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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

Nuclear Data Sheets for A = 33

The experimental data are evaluated for known nuclides of mass number A=33 (Ne, Na, Mg, Al, Si, P, S, Cl, Ar, K). Detailed evaluated level properties and related information are presented, including adopted values of level and {gamma}-ray energies, decay data (energies, intensities and placement of radiations), and other spectroscopic data. This work supersedes earlier full evaluations of A=33 published by 1990En08 (also 1998En04 update) and 1978En02. Experimental studies for the identification of the {sup 33}Ne and {sup 33}K nuclides have not met with success as yet. Values of S(n) and S(p) from systematics for {sup 33}Ne and {sup 33}K, respectively suggest that these nuclei are likely to be unstable to particle emission. The radioactive decay schemes of {sup 33}Na and {sup 33}Al seem incomplete in view of large Q values and known excitations much below than allowed by the Q values. The {sup 33}S and {sup 33}Cl nuclides remain as the most extensively studied from many different reactions and decays.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

The Caudate Lobe: The Blind Spot in Radioembolization or an Overlooked Opportunity?

PurposeThe caudate lobe (CL) is impartial to the functional left and right hemi-liver and has outspoken inter-individual differences in arterial vascularization. Unfortunately, this complexity is not specifically taken into account during radioembolization treatment (RE), potentially resulting in under- or overtreatment of the CL. The objective of this study was to evaluate the CL coverage in RE and determine the detection rate of the CL arteries on CT angiography during work-up.MethodsIn all consecutive patients who underwent RE treatment between May 2012–January 2015, {sup 99m}Tc-MAA SPECT/CT and posttreatment scans ({sup 90}Y-bremsstrahlung SPECT/CT, {sup 90}Y-PET/CT, or {sup 166}Ho-SPECT/CT) were reviewed for activity in the CL. Pretreatment CT angiographies were reviewed for the visibility of the CL arteries.ResultsEighty-two patients were treated. In 32/82 (39 %) the CL was involved. In 6/32 (19 %) patients, no activity was seen on the posttreatment scan in the CL, whereas in 40/50 (80 %) patients without CL tumor involvement, the CL was treated. {sup 99m}Tc-MAA SPECT/CT and final posttreatment scans were discordant in 16/78 (21 %). {sup 99m}Tc-MAA SPECT/CT had a positive and negative predictive value of 94 % and 46 %, respectively, for activity in the CL after RE. In untreated CLs, significant hypertrophy was observed with a median volume increase of 33 % (p = 0.02). CL arteries were seldom visible on the pretreatment CT; the identification rate was 12–17 %.ConclusionCurrently in RE treatments, targeting or sparing of the CL is highly erratic and independent of tumor involvement. Intentional treatment or bypassing of the CL seems worthwhile to either improve tumor coverage or enhance the functional liver remnant.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2014

SU-E-J-03: A Comprehensive Comparison Between Alpha and Beta Emitters for Cancer Radioimmunotherapy

Purpose: The purpose of this study is to perform a comprehensive comparison of the therapeutic efficacy and cytotoxicity of alpha and beta emitters for Radioimmunotherapy (RIT). For each stage of cancer development, specific models were built for the separate objectives of RIT to be addressed:a) kill isolated cancer cells in transit in the lymphatic and vascular circulation,b) regress avascular cell clusters,c) regress tumor vasculature and tumors. Methods: Because of the nature of short range, high LET alpha and long energy beta radiation and heterogeneous antigen expression among cancer cells, the microdosimetric approach is essential for the RIT assessment. Geant4 based microdosimetric models are developed for the three different stages of cancer progression: cancer cells, cell clusters and tumors. The energy deposition, specific energy resulted from different source distribution in the three models was calculated separately for 4 alpha emitting radioisotopes ({sup 211}At, {sup 213}Bi, {sup 223}Ra and {sup 225}Ac) and 6 beta emitters ({sup 32}P, {sup 33}P, {sup 67}Cu, {sup 90}Y, {sup 131}I and {sup 177}Lu). The cell survival, therapeutic efficacy and cytotoxicity are determined and compared between alpha and beta emitters. Results: We show that internal targeted alpha radiation has advantages over beta radiation for killing isolated cancer cells, regressing small cell clusters and also solid tumors. Alpha particles have much higher dose specificity and potency than beta particles. They can deposit 3 logs more dose than beta emitters to single cells and solid tumor. Tumor control probability relies on deep penetration of radioisotopes to cancer cell clusters and solid tumors. Conclusion: The results of this study provide a quantitative understanding of the efficacy and cytotoxicity of RIT for each stage of cancer development.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Energies, fine structure, and radiative transitions of the high-lying core-excited states {sup 6}S{sup e,o}(n) and {sup 6}P{sup e,o}(n) (n=1–5) for the boron isoelectronic sequence

