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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 577 records · Page 32

From square-well to Janus: Improved algorithm for integral equation theory and comparison with thermodynamic perturbation theory within the Kern-Frenkel model

Building upon past work on the phase diagram of Janus fluids [F. Sciortino, A. Giacometti, and G. Pastore, Phys. Rev. Lett. 103, 237801 (2009)], we perform a detailed study of integral equation theory of the Kern-Frenkel potential with coverage that is tuned from the isotropic square-well fluid to the Janus limit. An improved algorithm for the reference hypernetted-chain (RHNC) equation for this problem is implemented that significantly extends the range of applicability of RHNC. Results for both structure and thermodynamics are presented and compared with numerical simulations. Unlike previous attempts, this algorithm is shown to be stable down to the Janus limit, thus paving the way for analyzing the frustration mechanism characteristic of the gas-liquid transition in the Janus system. The results are also compared with Barker-Henderson thermodynamic perturbation theory on the same model. We then discuss the pros and cons of both approaches within a unified treatment. On balance, RHNC integral equation theory, even with an isotropic hard-sphere reference system, is found to be a good compromise between accuracy of the results, computational effort, and uniform quality to tackle self-assembly processes in patchy colloids of complex nature. Further improvement in RHNC however clearly requires an anisotropic reference bridge function.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Status of the Majorana Demonstrator experiment

The Majorana Demonstrator neutrinoless double beta-decay experiment is currently under construction at the Sanford Underground Research Facility in South Dakota, USA. An overview and status of the experiment are given.

Martin, R.D.↗

A novel experimental approach to investigate radiolysis processes in liquid samples using collimated radiation sources

Here is detailed a novel and low-cost experimental method for high-throughput automated fluid sample irradiation. The sample is delivered via syringe pump to a nozzle, where it is expressed in the form of a hanging droplet into the path of a beam of ionising radiation. The dose delivery is controlled by an upstream lead shutter, which allows the beam to reach the droplet for a user defined period of time. The droplet is then further expressed after irradiation until it falls into one well of a standard microplate. The entire system is automated and can be operated remotely using software designed in-house, allowing for use in environments deemed unsafe for the user (synchrotron beamlines, for example). Depending on the number of wells in the microplate, several droplets can be irradiated before any human interaction is necessary, and the user may choose up to 10 samples per microplate using an array of identical syringe pumps, the design of which is described here. The nozzles consistently produce droplets of 25.1 ± 0.5 μl.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Research Update: Atmospheric pressure spatial atomic layer deposition of ZnO thin films: Reactors, doping, and devices

Atmospheric pressure spatial atomic layer deposition (AP-SALD) has recently emerged as an appealing technique for rapidly producing high quality oxides. Here, we focus on the use of AP-SALD to deposit functional ZnO thin films, particularly on the reactors used, the film properties, and the dopants that have been studied. We highlight how these films are advantageous for the performance of solar cells, organometal halide perovskite light emitting diodes, and thin-film transistors. Future AP-SALD technology will enable the commercial processing of thin films over large areas on a sheet-to-sheet and roll-to-roll basis, with new reactor designs emerging for flexible plastic and paper electronics.

36 MATERIALS SCIENCE↗

Oxide 2D electron gases as a route for high carrier densities on (001) Si

Two dimensional electron gases (2DEGs) formed at the interfaces of oxide heterostructures draw considerable interest owing to their unique physics and potential applications. Growing such heterostructures on conventional semiconductors has the potential to integrate their functionality with semiconductor device technology. We demonstrate 2DEGs on a conventional semiconductor by growing GdTiO{sub 3}-SrTiO{sub 3} on silicon. Structural analysis confirms the epitaxial growth of heterostructures with abrupt interfaces and a high degree of crystallinity. Transport measurements show the conduction to be an interface effect, ∼9 × 10{sup 13} cm{sup −2} electrons per interface. Good agreement is demonstrated between the electronic behavior of structures grown on Si and on an oxide substrate, validating the robustness of this approach to bridge between lab-scale samples to a scalable, technologically relevant materials system.

