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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 1,315 records · Page 73
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Enhanced medium chain length-polyhydroxyalkanoate production by co-fermentation of lignin and holocellulose hydrolysates

Biological lignin conversion to medium chain length-polyhydroxyalkanoates (mcl-PHA) has recently emerged as an attractive alternative to petroleum-based plastics due to the renewable nature of lignin and the value-added applications of mcl-PHA. Previous reports suggested that addition of limited glucose can improve mcl-PHA accumulation in Pseudomonas putida KT2440 grown in lignin substrates. Herein, we propose a biorefinery process to systematically release lignin and sugars from lignocellulosic biomass and evaluate the potential of co-utilization of all biomass components for conversion to mcl-PHA. Our results indicate that a sequential treatment composed of acid pretreatment, enzymatic hydrolysis and alkaline treatment produces a suitable lignin stream for mcl-PHA production in engineered P. putida. In addition, the PHA titer could be increased by 71% when the lignin stream (AH) was combined with the enzymatic hydrolysate (EH) at a ratio of 75 : 25. Higher ratios of EH : AH negatively affect mcl-PHA accumulation as well as mixtures with sugars from the acid hydrolysate. The optimization of the fermentation conditions, including the inoculum (OD 600 ) and substrate (soluble solid content (SSC)), was carried out by a central composite design. The optimal conditions were achieved at OD 600 = 2.17 and SSC = 68.28 g L –1 . Under these conditions, the titer increased 4.3 fold, achieving a mcl-PHA production of 1.38 g L –1 . Lignin characterization before and after fermentation by nuclear magnetic resonance and gas chromatography showed that p-coumarates were mainly consumed during the fermentation for mcl-PHA production. Overall, this biorefinery strategy allowed us to increase mcl-PHA production by utilizing the different lignocellulosic fractions. Unlike previous studies, no model substrates were utilized at any stage of the fermentation process, representing a step forward towards process feasibility.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Multi-scale computational screening and mechanistic insights of cyclic amines as solvents for improved lignocellulosic biomass processing

A computational screening workflow for the efficient deconstruction of cellulose, lignin and hemicellulose fractions of lignocellulosic biomass using cyclic amines as solvents. Lignocellulosic biomass is a promising feedstock for production of affordable fuels and chemicals from renewable resources. Effective solubilization and subsequent deconstruction of its cellulose, hemicellulose, and lignin fractions is essential for the viability of future biorefineries. This study used quantum chemistry-based equilibrium thermodynamics methods to evaluate the potential of 650 cyclic amines to solubilize cellulose, hemicellulose, and lignin. The activity coefficients of solvent - biopolymer interactions were predicted using the COSMO-RS (COnductor-like Screening MOdel for Real Solvents) method and used to identify cyclic amines that can efficiently dissolve and extract selective fractions of biopolymers during biomass pretreatment. Among the 650 cyclic amines, 1-piperazineethanmaine was predicted to be an effective solvent for extracting all three polymers and was experimentally shown to achieve the highest lignin removal (97.1%). Non-covalent interaction, reduced density gradient and quantum chemical calculations were performed to elucidate the dissolution mechanism of lignin, cellulose and hemicellulose and gain further molecular level insights into the interactions between the cyclic amines and biomass polymers that promote efficient solubilization and extraction. These analyses indicated that 1-piperazineethanmaine and 1-methylimidazole make noncovalent van der Waals, electrostatic interactions and hydrogen bonding with lignin, leading to enhanced lignin removal, while the strong intramolecular hydrogen bonding interactions in cellulose and hemicellulose result in weaker solvent-biopolymer interactions. Overall, the computational approach provided an efficient method for identifying cyclic amines tailored for optimal biomass pretreatment and resulted in the identification of a potential new class of solvents for effective biomass pretreatment.