The Rayleigh–Ritz variation method using a multiconfiguration interaction wavefunction is carried out on the high-lying core-excited states {sup 6}S{sup e,o}(n) and {sup 6}P{sup e,o}(n) (n=1–5) for the boron isoelectronic sequence (Z=6–10), including mass polarization and relativistic corrections. Energy levels, fine structure, transition rates, and transition wavelengths for this system are calculated. Some energy levels of the high-n states are reported for the first time. Wavelengths of the electric-dipole transitions from these core-excited sextet states with quantum electro-dynamical effects and higher-order relativistic corrections are included. The lifetimes of the 1s2s2p{sup 2}3p{sup 6}S{sup o},1s2p{sup 3}3s{sup 6}S{sup o},1s2s2p{sup 2}3s{sup 6}P, 1s2s2p{sup 2}3d{sup 6}P, and 1s2p{sup 3}3p{sup 6}P states for the boron isoelectronic sequence are also reported. Our calculated results agree well in most cases with available theoretical and experimental data in the literature. -- Highlights: •The core-excited states {sup 6}S{sup e,o}(n) and {sup 6}P{sup e,o}(n) of B-like ions are studied. •Some energy levels for the high-n sextet series are reported for the first time. •Configuration structures of these states are checked by fine structure splittings. •Transition rates, wavelengths for these core-excited sextet states are reported.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2013

Massively parallel implementations of coupled-cluster methods for electron spin resonance spectra. I. Isotropic hyperfine coupling tensors in large radicals

Coupled cluster (CC) methods provide highly accurate predictions of molecular properties, but their high computational cost has precluded their routine application to large systems. Fortunately, recent computational developments in the ACES III program by the Bartlett group [the OED/ERD atomic integral package, the super instruction processor, and the super instruction architecture language] permit overcoming that limitation by providing a framework for massively parallel CC implementations. In that scheme, we are further extending those parallel CC efforts to systematically predict the three main electron spin resonance (ESR) tensors (A-, g-, and D-tensors) to be reported in a series of papers. In this paper inaugurating that series, we report our new ACES III parallel capabilities that calculate isotropic hyperfine coupling constants in 38 neutral, cationic, and anionic radicals that include the {sup 11}B, {sup 17}O, {sup 9}Be, {sup 19}F, {sup 1}H, {sup 13}C, {sup 35}Cl, {sup 33}S,{sup 14}N, {sup 31}P, and {sup 67}Zn nuclei. Present parallel calculations are conducted at the Hartree-Fock (HF), second-order many-body perturbation theory [MBPT(2)], CC singles and doubles (CCSD), and CCSD with perturbative triples [CCSD(T)] levels using Roos augmented double- and triple-zeta atomic natural orbitals basis sets. HF results consistently overestimate isotropic hyperfine coupling constants. However, inclusion of electron correlation effects in the simplest way via MBPT(2) provides significant improvements in the predictions, but not without occasional failures. In contrast, CCSD results are consistently in very good agreement with experimental results. Inclusion of perturbative triples to CCSD via CCSD(T) leads to small improvements in the predictions, which might not compensate for the extra computational effort at a non-iterative N{sup 7}-scaling in CCSD(T). The importance of these accurate computations of isotropic hyperfine coupling constants to elucidate experimental ESR spectra, to interpret spin-density distributions, and to characterize and identify radical species is illustrated with our results from large organic radicals. Those include species relevant for organic chemistry, petroleum industry, and biochemistry, such as the cyclo-hexyl, 1-adamatyl, and Zn-porphycene anion radicals, inter alia.

