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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Automated Optically Guided System for Chemical Analysis of Single Plant and Algae Cells Using Laser Microdissection/Liquid Vortex Capture/Mass Spectrometry

Current analytical methods are not capable of providing rapid, sensitive, and comprehensive chemical analysis of a wide range of cellular constitutes of single cells (e.g., lipids, metabolites, proteins, etc.) from dispersed cell suspensions and thin tissues. This capability is important for a number of critical applications, including discovery of cellular mechanisms for coping with chemical or environmental stress and cellular response to drug treatment, to name a few. Here we introduce an optically guided platform and methodology for rapid, automated recognition, sampling, and chemical analysis of surface confined individual cells utilizing a novel hybrid laser capture microdissection/liquid vortex capture/mass spectrometry system. The system enabled automated analysis of single cells by reliably detecting and sampling them either through laser ablation from a glass microscope slide or by cutting the entire cell out of a poly(ethylene naphthalate)-coated membrane substrate that the cellular sample is deposited on. Proof of principle experiments were performed using thin tissues of Allium cepa and cultured Euglena gracilis and Phacus cell suspensions as model systems for single cell analysis using the developed method. Reliable, hands-off laser ablation sampling coupled to liquid vortex capture/mass spectrometry analysis was conducted for hundreds of individual Allium cepa cells in connected tissue. In addition, more than 300 individual Euglena gracilis and Phacus cells were analyzed automatically and sampled using laser microdissection sampling with the same liquid vortex capture/mass spectrometry analysis system. Principal component analysis-linear discriminant analysis, applied to each mass spectral dataset, was used to determine the accuracy of differentiation of the different algae cell lines.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2013

Sub-250 nm light emission and optical gain in AlGaN materials

We investigate the deep-UV optical emission and gain properties of Al{sub x}Ga{sub 1-x}N/Al{sub y}Ga{sub 1-y}N multiple quantum wells structures. These structures were grown by plasma-assisted molecular-beam epitaxy on 6H-SiC substrates, under a growth mode which promotes various degrees of band-structure potential fluctuations in the form of cluster-like features within the wells. The degree of inhomogeneities in these samples was determined by cathodoluminescence mapping. We measured the TE-polarized amplified spontaneous emission in the sample with cluster-like features and quantified the optical absorption/gain coefficients and gain spectra by the variable stripe length technique under ultrafast optical pumping. A maximum net modal gain of about 120 cm{sup -1} is measured at 4.9 eV. On the other hand, we found that samples with homogeneous quantum wells lead to absorption. Numerical simulations are performed to support our experimental findings.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Elimination of surface band bending on N-polar InN with thin GaN capping

0.5–1 μm thick InN (0001) films grown by molecular-beam epitaxy with N- or In-polarity are investigated for the presence of native oxide, surface energy band bending, and effects introduced by 2 to 4 monolayers of GaN capping. Ex situ angle-resolved x-ray photo-electron spectroscopy is used to construct near-surface (GaN)/InN energy profiles, which is combined with deconvolution of In3d signal to trace the presence of InN native oxide for different types of polarity and capping. Downwards surface energy band bending was observed on bare samples with native oxide, regardless of the polarity. It was found that the In-polar InN surface is most readily oxidized, however, with only slightly less band bending if compared with the N-polar sample. On the other hand, InN surface oxidation was effectively mitigated by GaN capping. Still, as confirmed by ultra-violet photo-electron spectroscopy and by energy band diagram calculations, thin GaN cap layer may provide negative piezoelectric polarization charge at the GaN/InN hetero-interface of the N-polar sample, in addition to the passivation effect. These effects raised the band diagram up by about 0.65 eV, reaching a flat-band profile.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Guide to Calculating Transport Efficiency of Aerosols in Occupational Air Sampling Systems

This report will present hand calculations for transport efficiency based on aspiration efficiency and particle deposition losses. Because the hand calculations become long and tedious, especially for lognormal distributions of aerosols, an R script (R 2011) will be provided for each element examined. Calculations are provided for the most common elements in a remote air sampling system, including a thin-walled probe in ambient air, straight tubing, bends and a sample housing.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2013