Kumar, Nikhil↗
DOE OSTI2026

Quantification of trace iodine using laser-induced breakdown spectroscopy for real-time monitoring of nuclear off-gas streams

This study evaluated the potential of laser-induced breakdown spectroscopy (LIBS) for real-time monitoring of trace gas-phase iodine, which is an element of high significance in nuclear applications due to its long radioactive half-life (as iodine-129), volatility, and biological impact. In anticipation of iodine evolving into off-gas systems in molten salt reactor and nuclear fuel recycling applications, this research aimed to assess LIBS performance in flowing argon and helium matrices; optimize measurement parameters using a multichannel spectrometer; and perform calibrations to assess predictive capabilities and limits of detection (LODs). Experimental results successfully measured gas-phase iodine in flowing argon and helium; however, trace iodine was not detected in air. Optimal delay times were determined to be 10 µs for argon and 1 µs for helium, which are consistent with the expected shorter plasma lifetime in helium relative to argon. An emission line survey was provided with the 206.16, 804.37, 902.24, and 905.83 nm peaks, which were identified as the strongest emission peaks. Calibration models were successfully built in both helium and argon, achieving LODs down to 3 ppm in helium and 5 ppm in argon. The iodine emission at 905.83 nm emerged as the most robust for calibration and was subsequently applied to a time series dataset in argon. The predictive trace confirmed the feasibility of employing LIBS for continuous, online quantification of trace iodine in flowing gas systems.

Andrews, Hunter B. [Oak Ridge National Laboratory ↗
DOE OSTI2026

Tuneable electronic coupling in linked bis(cubane) cobalt-oxo clusters

A family of cobalt-oxo bis(cubane) complexes wherein each subunit is derived from the Co 4 O 4 cubane, a known water oxidation catalyst, was synthesized. Both 4,4′-bipyrdine and pyrazine were demonstrated to serve as viable bridging ligands. Through an analysis of their half-wave splitting potentials, it was determined that pyrazine-bridged bis(cubane)s exhibit inter-cubane electronic coupling, and that this coupling may be tuned through ligand substitution. Electrostatic contributions to the half-wave splitting potentials were evaluated and found to result in “non-conformist” behavior related to the ion-pairing ability of the electrolytes.

Maddi, Vincent J. P. [University of California, Be↗
DOE OSTI2019

Quantum Associative Memory in Hep Track Pattern Recognition

We have entered the Noisy Intermediate-Scale Quantum Era. A plethora of quantum processor prototypes allow evaluation of potential of the Quantum Computing paradigm in applications to pressing computational problems of the future. Growing data input rates and detector resolution foreseen in High-Energy LHC (2030s) experiments expose the often high time and/or space complexity of classical algorithms. Quantum algorithms can potentially become the lower-complexity alternatives in such cases. In this work we discuss the potential of Quantum Associative Memory (QuAM) in the context of LHC data triggering. We examine the practical limits of storage capacity, as well as store and recall errorless efficiency, from the viewpoints of the state-of-the-art IBM quantum processors and LHC real-time charged track pattern recognition requirements. We present a software prototype implementation of the QuAM protocols and analyze the topological limitations for porting the simplest QuAM instances to the public IBM 5Q and 14Q cloud-based superconducting chips.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Evaluation of the Passive Cooling Potential of Thermal Mass Inherent in Medium to Large Commercial Buildings

Typical commercial construction inherently contains large surface areas of relatively thin mass located in the floor slabs. This research asks how effective this mass could be for passive cooling, relative to other mass depths, if it were to be exposed and used as thermal mass. Although much of the rich literature on thermal mass has been conducted with far greater mass depths, a more limited amount of research suggests that because the surface heat transfer rate is limited, the focus should be on the surface area of exposed mass, not its depth. This presents an opportunity for more buildings to behave more thermally massively, if the mass inherent in typical floor slabs contains utility, particularly over diurnal cycles. In all climates analyzed, it was found that there is a pronounced shoulder where energy savings from passive cooling of increasing mass depths was steep until roughly 7.5–10 cm, and beyond this point the achieved energy savings diminished rapidly. When considering the embodied energy of concrete, the incremental benefit of added mass beyond a typical topping slab of 10 cm does not justify the incremental embodied energy cost from a total energy standpoint alone.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2012

Multi-energy x-ray imaging and sensing for diagnostic and control of the burning plasma

New diagnostic and sensor designs are needed for future burning plasma (BP) fusion experiments, having good space and time resolution and capable of prolonged operation in the harsh BP environment. We evaluate the potential of multi-energy x-ray imaging with filtered detector arrays for BP diagnostic and control. Experimental studies show that this simple and robust technique enables measuring with good accuracy, speed, and spatial resolution the T{sub e} profile, impurity content, and MHD activity in a tokamak. Applied to the BP this diagnostic could also serve for non-magnetic sensing of the plasma position, centroid, ELM, and RWM instability. BP compatible x-ray sensors are proposed using 'optical array' or 'bi-cell' detectors.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2012

