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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Energy production from waste: Evaluation of anaerobic digestion and bioelectrochemical systems based on energy efficiency and economic factors

Anaerobic digesters (AD) and bioelectrochemical systems (BES) are becoming increasingly popular technologies for the generation of renewable energy from wastes. Synergies between these technologies exist, however, configurations to couple them have been insufficiently investigated. This study compares the theoretical energy efficiencies of converting waste directly into electricity, using AD and BES alone and in various combinations. This study reviews the experimentally demonstrated energy efficiencies reported in the literature with comparisons to the maximum theoretical efficiencies, considering thermodynamic limits. Acetate is used as an ideal substrate for theoretical calculations, whereas complex wastes are used for extended analyses of practical efficiencies. In addition, to evaluate the economic potential of this technology, a brief case study was conducted using the Oak Ridge National Laboratory (ORNL) water resource recovery facility (WRRF). Sensitivity analysis was performed on several parameters in the economic model. The results of this study indicate the combined Anaerobic Digester/Microbial Electrolysis Cell (ADMEC) process may be the best path forward due to the high energy efficiency, combined with potential economic benefits, but is not at commercial readiness. We estimate energy efficiencies of 52.9% and 45.6% for the ADMEC process, using current state-of-the-technology, for converting food waste and sewage sludge to a CH 4 /H 2 mix, respectively. Finally, this study concludes with a discussion of new strategies to improve the energy efficiency of AD and BES processes.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2025

Utilization of the LS-APGD microplasma/orbitrap-FTMS booster system for detection and isotopic analysis of neodymium nanoparticles

Detection and isotopic analysis of particle populations has seen rapid growth across several application areas, including environmental analysis, nuclear forensics, and food safety. The ability to characterize the particles' unique elemental and isotopic fingerprints could provide information related to formation, processing history, and transport. Regarding nuclear forensics, isotopic analysis of particles derived from diverse materials is often used as a tool to trace the origin and processing history. Mass spectrometric-based techniques currently used for particle population analysis often suffer from limited mass resolution, particularly when dealing with real-world samples that are affected by isobaric and polyatomic interferences from the matrix. To address these analytical challenges, we propose a novel method utilizing the liquid sampling-atmospheric pressure glow discharge (LS-APGD) microplasma ionization source coupled to an ultrahigh resolution Orbitrap mass spectrometer, further enhanced with the FTMS X2T Booster data acquisition and processing unit. The FTMS Booster enables acquisition of extended transient times of up to 3 s, significantly improving mass resolution, thereby reducing or even eliminating the need for prior separation of isobaric or polyatomic interferences. Additionally, the detection of low-abundance isotopes was improved by increasing the signal-to-noise (S/N) ratio. As proof of concept, this study demonstrates the feasibility of the LS-APGD/Orbitrap-FTMS X2T Booster platform for direct analysis using a suspension of well-characterized ∼120 nm neodymium particles. The quality of the isotope ratios values obtained from a few hundred particles were in good agreement with those obtained from homogeneous ionic solutions. These results highlight the potential of the LS-APGD/Orbitrap platform for rapid, accurate, and interference-resilient isotope ratio analysis of particle populations without the need for dissolution and subsequent chemical separations, offering significant advantages for nuclear forensics, safeguards, and environmental applications. The effort here also points to further paths forward, hopefully towards single particle (SP) analysis using microplasma ionization and the ultrahigh resolving power of the Orbitrap mass analyzer.

FTMS X2T booster↗
DOE OSTI2025

Challenges in spatial metabolomics and proteomics for functional tissue unit and single-cell resolution