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

Thick homoepitaxial (110)-oriented phosphorus-doped n-type diamond

The fabrication of n-type diamond is essential for the realization of electronic components for extreme environments. We report on the growth of a 66 μm thick homoepitaxial phosphorus-doped diamond on a (110)-oriented diamond substrate, grown at a very high deposition rate of 33 μm h{sup −1}. A pristine diamond lattice is observed by high resolution transmission electron microscopy, which indicates the growth of high quality diamond. About 2.9 × 10{sup 16} cm{sup −3} phosphorus atoms are electrically active as substitutional donors, which is 60% of all incorporated dopant atoms. These results indicate that P-doped (110)-oriented diamond films deposited at high growth rates are promising candidates for future use in high-power electronic applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Doping Limits of Phosphorus, Arsenic, and Antimony in CdTe

Low p-type doping is a limiting factor to increase CdTe thin-film solar-cell efficiency toward the theoretical Shockley-Queisser limit of 33%. Previous calculations predict relatively high ionization energies for group-V acceptors (P, As, and Sb) and they are plagued by self-compensation, forming AX-centers, severely limiting hole concentration. However, recent experiments on CdTe single crystals indicate a much more favorable scenario, where P, As, and Sb behave as shallow acceptors. Using hybrid functional calculations, we solve this puzzle by showing that the ionization energies significantly decrease with the supercell size. When including the effects of spin-orbit coupling and extrapolating the results to the dilute limit, we find these impurities behave as hydrogenic-like shallow acceptors, and AX-centers are unstable and do not limit ptype doping. We address the differences between our results and previous theoretical predictions and show that our ionization energies predict hole concentrations that agree with recent temperature-dependent Hall measurements.

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

Impact of lubricant additives on the physicochemical properties and activity of three-way catalysts

As alternative lubricant anti-wear additives are sought to reduce friction and improve overall fuel economy, it is important that these additives are also compatible with current emissions control catalysts. In the present work, an oil-miscible phosphorous-containing ionic liquid (IL), trihexyltetradecylphosphonium bis(2-ethylhexyl) phosphate ([P 66614 ][DEHP]), is evaluated for its impact on three-way catalysts (TWC) and benchmarked against the industry standard zinc-dialkyl-dithio-phosphate (ZDDP). The TWCs are aged in different scenarios: neat gasoline (no-additive, or NA), gasoline+ZDDP, and gasoline+IL. The aged samples, along with the as received TWC, are characterized through various analytical techniques including catalyst reactivity evaluation in a bench-flow reactor. The temperatures of 50% conversion (T50) for the ZDDP-aged TWCs increased by 30, 24, and 25 °C for NO, CO, and C3H6, respectively, compared to the no-additive case. Although the IL-aged TWC also increased in T50 for CO and C3H6, it was notably less than ZDDP, 7 and 9 °C, respectively. Additionally, the IL-aged samples had higher water-gas-shift reactivity and oxygen storage capacity than the ZDDP-aged TWC. Characterization of the aged samples indicated the predominant presence of CePO 4 in the ZDDP-aged TWC aged by ZDDP, while its formation was retarded in the case of IL where higher levels of AlPO 4 is observed. Furthermore, the results in this work indicate that the phosphonium-phosphate IL potentially has less adverse impact on TWC than ZDDP.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRS1975

Spectra and structure of organophosphorus compounds. XII - Infrared and Raman spectra of /CH3/2PH and /CD3/2PH