Impact of the surface-near silicon substrate properties on the microstructure of sputter-deposited AlN thin films

In micro-/nanomachined devices and systems, aluminum nitride (AlN) thin films are widely used due to their piezoelectric properties. This work evaluates the potential of modifying the interface between the AlN thin film and the silicon (Si) wafer serving as bottom electrode for optimized crystallographic orientation and, hence, improved electrical and piezoelectric properties. The films were analyzed using temperature-dependant leakage current measurements, transmission electron microscopy, and x-ray diffraction. By preconditioning of the Si substrate surface applying sputter etching prior to film deposition, leakage current levels are substantially decreased and an increased (002) orientation of the AlN grains is observed.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Supersaturating silicon with transition metals by ion implantation and pulsed laser melting

We investigate the possibility of creating an intermediate band semiconductor by supersaturating Si with a range of transition metals (Au, Co, Cr, Cu, Fe, Pd, Pt, W, and Zn) using ion implantation followed by pulsed laser melting (PLM). Structural characterization shows evidence of either surface segregation or cellular breakdown in all transition metals investigated, preventing the formation of high supersaturations. However, concentration-depth profiling reveals that regions of Si supersaturated with Au and Zn are formed below the regions of cellular breakdown. Fits to the concentration-depth profile are used to estimate the diffusive speeds, v{sub D,} of Au and Zn, and put lower bounds on v{sub D} of the other metals ranging from 10{sup 2} to 10{sup 4} m/s. Knowledge of v{sub D} is used to tailor the irradiation conditions and synthesize single-crystal Si supersaturated with 10{sup 19} Au/cm{sup 3} without cellular breakdown. Values of v{sub D} are compared to those for other elements in Si. Two independent thermophysical properties, the solute diffusivity at the melting temperature, D{sub s}(T{sub m}), and the equilibrium partition coefficient, k{sub e}, are shown to simultaneously affect v{sub D}. We demonstrate a correlation between v{sub D} and the ratio D{sub s}(T{sub m})/k{sub e}{sup 0.67}, which is exhibited for Group III, IV, and V solutes but not for the transition metals investigated. Nevertheless, comparison with experimental results suggests that D{sub s}(T{sub m})/k{sub e}{sup 0.67} might serve as a metric for evaluating the potential to supersaturate Si with transition metals by PLM.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Thorium, uranium and rare earth elements content in lanthanide concentrate (LC) and water leach purification (WLP) residue of Lynas advanced materials plant (LAMP)

Lynas Advanced Materials Plant (LAMP) has been licensed to produce the rare earths elements since early 2013 in Malaysia. LAMP processes lanthanide concentrate (LC) to extract rare earth elements and subsequently produce large volumes of water leach purification (WLP) residue containing naturally occurring radioactive material (NORM). This residue has been rising up the environmental issue because it was suspected to accumulate thorium with significant activity concentration and has been classified as radioactive residue. The aim of this study is to determine Th-232, U-238 and rare earth elements in lanthanide concentrate (LC) and water leach purification (WLP) residue collected from LAMP and to evaluate the potential radiological impacts of the WLP residue on the environment. Instrumental Neutron Activation Analysis and γ-spectrometry were used for determination of Th, U and rare earth elements concentrations. The results of this study found that the concentration of Th in LC was 1289.7 ± 129 ppm (5274.9 ± 527.6Bq/kg) whereas the Th and U concentrations in WLP were determined to be 1952.9±17.6 ppm (7987.4 ± 71.9 Bq/kg) and 17.2 ± 2.4 ppm respectively. The concentrations of Th and U in LC and WLP samples determined by γ- spectrometry were 1156 ppm (4728 ± 22 Bq/kg) and 18.8 ppm and 1763.2 ppm (7211.4 Bq/kg) and 29.97 ppm respectively. This study showed that thorium concentrations were higher in WLP compare to LC. This study also indicate that WLP residue has high radioactivity of {sup 232}Th compared to Malaysian soil natural background (63 - 110 Bq/kg) and come under preview of Act 304 and regulations. In LC, the Ce and Nd concentrations determined by INAA were 13.2 ± 0.6% and 4.7 ± 0.1% respectively whereas the concentrations of La, Ce, Nd and Sm in WLP were 0.36 ± 0.04%, 1.6%, 0.22% and 0.06% respectively. This result showed that some amount of rare earth had not been extracted and remained in the WLP and may be considered to be reextracted.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2014