While transcriptomics is the most broadly applied technology for global spatial and single cell measurements in healthy and diseased tissues. Transcripts are often used as a proxy for protein and even metabolite measurements, but it has become commonly accepted that extrapolating this kind of information is a poor proxy and not a substitute for direct measurement. Within the last decade advanced developments of mass spectrometry-based assays have made these direct measurements not only possible, but routine. Where mass spectrometry has become an enabling technology, and various methods can now detect hundreds of metabolites and thousands of proteins from samples. Not only can this be performed within bulk measurements, but much effort has been directed into translating these measurements to single cells and tissues at cellular resolution. The information obtained from mass spectrometry is now able to trace metabolic events and decipher feedback loops across anatomical regions, connecting genetic and metabolic networks that define phenotypes. Herein, we will broadly overview developments in the field over the past decade, leading into several case studies which highlight the direct measurement of metabolites, proteins, and proteoforms from thinly sliced tissues. Much of this work is feasible due to multidisciplinary team science, and we offer brief perspective on paths forward and the challenges that persist with adoption and application of spatial omics.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Advanced nuclear reactor integration opportunities for the pulp and paper industry in the U.S. context: Technical perspectives, gap analysis, and preliminary technoeconomic assessment

Pulp and paper (P&P) manufacturing requires a large amount of low-pressure (LP) steam to digest, wash wood fibers and dry pulp into paper. Most of the LP steam is extracted from backpressure turbines that produce power from high-pressure (HP) steam. This HP steam is generated from burning wood waste material; bark is burned in hog boilers, and lignin is boiled in a black liquor recovery boiler. In a typical integrated P&P mill, 50–100% of the steam is produced from these sources, while additional steam is produced in natural gas (NG), fuel oil, or coal boilers. The other energy-intensive process in the plant is the chemical-recovery section (e.g., lime kiln), which requires high-temperature processing from NG combustion to retrieve and recirculate spent chemicals. This paper assesses the energy and heat demand and material balances of a typical generic kraft pulp mill, along with the nuclear heat, steam, and power integration opportunities to replace conventional combustion systems. The paper also addresses steam and electricity generation through a comprehensive technical and engineering gap analysis of five different nuclear-integration opportunities and their process economics, thus enabling the lignin and bark to be further processed into biobased chemicals or fuels, as well as the potential to reduce overall emissions from kraft pulping. Preliminary findings have shown that the P&P industry could achieve technological benefits by integrating their current manufacturing process with small modular nuclear reactors (SMNRs) on a national level. This research aims to set the path forward for a cleaner and more resilient P&P industry.

Advanced nuclear reactor↗
DOE OSTI2018

Chemical vapor deposition of Mo tubes for fuel cladding applications

In this study, chemical vapor deposition (CVD) techniques have been evaluated for fabrication of free-standing 0.25 mm thick molybdenum tubes with the end goal of nuclear fuel cladding applications. In order to produce tubes with the wall thickness and microstructures desirable for this application, long deposition durations on the order of 50 h with slow deposition rates were employed. A standard CVD method, involving molybdenum pentachloride reduction by hydrogen, as well as a fluidized-bed CVD (FBCVD) method was applied towards these objectives. Characterization of the tubes produced in this manner revealed regions of material with fine grain microstructure and wall thickness suitable for fuel cladding applications, but lacking necessary uniformity across the length of the tubes. Finally, a path forward for the production of freestanding molybdenum tubes that possess the desired properties across their entire length has been identified and can be accomplished by future optimization of the deposition system.

(Fluidized-bed) chemical vapor deposition↗
DOE OSTI2021

Adhesion, structure, and mechanical properties of Cr HiPIMS and cathodic arc deposited coatings on SiC

Chromium deposited by high-power impulse magnetron sputtering (HIPIMS) versus cathodic arc (CA) processes exhibits very different mechanical properties. Combining the two can result in a single-phase with superior performance that can be tailored for use in coating SiC for advanced nuclear fuel cladding. Coating morphology, residual stress, elemental depth profiles, and mechanical testing by scratch, pull-off adhesion, and microcantilevers are shown for HiPIMS, CA, and combined coatings. CA coatings were likely to spall and had lower adhesion strength due to tensile residual stresses but had desirable material properties. Additionally, by depositing an initial layer of Cr by HiPIMS followed by a layer of Cr by CA, a more adherent coating was achieved and some of the stress issues with CA morphology were resolved. Combined coatings withstood at least 80 MPa in pull-off adhesion tests and had maximum failure stress values of 5GPa in microcantilever tests. These results were better than either individual deposition method and point to a hybrid approach being a path forward for a more robust coating.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Halide Vapor Phase Epitaxy of Ge from an Elemental Source