The vibrational spectra of (CH3)2PH and (CD3)2PH have been studied and assignments made. In the infrared, the region between 4000 and 33 wavelength/cm was recorded for the gaseous and solid states, while Raman spectra from 3500 to 10 wavelength/cm in the gaseous, liquid and solid states were observed. There is some evidence of weak hydrogen bonding, based on the behavior of the phosphorus-hydrogen stretching and bending modes. There also appears to be considerable interaction between the methyl rocking and phosphorus-carbon stretching modes. The a double prime and a prime torsional modes appear to be accidentally degenerate at 182 and 142 wavelength/cm for the 'light' and 'heavy' compounds, respectively. This gives barriers of 2.14 and 2.30 kcal/mole, respectively.

Durig, J. R.↗
DOE OSTI2018

Combining spectroscopic and isotopic techniques gives a dynamic view of phosphorus cycling in soil

Current understanding of phosphorus (P) cycling in soils can be enhanced by integrating previously discrete findings concerning P speciation, exchange kinetics, and the underlying biological and geochemical processes. Here, we combine sequential extraction with P K-edge X-ray absorption spectroscopy and isotopic methods ( 33 P and 18 O in phosphate) to characterize P cycling on a climatic gradient in Hawaii. We link P pools to P species and estimate the turnover times for commonly considered P pools. Dissolved P turned over in seconds, resin-extractable P in minutes, NaOH-extractable inorganic P in weeks to months, and HCl-extractable P in years to millennia. Furthermore, we show that in arid-zone soils, some primary mineral P remains even after 150 ky of soil development, whereas in humid-zone soils of the same age, all P in all pools has been biologically cycled. The integrative information we provide makes possible a more dynamic, process-oriented conceptual model of P cycling in soils.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

AMF diversity promotes plant community phosphorus acquisition and reduces carbon costs per unit of phosphorus

Plants may benefit from more diverse communities of arbuscular mycorrhizal fungi (AMF), as functional complementarity of AMF may allow for increased resource acquisition, and because a high AMF diversity increases the probability of plants matching with an optimal AMF symbiont. Here, we repeatedly radiolabeled plants and AMF in the glasshouse over c. 9 months to test how AMF species richness (SR) influences the exchange of plant C ( 14 C) for AMF P ( 32 P & 33 P) and resulting shoot nutrients and mass from a biodiversity–ecosystem functioning perspective. Plant P acquisition via AMF increased with sown AMF SR, as did shoot biomass, shoot P, and shoot N. The rate of plant C transferred to AMF for this P (C:P) decreased with sown AMF SR. Plants in plant communities benefit from inoculation with a variety of AMF species via more favorable resource exchange. Surprisingly, this effect did not differ among functionally distinct communities comprised entirely of either legumes, nonlegume forbs, or C3 grasses.

arbuscular mycorrhizal fungi↗
DOE OSTI2019

Challenges of Fast Charging for Electric Vehicles and the Role of Red Phosphorous as Anode Material: Review

Electric vehicles (EVs) are being endorsed as the uppermost successor to fuel-powered cars, with timetables for banning the sale of petrol-fueled vehicles announced in many countries. However, the range and charging times of EVs are still considerable concerns. Fast charging could be a solution to consumers’ range anxiety and the acceptance of EVs. Nevertheless, it is a complicated and systematized challenge to realize the fast charging of EVs because it includes the coordinated development of battery cells, including electrode materials, EV battery power systems, charging piles, electric grids, etc. This paper aims to serve as an analysis for the development of fast-charging technology, with a discussion of the current situation, constraints and development direction of EV fast-charging technologies from the macroscale and microscale perspectives of fast-charging challenges. If the problem of fast-charging can be solved, it will satisfy consumers’ demand for 10-min charging and accelerate the development of electric vehicles. This paper summarized the development statuses, issues, and trends of the macro battery technology and micro battery technology. It is emphasized that to essentially solve the problem of fast charging, the development of new battery materials, especially anode materials with improved lithium ion diffusion coefficients, is the key. Finally, it is highlighted that red phosphorus is one of the most promising anodes that can simultaneously satisfy the double standards of high-energy density and fast-charging performance to a maximum degree.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