Development and methodology of level 1 probability safety assessment at PUSPATI TRIGA Reactor

As a consequence of the accident at the Fukushima Dai-ichi Nuclear Power Plant in Japan, the safety aspects of the one and only research reactor (31 years old) in Malaysia need be reviewed. Based on this decision, Malaysian Nuclear Agency in collaboration with Atomic Energy Licensing Board and Universiti Kebangsaan Malaysia develop a Level-1 Probability Safety Assessment on this research reactor. This work is aimed to evaluate the potential risks of incidents in RTP and at the same time to identify internal and external hazard that may cause any extreme initiating events. This report documents the methodology in developing a Level 1 PSA performed for the RTP as a complementary approach to deterministic safety analysis both in neutronics and thermal hydraulics. This Level-1 PSA work has been performed according to the procedures suggested in relevant IAEA publications and at the same time numbers of procedures has been developed as part of an Integrated Management System programme implemented in Nuclear Malaysia.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2014

Bioaccumulation factor of {sup 137}Cs in some marine biotas from West Bangka Indonesia

Radionuclides may be released from nuclear facilities to the marine environment. Concentrations of radionuclides within marine biotic systems can be influenced by a number of factors, including the type of biota, its source, the radionuclide, and specific characteristics of the sampled specimens and the marine environment (salinity, etc.). The bioconcentration factor for a marine organism is the ratio of the concentration of a radionuclide in that organism to the concentration found in its marine water environment - under conditions of equilibrium. Information on the bioaccumulation of Cs-137 in marine organisms is required to risk assessment evaluates the potential risks to human health. Bioaccumulation of Cs was investigated in marine biota from west Bangka such as Marine cat fish (Arius thalassinus), Baramundi (Lates calcarifer), Mackerel (Scomberomorus commerson), Striped eel catfish (Plotosus lineatus), eel tailed fish (Euristhmus microceps), Yellowtail fusilier (Caesio erythrogaster), Coastal crab (Scylla sp), White shrimp (Penaeus merguiensis) and marine bivalve mollusk (Anadara granosa). Muscle of these marine biota, sediments and water were assayed for Cs-137 by HPGe gamma spectrometer. The bioaccumulation factor for fishes were calculated by ratio of concentration Cs-137 in muscle biota to the its concentration in water. The bioaccumulation factor for mollusks were calculates by ratio of concentration Cs-137 in muscle biota to the its concentration in sediments. The bioaccumulation factor were range 4.99 to 136.34.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Diffusion of Cd and Te adatoms on CdTe(111) surfaces: A computational study using density functional theory

CdTe is one of the most promising semiconductor for thin-film based solar cells. Here we report a computational study of Cd and Te adatom diffusion on the CdTe (111) A-type (Cd terminated) and B-type (Te terminated) surfaces and their migration paths. The atomic and electronic structure calculations are performed under the DFT formalism and climbing Nudge Elastic Band (cNEB) method has been applied to evaluate the potential barrier of the Te and Cd diffusion. In general the minimum energy site on the surface is labeled as A{sub a} site. In case of Te and Cd on B-type surface, the sub-surface site (a site just below the top surface) is very close in energy to the A site. This is responsible for the subsurface accumulation of adatoms and therefore, expected to influence the defect formation during growth. The diffusion process of adatoms is considered from A{sub a} (occupied) to A{sub a} (empty) site at the nearest distance. We have explored three possible migration paths for the adatom diffusion. The adatom surface interaction is highly dependent on the type of the surface. Typically, Te interaction with both type (5.2 eV for A-type and 3.8 eV for B-type) is stronger than Cd interactions(2.4 eV for B-type and 0.39 eV for A-type). Cd interaction with the A-type surface is very weak. The distinct behavior of the A-type and B-type surfaces perceived in our study explain the need of maintaining the A-type surface during growth for smooth and stoichiometric growth.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Temperature dependence of Brillouin light scattering spectra of acoustic phonons in silicon