Halide vapor phase epitaxy shows promise for low-cost photovoltaic device manufacturing because of its high growth rates and lower cost elemental precursors but previously has not been used to deposit epitaxial Ge. Here, we demonstrate Ge deposition by generating GeCl 2 in situ from solid Ge and HCl in a N 2 ambient. To achieve Ge growth, we inject AsH 3 and PH 3 as sources of active hydrogen to the growth surface to create a driving force for growth. We do not observe Ge growth unless a supply of hydrogen is added, consistent with thermodynamic calculations. Furthermore, we show the hydrogen source must crack readily on the substrate surface to enable growth; relatively stable sources such as H 2 do not cause growth. Unintentional group V doping is one drawback of using AsH 3 and PH 3 to drive the Ge reaction. We observed As or P concentrations in the Ge films ranging from 4 x 10 17 to 1 x 10 18 atoms/cm 3 , concentrations that can drastically influence device characteristics. However, we note there are numerous other "helper molecule" options that can provide active hydrogen without doping or etching the material. This work provides a path forward for Ge deposition for optoelectronic devices from an elemental source.

14 SOLAR ENERGY↗
DOE OSTI2018

Synthesis and Properties of Single-Crystalline Na 4 Si 24

We present that Na 4 Si 24 is the precursor to Si 24 , a recently discovered allotrope of silicon. With a quasidirect band gap near 1.3 eV, Si 24 has potential to transform silicon-based optoelectronics including solar energy conversion. However, the lack of large, pure crystals has prevented the characterization of intrinsic properties and has delayed deposition-based metastable growth efforts. Here, we report an optimized synthesis methodology for single-crystalline Na 4 Si 24 with crystals approaching the millimeter-size scale with conditions near 9 GPa and 1123 K. Single-crystal diffraction was used to confirm the open-framework structure, and Na atoms remain highly mobile within the framework channels, as determined by electrical conductivity and electron energy loss spectroscopy measurements. In conclusion, an epitaxial relationship between Na 4 Si 24 and diamond cubic silicon (DC-Si), observed through high-resolution transmission electron microscopy, is proposed to facilitate the growth of high-quality Na 4 Si 24 crystals from DC-Si wafers mixed with metallic Na and could provide a viable path forward for scaling efforts of Na 4 Si 24 and Si 24 .

36 MATERIALS SCIENCE↗
DOE OSTI2017

Accelerating Innovation that Enhances Resource Recovery in the Wastewater Sector: Advancing a National Testbed Network

This article examines significant challenges and opportunities to spur innovation and accelerate adoption of reliable technologies that enhance integrated resource recovery in the wastewater sector through the creation of a national testbed network. The network is a virtual entity that connects appropriate physical testing facilities, and other components needed for a testbed network, with researchers, investors, technology providers, utilities, regulators, and other stakeholders to accelerate the adoption of innovative technologies and processes that are needed for the water resource recovery facility of the future. Here we summarize and extract key issues and developments, to provide a strategy for the wastewater sector to accelerate a path forward that leads to new sustainable water infrastructures.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Stochastically Realized Observables for Excitonic Molecular Aggregates

In this work, we show that a stochastic approach enables calculations of the optical properties of large 2-dimensional and nanotubular excitonic molecular aggregates. Previous studies of such systems relied on numerically diagonalizing the dense and disordered Frenkel Hamiltonian, which scales approximately as $\mathcal{O}$($N$ 3 ) for $N$ dye molecules. Our approach scales much more efficiently as $\mathcal{O}$($N$ log($N$)), enabling quick study of systems with a million of coupled molecules on the micrometer size scale. We calculate several important experimental observables, including the optical absorption spectrum and density of states, and develop a stochastic formalism for the participation ratio. Quantitative agreement with traditional matrix diagonalization methods is demonstrated for both small- and intermediate-size systems. The stochastic methodology enables the study of the effects of spatial-correlation in site energies on the optical signatures of large 2D aggregates. Our results demonstrate that stochastic methods present a path forward for screening structural parameters and validating experiments and theoretical predictions in large excitonic aggregates.