Structural and magnetic properties of quasi-one-dimensional doped LiCuVO{sub 4}

The Neutron diffraction, X-ray photoemission and Magnetic properties of Zn, Co and Mn-doped LiCuVO{sub 4} were investigated. Both with Zn and Co doping the antiferromagnetic correlation increase. On the other hand Mn-doping induces the short range ferromagnetic ordering. Neutron diffraction study does not show any phase transition down to 5 K i.e., there is no indication of long range magnetic ordering. Neutron diffraction study also indicates that with Zn, Co and Mn doping the V–O lengths are changed. Maximum change in the V–O distances is observed for Mn-doped sample. On the other hand, X-ray photoemission spectroscopic data indicates Mn doping converts some Cu{sup 2+} ions into Cu{sup 3+} ions. - Graphical abstract: LiCuVO{sub 4} is a quasi-one-dimensional spin magnet. It shows antiferromagnetic ordering. It is observed when Mn is doped in the Cu site of LiCuVO{sub 4} a short range ferromagnetic ordering occurs. - Highlights: • LiCuVO{sub 4} is an one-dimensional spin chain system. • Mn ion is doped in Cu site to induce ferromagnetism. • Doping of Mn ion changes the Cu–O–Cu bond angle which in effect induces ferromagnetism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Evolution of LIBS technology to mobile instrumentation for expediting firearm-related investigations at the laboratory and the crime scene

Gunshot residue (GSR) is one of the few forensic disciplines that lack accurate screening techniques. This study proposes using a mobile LIBS instrument to detect inorganic GSR and compares performance to a previously validated laboratory instrument. The mobile LIBS is designed with advanced configurations specifically for on-site GSR analysis, including a CMOS detector and a sampling chamber that holds up to six typical GSR collection devices with separate gas flow ports to prevent cross-contamination. A significant novelty of the portable instrument is its image magnification, which allows quick searching and visualization of GSR particle morphology. The single-particle imaging and elemental composition capability is one of a kind and offers superior confirmatory features for GSR. The mobile LIBS performance was evaluated for residues collected from the hands of shooters (100 samples) and non-shooters (200 background samples), analyzed sequentially by the mobile instrument and then the laboratory instrument. Accuracies better than 98.8% were obtained by both instruments, demonstrating their suitability for trace IGSR detection from skin specimens. Implementation of this methodology is anticipated to drastically speed up response times (i.e., from several hours per sample by standard SEM-EDS practice to a few minutes by LIBS). The screening methods can be easily incorporated into workflows to improve decision-making processes at the crime scene and laboratory settings, reduce backlogs, and improve case management.

47 OTHER INSTRUMENTATION↗
NASA NTRS1993

Interpretation of discrepancies in mass spectroscopy data obtained from different experimental configurations

Many helium mass spectrometer leak detectors at KSC employ sampling systems that feature hand held sniffer probes. Authors of general leakage-testing literature recommend sniffer probes for leak location but not for quantitative leakage measurement. Their use in the latter application at KSC involves assumptions that may be subtle. The purpose of the research effort reported herein was to establish the significance of indicated leak rates displayed by sniffer-probe equipped leak detectors and to determine whether the use of alternative hardware or testing procedures may reduce the uncertainty of leakage measurements made with them. The report classifies probe-type sampling systems for helium leak detectors according to their internal plumbing (direct or branched), presents a basic analysis of the fluid dynamics in the sampling system in the branched-conduit case, describes the usual test method for measuring the internal supply-to-sample flowrate ratio (a.k.a permeation ratio), and describes a concept for a sponge-tipped probe whose external supply-to-sample flowrate ratio promises to be lower than that of a simple-ended probe. One conclusion is that the main source of uncertainty in the use of probe-type sampling systems for leakage measurement is uncertainty in the external supply-to-sample flowrate ratio. In contrast, the present method for measuring the internal supply-to-sample flowrate ratio is quantitative and satisfactory. The implication is that probes of lower external supply-to-sample flowrate ratio must be developed before this uncertainty may be reduced significantly.

Russell, John M.↗
DOE OSTI2019

Snow and Surface Water Chemistry and Isotopes in Utqiagvik (Barrow), Alaska, 2013

Data include results from water chemistry and water isotope analyses for samples collected in Utqiagvik (Barrow), Alaska June through September of 2013. Snow and surface water were collected, by hand and using an ISCO sample collector, respectively from locations within the Barrow Environmental Observatory. This dataset includes one csv file and one pdf file.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1995

Hazardous Fluids Compatibility Test Apparatus

Document describes test apparatus designed to hold test tubes containing hazardous fluids such as hydrazine, nitrogen tetroxide, or ammonia. Test tube suspended over water bath or other solution or mixture. Control of test sample performed by one-hand operation within fume hood or glove box. System adaptable for automated control of lowering and raising of test samples.

