand. Future research, to enable the large-scale integration of hydrogen in the U.S. energy and other sectors, will include analyzing the geographic distribution of resources in relation to hydrogen demand for a variety of applications. Additional techno-economic analysis is also needed to understand the economic potential of hydrogen in other industries, beyond transportation; such analysis is currently being undertaken by a multi-lab project initiated by DOE in 2016. Finally, information from techno-economic analyses should be used to continually update and inform R&D targets for energy production, hydrogen production, and hydrogen utilization technologies.

08 HYDROGEN↗
DOE OSTI2022

Process and Applications Development for Recycled Mixed-Stream Composites

The goal of this IACMI Phase II Technical Collaboration Project was to establish the viability of producing affordable, recycled composite parts, which were produced from fibers with the properties in the range of those reclaimed through the controlled pyrolysis technology demonstrated in Phase I [1]. For the purpose of this report, we use the terms “recovered carbon fiber” (rCF) and “recovered glass fiber” (rGF) as the material reclaimed from controlled pyrolysis. This fiber recycling technology utilizes the inherent energy in composites for fuel and preserves the structural value of glass fiber (GF) and carbon fiber (CF) for reuse. It can also be used for recycling other waste streams at the same facility, thus spreading capital risk and recovery across multiple industries and achieving economy of scale. A second goal to be addressed was the viability of using recycled fibers as reinforcing materials in additive manufacturing applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Process and Applications Development for Recycled Mixed-Stream Composites

The goal of this IACMI Phase II Technical Collaboration Project was to establish the viability of producing affordable, recycled composite parts, which were produced from fibers with the properties in the range of those reclaimed through the controlled pyrolysis technology demonstrated in Phase I. For the purpose of this report, we use the terms “recovered carbon fiber” (rCF) and “recovered glass fiber” (rGF) as the material reclaimed from controlled pyrolysis. This fiber recycling technology utilizes the inherent energy in composites for fuel and preserves the structural value of glass fiber (GF) and carbon fiber (CF) for reuse. It can also be used for recycling other waste streams at the same facility, thus spreading capital risk and recovery across multiple industries and achieving economy of scale. A second goal to be addressed was the viability of using recycled fibers as reinforcing materials in additive manufacturing applications.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

High Energy Systems for Transforming CO 2 to Valuable Products (Final Report)

The objective of this project is to develop the Direct E-Beam Synthesis (DEBS) process that uses high-energy electron beams (E-Beam) to break chemical bonds. This allows the production of valuable chemicals, such as acetic acid, methanol, and carbon monoxide, at relatively low severity (pressure near one atmosphere and temperatures <150°C) from near-pure CO 2 captured from a pulverized coal-fired power plant and methane, imported as natural gas. Creating such valuable products will offset the cost of carbon capture and storage. Through this project, we have designed, constructed, and operated an E-Beam reactor to examine the feasibility of performing dry reforming reaction without a catalyst using only DEBS. We have verified the production of syngas with 1:1 H2:CO ratio and calculated that the energy cost for conversion is about 5.2 eV/molecule of product for dry reforming reaction which is similar to the energy cost for conversion using conventional thermochemical conversion but under significantly milder conditions (room temperature and atmospheric pressure). We have performed a technoeconomic analysis (TEA) to estimate the total capital requirement and the cost of production for a 99.4 MMSCFD syngas production plant via non-catalytic Direct E-Beam Synthesis (DEBS) technology utilizing a high-energy electron beam (E-Beam) accelerator. No assumption is made for syngas utilization downstream, and the incoming reactants are pure CO 2 from carbon capture (assumed to be at zero cost) and natural gas. The Total As-Spent Cost (TASC) was calculated to be $\$242.5$ million, resulting in a levelized cost of syngas (LCOS) of $\$175.84$/tonne (metric) at a natural gas price of $\$6.24$/MMBTU1. The cost of syngas is primarily determined by the price of natural gas. If the cost of the CO 2 feedstock is assumed to be non-zero, then the price of the CO 2 feed also heavily influences the levelized cost of syngas. The potential impact on the cost of electricity from syngas revenue is significant. Following DOE NETL’s guidance, a lifecycle analysis (LCA) was conducted to compare the cradle-to-gate life cycle emissions of GTI Energy’s novel Direct E-Beam Synthesis (DEBS) process that produces syngas via the reaction of methane and carbon dioxide to the emissions of a state-of-the-art Steam Methane Reforming (SMR) process that also produces syngas via the reaction of methane and steam. The DEBS process results in less GHG emissions than SMR (with CO product as the basis of comparison). openLCA was used for the LCA and the results show that the total global warming potential (GWP) of DEBS is 0.981 kg CO 2 e per kg CO product, while the SMR process has a global warming potential of 2.573 kg CO 2 e per kg CO product. The ratio of the GWP of the proposed product system to the comparison product system is 0.381. This percent change is 61.9% lower GWP than SMR.

20 FOSSIL-FUELED POWER PLANTS↗