36 MATERIALS SCIENCE↗

Electronic transport of titanate heterostructures and their potential as channels on (001) Si

Perovskite oxides and their heterostructures have demonstrated considerable potential for devices that require high carrier densities. These oxides are typically grown on ceramic substrates that suffer from low thermal conductivity, which limits performance under high currents, and from the limited size of substrates, which precludes large scale integration and processing. We address both of these hurdles by integrating oxide heterostructures with high carrier density 2D electron gases (2DEGs) directly on (001) Si. 2DEGs grown on Si show significant improvement of the high current performance over those grown on oxide substrates, a consequence of the higher thermal conductivity of the substrate. Hall analysis, transmission line measurements, and the conductance technique are employed for a detailed analysis of the carrier density, contact resistance, mobility, and electron drift velocities. Current densities of 10 A/cm are observed at room temperature with 2.9 × 10{sup 14} electrons/cm{sup 2} at a drift velocity exceeding 3.5 × 10{sup 5 }cm/s. These results highlight the promise of oxide 2DEGs integration on Si as channels for high electron density devices.

36 MATERIALS SCIENCE↗

Variation of the external quantum efficiency with temperature and current density in red, blue, and deep ultraviolet light-emitting diodes

The temperature-dependent external quantum efficiencies (EQEs) were investigated for a 620 nm AlGaInP red light-emitting diodes (LEDs), a 450 nm GaInN blue LED, and a 285 nm AlGaN deep-ultraviolet (DUV) LED. We observed distinct differences in the variation of the EQE with temperature and current density for the three types of LEDs. Whereas the EQE of the AlGaInP red LED increases as temperature decreases below room temperature, the EQEs of GaInN blue and AlGaN DUV LEDs decrease for the same change in temperature in a low-current density regime. The free carrier concentration, as determined from the dopant ionization energy, shows a strong material-system-specific dependence, leading to different degrees of asymmetry in carrier concentration for the three types of LEDs. We attribute the EQE variation of the red, blue, and DUV LEDs to the different degrees of asymmetry in carrier concentration, which can be exacerbated at cryogenic temperatures. As for the EQE variation with temperature in a high-current density regime, the efficiency droop for the AlGaInP red and GaInN blue LEDs becomes more apparent as temperature decreases, due to the deterioration of the asymmetry in carrier concentration. However, the EQE of the AlGaN DUV LED initially decreases, then reaches an EQE minimum point, and then increases again due to the field-ionization of acceptors by the Poole-Frenkel effect. The results elucidate that carrier transport phenomena allow for the understanding of the droop phenomenon across different material systems, temperatures, and current densities.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Energy bandgap variation in oblique angle-deposited indium tin oxide

Indium tin oxide (ITO) thin films deposited using the oblique angle deposition (OAD) technique exhibit a strong correlation between structural and optical properties, especially the optical bandgap energy. The microstructural properties of ITO thin films are strongly influenced by the tilt angle used during the OAD process. When changing the tilt angle, the refractive index, porosity, and optical bandgap energy of ITO films also change due to the existence of a preferential growth direction at the interface between ITO and the substrate. Experiments reveal that the ITO film's optical bandgap varies from 3.98 eV (at normal incident deposition) to 3.87 eV (at a 60° tilt angle)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

FIP effect for minor heavy solar wind ions as seen with SOHO/CELIAS/MTOF

A recent paper [Shearer et al., 2014] reported that during solar maximum Ne showed a surprisingly low abundance. This leads to the question whether other elements show the same behavior. The good mass resolution of Mass-Time-Of-Flight (MTOF) as part of the Charge ELement and Isotope Analysis System (CELIAS) on the Solar Helioshperic Observatory (SOHO) allows to investigate the composition of heavy minor elements in different types of solar wind. We restrict this study to slow solar wind, where the characterisation of slow solar wind is taken from Xu and Borovsky, 2014. This classification scheme requires magnet field information. Since SOHO does not carry a magnetometer, we use the Magnetometer (MAG) of the Advanced Composition Explorer (ACE) instead. The Solar Wind Ion Composition Spectrometer (ACE/SWICS) also provides composition data for cross-calibration and charge-state distributions as input for the transmission function of MTOF whenever the two spacecraft can be expected to observe the same type of wind. We illustrate the MTOF’s capability to determine the solar wind abundance compared to the photospheric abundance (called the FIP ratio in the following) for rare elements like Ti or Cr on long-time scales as a proof of concept for our analysis. And in this brief study, measurements with both ACE/SWICS indicate that the observed elements exhibit a (weak) dependence on the solar cycle, whereas the MTOF measurements are inconclusive.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