Flores, Frank↗
DOE OSTI2022

Tuning the melting point and phase stability of rare-earth oxides to facilitate their crystal growth from the melt

The challenge of growing rare-earth (RE) sesquioxide crystals can be overcome by tailoring their structural stability and melting point via composition engineering. This work contributes to the advancement of the field of crystal growth of high-entropy oxides. A compound with only small REs (Lu,Y,Ho,Yb,Er) 2 O 3 maintains a cubic C-type structure upon cooling from the melt, as observed via in-situ high-temperature neutron diffraction on aerodynamically levitated samples. On the other hand, a compound with a mixture of small and large REs (Lu,Y,Ho,Nd,La) 2 O 3 crystallizes as a mixture of a primary C-type phase with an unstable secondary phase. Crystals of compositions (Lu,Y,Ho,Nd,La) 2 O 3 and (Lu,Y,Gd,Nd,La) 2 O 3 were grown by the micro-pulling-down (mPD) method with a single monoclinic B-type phase, while a powder of (Lu,Y,Ho,Yb,Er) 2 O 3 did not melt at the maximum operating temperature of an iridium-rhenium crucible. The minimization of the melting point of the two grown crystals is attributed to the mismatch in cation sizes. The electron probe microanalysis reveals that the general element segregation behavior in the crystals depends on the composition.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Neutron scattering of iron-based superconductors

Low-energy spin excitations have been studied on polycrystalline LaFeAsO{sub 1-x}F{sub x} samples by inelastic neutron scattering. The Q-integrated dynamical spin susceptibility {chi}{double_prime}({omega}) of the superconducting samples is found to be comparable to that of the magnetically ordered parent sample. On the other hand, {chi}{double_prime}({omega}) almost vanishes at x = 0.158, where the superconducting transition temperature T{sub c} is suppressed to 7 K. In addition, {chi}{double_prime}({omega}) in optimally doped LaFeAsO{sub 0.918}F{sub 0.082} with T{sub c} = 29 K exhibits a spin resonance mode. The peak energy, E{sub res}, when scaled by k{sub B}T{sub c} is similar to the value of about 4.7 reported in other high-T{sub c} iron-based superconductors. This result suggests that there is intimate relationship between the dynamical spin susceptibility and high-T{sub c} superconductivity in iron-based superconductors, and is consistent with a nesting condition between Fermi surfaces at the {Gamma} and M points.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Empirically Optimized One-Electron Pseudopotential for the Hydrated Electron: A Proof-of-Concept Study

Mixed quantum-classical molecular dynamics simulations have been important tools for studying the hydrated electron. They generally use a one-electron pseudopotential to describe the interactions of an electron with the water molecules. Furthermore, this approximation shows both the strength and weakness of the approach. On the one hand, it enables extensive statistical sampling and large system sizes that are not possible with more accurate ab initio molecular dynamics methods. On the other hand, there has (justifiably) been much debate about the ability of pseudopotentials to accurately and quantitatively describe the hydrated electron properties. These pseudopotentials have largely been derived by fitting them to ab initio calculations of an electron interacting with a single water molecule. In this paper, we present a proof-of-concept demonstration of an alternative approach in which the pseudopotential parameters are determined by optimizing them to reproduce key experimental properties. Specifically, we develop a new pseudopotential, using the existing TBOpt model as a starting point, which correctly describes the hydrated electron vertical detachment energy and radius of gyration. In addition to these properties, this empirically optimized model displays a significantly modified solvation structure, which improves, for example, the prediction of the partial molar volume.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2024

Irreversible Catalyst Deactivation Mechanisms of PdO/γ-Al 2 O 3 Catalysts for Lean Methane Oxidation