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

Theoretical Pathway toward Improved Reverse Osmosis Membrane Selectivity for Neutral Solutes: Inspiration from Gas Separations

We report highly rigid membrane materials with tailored structures have exhibited permeabilities and selectivities that exceed the polymer upper bound in gaseous and organic solvent separations for challenging mixtures containing species that are similar in size and shape. One potential question is whether such membrane materials can maintain meaningful guest diffusivities in situations where the microporous spaces are essentially full of guest molecules. Here, we use a simplified transition state theory approach to estimate the diffusivity of water and small organics within a microporous membrane. The transition state theory model is parameterized using experimental values from zeolites and carbon molecular sieve materials found in the literature. We demonstrate the differences in transport and Maxwell–Stefan diffusivities based on guest species loading with different isotherm behaviors. These calculations theorize a path forward for highly selective reverse osmosis membranes for aqueous phase separations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Laser Direct Write Synthesis of Lead Halide Perovskites

Lead halide perovskites are increasingly considered for applications beyond photovoltaics, for example, light emission and detection, where an ability to pattern and prototype microscale geometries can facilitate the incorporation of this class of materials into devices. In this study, we demonstrate laser direct write of lead halide perovskites, a remarkably simple procedure that takes advantage of the inverse dependence between perovskite solubility and temperature by using a laser to induce localized heating of an absorbing substrate. We also demonstrate arbitrary pattern formation of crystalline CH 3 NH 3 PbBr 3 on a range of substrates and fabricate and characterize a microscale photodetector using this approach. This direct write methodology provides a path forward for the prototyping and production of perovskite-based devices.

36 MATERIALS SCIENCE↗
DOE OSTI2018

High-Temperature Refractory Metasurfaces for Solar Thermophotovoltaic Energy Harvesting

Solar energy promises a viable solution to meet the ever-increasing power demand by providing a clean, renewable energy alternative to fossil fuels. For solar thermophotovoltaics (STPV), high-temperature absorbers and emitters with strong spectral selectivity are imperative to efficiently couple solar radiation into photovoltaic cells. We demonstrate refractory metasurfaces for STPV with tailored absorptance and emittance characterized by in situ high-temperature measurements, featuring thermal stability up to at least 1200 °C. Our tungsten-based metasurface absorbers have close-to-unity absorption from visible to near-infrared and strongly suppressed emission at longer wavelengths, while our metasurface emitters provide wavelength-selective emission spectrally matched to the band-edge of InGaAsSb photovoltaic cells. The projected overall STPV efficiency is as high as 18% when a fully integrated absorber/emitter metasurface structure is employed, which is comparable to the efficiencies of the best currently available commercial single-junction PV cells and can be further improved to potentially exceed those in mainstream photovoltaic technologies. Finally, our work opens a path forward for high-performance STPV systems based on refractory metasurface structures.

14 SOLAR ENERGY↗
DOE OSTI2023

Interplay Between Strain and Thickness on the Effective Carrier Lifetime of Buffer-Mediated Epitaxial Germanium Probed by the Photoconductance Decay Technique

We report contactless effective minority carrier lifetime of epitaxially grown unstrained and in-plane <110> biaxially tensile-strained (001) germanium (..epsilon..-Ge) epilayers measured using microwave-reflectance photoconductance decay measurements. Strained Ge epilayers were grown using InxGa1-xAs linearly graded buffers on (001) GaAs substrates. Using homogeneous excitation of unstrained Ge epilayers, thickness-dependent separation of minority carrier lifetime components under low injection conditions yielded a bulk lifetime of 114 +/- 2 ns and low surface recombination velocity of 21.3 +/- 0.04 cm/s. More notably, an effective minority carrier lifetime of >100 ns obtained from sub-50 nm 1.6% tensile-strained Ge epilayers showed no degradation relative to the unstrained counterpart. Detailed material characterization using X-ray diffractometry revealed successful strain transfer of 0.61 and 0.89% to the Ge epilayers via InxGa1-xAs metamorphic buffers and confirms pseudomorphic growth. Lattice coherence observed at the e-Ge epilayer and InxGa1-xAs buffer heterointerfaces via transmission electron microscopy substantiates the prime material quality achieved. The relatively high carrier lifetimes achieved are an indicator of excellent material quality and provide a path forward to realize low-threshold Ge laser sources.