Electrons, optical phonons, and acoustic phonons are often driven out of local equilibrium in electronic devices or during laser-material interaction processes. The need for a better understanding of such non-equilibrium transport processes has motivated the development of Raman spectroscopy as a local temperature sensor of optical phonons and intermediate frequency acoustic phonons, whereas Brillouin light scattering (BLS) has recently been explored as a temperature sensor of low-frequency acoustic phonons. Here, we report the measured BLS spectra of silicon at different temperatures. The origins of the observed temperature dependence of the BLS peak position, linewidth, and intensity are examined in order to evaluate their potential use as temperature sensors for acoustic phonons.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Photoluminescence analysis of Ce{sup 3+}:Zn{sub 2}SiO{sub 4} & Li{sup +}+ Ce{sup 3+}:Zn{sub 2}SiO{sub 4}: phosphors by a sol-gel method

Here, we report on the development and photoluminescence analysis of Zn{sub 2}SiO{sub 4}, Ce{sup 3+}:Zn{sub 2}SiO{sub 4} & Li{sup +} + Ce{sup 3+}: Zn{sub 2}SiO{sub 4} novel powder phosphors prepared by a sol-gel technique. The total amount of Ce{sup 3+} ions was kept constant in this experiment at 0.05 mol% total doping. The excitation and emission spectra of undoped (Zn{sub 2}SiO{sub 4}) and Ce{sup 3+} doped Zn{sub 2}SiO{sub 4} and 0.05 mol% Li{sup +} co-doped samples have been investigated. Cerium doped Zn{sub 2}SiO{sub 4} powder phosphors had broad blue emission corresponding to the 2D{sub 3/2}→2F{sub J} transition at 443nm. Stable green-yellow-red emission has been observed from Zn{sub 2}SiO{sub 4} host matrix and also we have been observed the enhanced luminescence of Li{sup +} co-doped Zn{sub 2}SiO{sub 4}:Ce{sup 3+}. Excitation and emission spectra of these blue luminescent phosphors have been analyzed in evaluating their potential as luminescent screen coating phosphors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Electronic structures and formation energies of pentavalent-ion-doped SnO{sub 2}: First-principles hybrid functional calculations

We studied the electronic properties and relative thermodynamic stability of several pentavalent-ion (Ta, Nb, P, Sb, and I) doped SnO{sub 2} systems using first-principles hybrid density functional theory calculations, in order to evaluate their potential as transparent conducting oxides (TCOs). I-doped SnO{sub 2}, though conductive, shows a narrowed optical band gap with respect to the undoped system due to the formation of gap states above the valence band. Nb-doped SnO{sub 2} forms localized impurity states below the conduction band bottom, suggesting that the Nb dopant exists as an Nb{sup 4+}-like cation, which is consistent with the recent experimental finding of the formation of the impurity level below the conduction band bottom [Appl. Phys. Express 5, 061201 (2012)]. Ta- and Sb-doped SnO{sub 2} display n-type conductivity, high charge carrier density, and widened optical band gap. P-doped SnO{sub 2} shows similar n-type electronic properties with that of Sb- and Ta-doped systems, and thus P-doped SnO{sub 2} is proposed as a promising candidate TCO for further experimental validation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Enhanced Pr{sup 3+} photoluminescence by energy transfer in SrF{sub 2} : Eu{sup 2+}, Pr{sup 3+} phosphor

Efficient energy transfer was demonstrated in the SrF{sub 2} : Eu{sup 2+}, Pr{sup 3+} phosphor synthesized by the co-precipitation method. Results obtained with X-ray diffraction (XRD), scanning electron microscopy (SEM), x-ray spectroscopy (XPS), photoluminescence (PL) and decay curves proposed the UV-Vis energy transfer process. The energy transfer process between the Eu{sup 2+} and Pr{sup 3+} ions in SrF{sub 2} was investigated to evaluate the potential of the Eu{sup 2+} ion as a sensitizer for the Pr{sup 3+} ion. The results proposed that Eu{sup 2+} could be a good sensitizer for absorbing the UV photons and efficiently enhancing the Pr{sup 3+} emission intensity. The energy transfer process was effective until concentration quenching for the Pr{sup 3+} ions occurred. The concentration quenching was attributed to cross-relaxation between the Pr{sup 3+} ions.

36 MATERIALS SCIENCE↗