PdO/γ-Al 2 O 3 catalysts suffer from gradual and irreversible catalyst deactivation under lean CH 4 oxidation conditions, especially in a wet feed. Here, time-resolved CO chemisorption DRIFTS measurements are conducted systematically on a series of PdO/γ-Al 2 O 3 catalysts to probe the surface reactivity of PdO nanoparticles after various in situ pretreatments. At 80 °C, CO barely adsorbs on fully oxidized PdO surfaces but interacts with coordinatively unsaturated Pd sites, causing gradual reduction of the PdO surfaces. This results in the formation of characteristic IR bands on various metallic Pd 0 sites. By monitoring and comparing the formation kinetics of these IR bands on samples before and after CH 4 oxidation, we theorize that the irreversible catalyst deactivation during CH 4 oxidation is caused by PdO surface reconstruction, in which coordinatively unsaturated Pd sites gradually become fully coordinated by oxygen. Effectively, the surface reconstruction leads to the formation of a passivation layer on the PdO nanoparticles, which hinders their ability in activating CH 4 , and hence the subsequent oxidation reaction. Temperature-programmed reduction with CO as the reductant (CO-TPR) reveals that the passivation layer formed during CH 4 oxidation is significant enough to increase the reduction temperature of PdO nanoparticles of the 3.0% PdO/γ-Al 2 O 3 samples, although such an effect is less obvious for the 0.4% PdO/γ-Al 2 O 3 samples. On the other hand, it is also discovered that the passivation layer is not completely inert. Under certain reaction conditions, with some being relatively mild, such as low-temperature CO oxidation in a net lean atmosphere and in the presence of H 2 O, the passivation layer can undergo structure change which results in regeneration or even activation of CH 4 oxidation activity of an already deactivated catalyst. Additionally, it is discovered that the fully coordinated Pd–O surface is a metastable phase under CH 4 oxidation conditions. In the presence of H 2 O and at ambient temperatures, surfaces with coordinatively unsaturated Pd sites are thermodynamically more favorable.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Simultaneous Sterilization With Surface Modification Of Plastic Bottle By Plasma-Based Ion Implantation

Dry sterilization of polymeric material is developed. The technique utilizes the plasma-based ion implantation which is same as for surface modification of polymers. Experimental data for sterilization are obtained by using spores of Bacillus subtilis as samples. On the other hand we previously showed that the surface modification enhanced the gas barrier characteristics of plastic bottles. Comparing the implantation conditions for the sterilization experiment with those for the surface modification, we find that both sterilization and surface modification are simultaneously performed in a certain range of implantation conditions. This implies that the present bottling system for plastic vessels will be simplified and streamlined by excluding the toxic peroxide water that has been used in the traditional sterilization processes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Influence of neutron flux, frequency and temperature to electrical impedance of nano silica particles

We studied electric impedance of SiO{sub 2} nanomaterial at its initial state and after being exposed to continuous neutron irradiation for up to 20 hours. In doing so we employed a flux of neutrons of 2x10{sup 13} n⋅cm{sup −2}s{sup −1} while the frequency and temperature ranges amounted to 0,09 – 2.3 MHz and 100 – 400 K correspondingly. Analysis in terms of the Cole-Cole expression revealed that with increasing irradiation period the polarization and relaxation times decrease as a result of combination of nanoparticles. Moreover, it is demonstrated that the electric conductivity of samples, on the other hand, increases with the increasing irradiation period. At low temperatures formations of clusters at three distinct states with different energies were resolved.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Robust long-range magnetic correlation across antiphase domain boundaries in Sr 2 CrReO 6

Here, we report a resonant elastic x-ray scattering study of a thin-film sample of Sr 2 CrReO 6 , which has one of the highest ferrimagnetic transition temperatures among ordered double perovskites.We found resonantly enhanced magnetic Bragg peaks at Q = (odd, odd, odd) at both the rhenium L 2 and L 3 edges, which coincide with the structural Bragg peaks of Sr 2 CrReO 6 . By analyzing the widths of these Bragg peaks, we extracted very different structural and magnetic correlation lengths. The former is about 15 nm, while the latter is constrained by the instrumental resolution to be at least 90 nm. We argue that a finite structural correlation length is consistent with the existence of antiphase nanodomains in our sample. On the other hand, a much larger magnetic correlation length indicates that the magnetic correlation extends far beyond the boundaries of individual domains and is consistent with strong antiferromagnetic coupling between different antiphase domains. Last, from the azimuthal dependence of the magnetic intensity, we show that the magnetic moments lie perpendicular to the c axis, which explains the earlier bulk magnetization data.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Yield From Iowa's First Commercial Miscanthus Fields: Implications of Spatial Variability for Productivity and Sustainability Beyond Research Plots