bulk lifetime↗
DOE OSTI2020

Coupling High-Throughput Experiments and Regression Algorithms to Optimize PGM-Free ORR Electrocatalyst Synthesis

Over the past decades, significant improvement has been achieved in the performance of platinum group metal-free (PGM-free) materials as an alternative to Pt-based electrocatalysts for oxygen reduction reaction (ORR). However, further progress in ORR activity requires evaluation of precursors and synthesis approaches. In response to this challenge, we generated a first of its kind experimental data set of 36 samples using high-throughput synthesis and activity measurements. Several control parameters (e.g., Fe precursor identity, the precursor content, and pyrolysis temperature) were varied. We then developed several state-of-the-art machine learning (ML) based regression models to predict ORR activity, dependent on selected synthesis variables. Through an iterative algorithm, higher prediction accuracy (smaller root-mean-square error) was achieved. We identified that gradient boosting regression (GBR) and support vector regression (SVR), among several methods, work best for this data set. Aided by our ML-based surrogate models, we decided to alter catalyst synthesis conditions, which resulted in a 36% increase in measured ORR activity in comparison to the maximum ORR mass activity value of 21.9 A/g catalyst in the original data set. Overall, this combined experiment and machine learning approach represents a promising path forward toward developing highly efficient next-generation ORR electrocatalysts and, more generally, functional materials.

25 ENERGY STORAGE↗
DOE OSTI2024

Enhanced Anhydrous Proton Conductivity in Azole Phosphonic Acid Mixtures

Azole molecules are investigated as potential candidates for proton conductors under anhydrous conditions. Since 1,2,3-triazole has the lowest melting point (T m = 17 °C), it was blended with three phosphonic acid-containing molecules (small molecules with one and two phosphonic acids per molecule and a phosphonic acid polymer) to provide a source of excess protons to enhance the proton conductivity of the blends. Here we study a wide range of compositions in each system to find that these three mixtures show a maximum proton conductivity at moderate doping compositions, approximately 5–10 azole molecules per phosphonic acid group. Using NMR diffusometry, we show that the protons bonded to nitrogen move faster than the protons bonded to carbons of 1,2,3-triazole, suggesting proton hopping between azole proton carriers. Given the high proton conductivity at 90 °C of the best mixtures, in the range of 20–60 mS/cm, this work provides a path forward for future work in anhydrous proton-conducting polymer membranes. Additionally, Raman spectroscopy was used to accurately determine the molar percentage of protonated 1,2,3-triazole. Combining that with the proton diffusion results, we find that the phosphonic acid polymer shows the most proton hopping at low acid content.

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

Pressure-Dependent Phase Behavior of Chemically Synthesized Ytterbium Hydride Nanoparticles and Confinement in CMK-3

In this work, we developed a chemical synthesis protocol to prepare both spherical and rod shaped YbH x nanoparticles and infiltrate a mesoporous CMK-3 structure with YbH x nanoparticles. The phase evolution of the YbH x nanoparticles was monitored as a function of the pressure in a diamond anvil cell. The cell volume of the Yb atom showed an unexpected positive deviation from the calculated equation of state (EoS) for the α-phase (space group Pnma) of YbH x . Additionally, the β-phase (space group Fm3̅m) YbH x nanoparticles appeared to become amorphous at approximately 27 GPa, although the same behavior was not observed in the Pnma (α-phase). The Pmna phase remained stable (measured up to 59.3 GPa) and showed a significantly higher than expected volume per Yb atom relative to the calculated EoS. This deviation could be attributed to the nanoscale effect on the thermodynamics of ytterbium hydride formation, which could provide a path forward to accessing higher order ytterbium hydrides (YbH x , x > 3) at pressures much lower than in the bulk metal.

diamond anvil cell↗