A free-standing lithium phosphorus oxynitride thin film electrolyte promotes uniformly dense lithium metal deposition with no external pressure

Lithium phosphorus oxynitride (LiPON) is an amorphous solid electrolyte that has been extensively studied over the last three decades. Despite the promise of pairing it with various electrode materials, LiPON’s rigidity and air sensitivity set limitations to understanding its intrinsic properties. We report a methodology to synthesize LiPON in a free-standing form that manifests remarkable flexibility and a Young’s modulus of ∼33 GPa. We use solid-state nuclear magnetic resonance and differential scanning calorimetry to quantitatively reveal the chemistry of the Li/LiPON interface and the presence of a well-defined LiPON glass-transition temperature of 207 °C. Combining interfacial stress and a gold seeding layer, our free-standing LiPON shows a uniformly dense deposition of lithium metal without the aid of external pressure. This free-standing LiPON film offers opportunities to study fundamental properties of LiPON for interface engineering for solid-state batteries.

25 ENERGY STORAGE↗
DOE OSTI2021

Assessment of BQ-9000 Biodiesel Properties for 2020 (CRADA CRD-15-593)

Biodiesel producers in the United States and Canada can voluntarily participate in the industry's BQ-9000 quality assurance program. This is the fourth in a series of reports documenting biodiesel quality from participating producers. Participants in the BQ-9000 program were requested to voluntarily provide data to a third-party team. This team anonymized and randomized the data prior to providing to the National Renewable Energy Laboratory (NREL) for analysis and reporting. The critical quality parameters analyzed are: sodium and potassium, calcium and magnesium, phosphorus, flash point and alcohol control, water and sediment, cloud point, acid number, free and total glycerin, monoglycerides, sulfur, oxidation stability, and cold soak filterability test (CSFT). The statistical analysis for these parameters is presented in Table ES-1.

09 BIOMASS FUELS↗
DOE OSTI2024

Plant choice between arbuscular mycorrhizal fungal species results in increased plant P acquisition

Arbuscular mycorrhizal fungi (AMF) are plant root symbionts that provide phosphorus (P) to plants in exchange for photosynthetically fixed carbon (C). Previous research has shown that plants—given a choice among AMF species—may preferentially allocate C to AMF species that provide more P. However, these investigations rested on a limited set of plant and AMF species, and it therefore remains unclear how general this phenomenon is. Here, we combined 4 plant and 6 AMF species in 24 distinct plant-AMF species compositions in split-root microcosms, manipulating the species identity of AMF in either side of the root system. Using 14 C and 32 P/ 33 P radioisotope tracers, we tracked the transfer of C and P between plants and AMF, respectively. We found that when plants had a choice of AMF species, AMF species which transferred more P acquired more C. Evidence for preferential C allocation to more beneficial AMF species within individual plant roots was equivocal. However, AMF species which transferred more P to plants did so at lower C-to-P ratios, highlighting the importance both of absolute and relative costs of P acquisition from AMF. When plants had a choice of AMF species, their shoots contained a larger total amount of P at higher concentrations. Our results thus highlight the benefits of plant C choice among AMF for plant P acquisition.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1994