The cultivation of sterile giant miscanthus (Miscanthus × giganteus, M × g) for bioenergy and bioproducts has expanded into grain-cropped land in the United States (US) as local markets developed for this high-yielding perennial grass (10–30 Mg DM ha −1 ). However, the magnitude of spatial and temporal variability in yield within US Corn Belt fields, along with impacts on economic return and sustainable land management, is poorly understood. This study established a diagnostic model relating remote sensing-derived vegetation indices to ground truth data from 105 hand-harvested stem biomass samples, which were strategically selected to represent the full range of vegetation index observations. The high-resolution satellite-sensed vegetation indices captured > 90% of the yield variation measured within fields. This model was then used to predict yield variability and assess economic performance across four of the first commercial M × g fields in the Corn Belt state of Iowa, US. Significant spatial variability in biomass dry matter (DM) yields (9.3–18.1 Mg DM ha −1 ) and net profits ($\$$83 to $\$$1211.5 ha −1 ) was observed. All fields were profitable in all site-years. When low profit occurred, it was explained by limited management experience of the crop in Iowa. The breakeven yield at a selling price of $\$$130 Mg −1 varied from 9.0–12.1 Mg ha −1 at 15% moisture content (7.6–10.3 Mg DM ha −1 ). Breakeven prices ranged from $\$$73 to $\$$122.4 Mg −1 , matching ranges used in the Department of Energy Billion Ton Report (US Department of Energy, 2023). Notably, M × g yield and profits were commensurate with grain crops particularly with favorable precipitation. This study provides insight on the M × g management “learning curve”, performance on marginal land and in drought conditions, and demonstrates that addressing yield gaps, reducing costs, and implementing precision agriculture strategies can enhance profitability. These findings emphasize the value of remote sensing technologies in guiding sustainable and competitive commercial-scale M × g production.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Luminescence properties of lanthanide and ytterbium lanthanide titanate thin films grown by atomic layer deposition

Lanthanide based luminescent materials are highly suitable as down conversion materials in combination with a UV-absorbing host material. The authors have used TiO{sub 2} as the UV-absorbing host material and investigated the energy transfer between TiO{sub 2} and 11 different lanthanide ions, Ln{sup 3+} (Ln = La, Pr, Nd, Sm, Eu, Tb, Dy, Ho, Er, Tm, Yb) in thin films grown by atomic layer deposition. They have also investigated the possibility to improve the overall energy transfer from TiO{sub 2} to Yb{sup 3+} with a second Ln{sup 3+}, in order to enhance down conversion. The films were grown at a substrate temperature of 300 °C, using the Ln(thd){sub 3}/O{sub 3} (thd = 2,2,6,6-tetramethyl-3,5-heptanedione) and TiCl{sub 4}/H{sub 2}O precursor pairs. The focus of the work is to explore the energy transfer from TiO{sub 2} to Ln{sup 3+} ions, and the energy transfer between Ln{sup 3+} and Yb{sup 3+} ions, which could lead to efficient down conversion. The samples have been characterized by x-ray diffraction, x-ray fluorescence, spectroscopic ellipsometry, and photoluminescence. All films were amorphous as deposited, and the samples have been annealed at 600, 800, and 1000 °C in order to investigate the correlation between the crystallinity and luminescence. The lanthanum titanium oxide samples showed a weak and broad emission centered at 540 nm, which was absent in all the other samples, indicating energy transfer from TiO{sub 2} to Ln{sup 3+} in all other lanthanide samples. In the amorphous phase, all samples, apart from La, Tb, and Tm, showed a typical f-f emission when excited by a 325 nm HeCd laser. None of the samples showed any luminescence after annealing at 1000 °C due to the formation of Ln{sub 2}Ti{sub 2}O{sub 7}. Samples containing Nd, Sm, and Eu show a change in emission spectrum when annealed at 800 °C compared to the as-deposited samples, indicating that the smaller lanthanides crystallize in a different manner than the larger lanthanides. Energy transfer from Ln{sup 3+} to Yb{sup 3+} was observed neither in the amorphous or annealed samples. On the other hand, Yb{sup 3+} was found to be an efficient sensitizer for Ho{sup 3+}'s 1200 nm emission.

36 MATERIALS SCIENCE↗