Vitamin D Status in Monkey Candidates for Space Flight

In preparation for the Cosmos 2229 Biosatellite space flight experiments in Rhesus monkeys, we evaluated the status of vitamin D in animals of different origins: candidates for space flight raised in Moscow (IMBP) and animals housed at Ames Research Ctr. (ARC) for pilot studies. Diets at IMBP were natural foods found by analysis to contain 1.4% Ca, 2.8% P and<240 IU D3/kg and at ARC standard monkey chow with 0.9% Ca, 0.5% P and 6600 IU D3/kg. We measured body weights (BW), serum calcium (TCa), total protein (TP), phosphorus (Pi), alkaline phosphatase (AP), 25-hydroxyvitamin D (25D) and 1,25-dihydroxyvitamin D (1,25D) in 16 IMBP and 15 ARC male animals and indices of bone formation in cancellous bone obtained from iliac crest biopsy of 6 IMBP and 13 ARC animals. BW were the same in juveniles at IMBP as ARC although ARC monkeys were born a year later. Mean(1SD) TCa and TP were higher and 25D lower (1819 vs. 93+18 ng/ml,p<.001) in IMBP than ARC animals. 1,25D (174156 vs. 212+77 pg/ml), Pi and AP were similar. In bone, osteoid and osteoblast surfaces averaged 38114% and 33+15% in all, with %vol. of osteoid higher in IMBP than ARC monkeys of the same BW (p<.05) Indices of bone formation were inversely related to 25D, not 1,25D. Of interest are similar 1,25D levels associated with a wide range of substrate and extensive osteoid in bone of D replete animals.

Arnaud, S. B.↗
DOE OSTI2016

Potential uranium supply from phosphoric acid: A U.S. analysis comparing solvent extraction and Ion exchange recovery

Phosphate rock contains significant amounts of uranium, although in low concentrations. Recovery of uranium as a by-product from phosphoric acid, an intermediate product produced during the recovery of phosphorus from phosphate rock, is not unprecedented. Phosphoric acid plants ceased to produce uranium as a by-product in the early 1990s with the fall of uranium prices. In the last decade, this topic has regained attention due to higher uranium prices and expected increase in demand for uranium. Our study revisits the topic and estimates how much uranium might be recoverable from current phosphoric acid production in the United States and what the associated costs might be considering two different recovery processes: solvent extraction and ion exchange. Based on U.S. phosphoric acid production in 2014, 5.5 million pounds of U 3 O 8 could have been recovered, more than domestic U.S. mine production of uranium in the same year. Annualized costs for a hypothetical uranium recovery plant are US$48-66 per pound U 3 O 8 for solvent extraction, the process used historically in the United States to recover uranium from phosphoric acid. For ion exchange, not yet proven at a commercial scale for uranium recovery, the estimated costs are US$33-54 per pound U 3 O 8 . Our results suggest that it is technically possible for the United States to recover significant quantities of uranium from current phosphoric acid production. And for this type of uranium production to be economically attractive on a large scale, either recovery costs must fall or uranium prices rise.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2014

A National-Scale Comparison of Resource and Nutrient Demands for Algae-Based Biofuel Production by Lipid Extraction and Hydrothermal Liquefaction

Algae’s high productivity provides potential resource advantages over other fuel crops. However, demand for land, water, and nutrients must be minimized to avoid impacts on food production. We apply our national-scale, open-pond, growth and resource models to assess several biomass to fuel technological pathways based on Chlorella. We compare resource demands between hydrothermal liquefaction (HTL) and lipid extraction (LE) to meet 1.89E+10 and 7.95E+10 L yr-1 biofuel targets. We estimate nutrient demands where post-fuel biomass is consumed as co-products and recycling by anaerobic digestion (AD) or catalytic hydrothermal gasification (CHG). Sites are selected through prioritization based on fuel value relative to a set of site-specific resource costs. The highest priority sites are located along the Gulf of Mexico coast, but potential sites exist nationwide. We find that HTL reduces land and freshwater consumption by up to 46% and saline groundwater by around 70%. Without recycling, nitrogen (N) and phosphorous (P) demand is reduced 33%, but is large relative to current U.S. agricultural consumption. The most nutrient-efficient pathways are LE+CHG for N and HTL+CHG for P (by 42%). Resource gains for HTL+CHG are offset by a 344% increase in N consumption relative to LE+CHG (with potential for further recycling). Nutrient recycling is essential to effective use of alternative nutrient sources. Modeling of utilization availability and costs remains, but we find that for HTL+CHG at the 7.95E+10 L yr-1 production target, municipal sources can offset 17% of N and 40% of P demand and animal manures can generally meet demands.

algae biofuel, sustainability, flue gas, nitrogen,↗