FPGA based demodulation of laser induced fluorescence in plasmas

We present a field programmable gate array (FPGA)-based system that counts photons from laser-induced fluorescence (LIF) on a laboratory plasma. This is accomplished with FPGA-based up/down counters that demodulate the data, giving a background-subtracted LIF signal stream that is updated with a new point as each laser amplitude modulation cycle completes. We demonstrate using the FPGA to modulate a laser at 1 MHz and demodulate the resulting LIF data stream. Finally, this data stream is used to calculate an LIF-based measurement sampled at 1 MHz of a plasma ion fluctuation spectrum.

47 OTHER INSTRUMENTATION↗

Velocity space degrees of freedom of plasma fluctuations

We present the first measurements of a plasma velocity-space cross-correlation matrix. A singular value decomposition is applied to this inherently Hermitian matrix, and the relation between the eigenmodes and the plasma kinetic fluctuation modes is explored. A generalized wave admittance is introduced for these eigenmodes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Characterization of strain and its effects on ferromagnetic nickel nanocubes

We report on the interplay of magnetic properties and intrinsic strain in ferromagnetic nickel nanocubes with cubic anisotropy. Via coherent x-ray diffraction imaging we observed compressive stress at the bottom surface of these cubes. The nanocubes with {100} facets described and imaged in this study were synthesized using a single-step CVD process. Micromagnetic simulations predict the presence of vortices at remanence in the absence of strain. The effects of strain resulting from the compressive stress on the magnetic response of the ferromagnetic cubes is investigated. We observe that measured intrinsic strain is too low to change the magnetic anisotropy of ferromagnetic cubes but topological behavior of magnetic vortices is sensitive to even this low range of strain.

36 MATERIALS SCIENCE↗

Watching a signaling protein function: What has been learned over four decades of time-resolved studies of photoactive yellow protein

Photoactive yellow protein (PYP) is a signaling protein whose internal p-coumaric acid chromophore undergoes reversible, light-induced trans-to-cis isomerization, which triggers a sequence of structural changes that ultimately lead to a signaling state. Since its discovery nearly 40 years ago, PYP has attracted much interest and has become one of the most extensively studied proteins found in nature. The method of time-resolved crystallography, pioneered by Keith Moffat, has successfully characterized intermediates in the PYP photocycle at near atomic resolution over 12 decades of time down to the sub-picosecond time scale, allowing one to stitch together a movie and literally watch a protein as it functions. But how close to reality is this movie? To address this question, results from numerous complementary time-resolved techniques including x-ray crystallography, x-ray scattering, and spectroscopy are discussed. Emerging from spectroscopic studies is a general consensus that three time constants are required to model the excited state relaxation, with a highly strained ground-state cis intermediate formed in less than 2.4 ps. Persistent strain drives the sequence of structural transitions that ultimately produce the signaling state. Crystal packing forces produce a restoring force that slows somewhat the rates of interconversion between the intermediates. Moreover, the solvent composition surrounding PYP can influence the number and structures of intermediates as well as the rates at which they interconvert. When chloride is present, the PYP photocycle in a crystal closely tracks that in solution, which suggests the epic movie of the PYP photocycle is indeed based in reality.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

CSP Plant Construction, Start-Up, and O&M Best Practices Study

There are currently 90 operational CSP plants of 10 MW or larger located throughout the world, primarily in Spain, U.S., MENA region, South Africa, and China. In 2018, the U.S. Department of Energy (DOE) funded Solar Dynamics, under subcontract to NREL, to investigate and document lessons learned and best practices associated with the construction, start-up, and operations phases of a majority of these plants. DOE funding for the effort was leveraged by additional funds provided through SolarPACES and the World Bank. This information was obtained by interviewing key stakeholders representing CSP plant owners, operators, construction companies, vendors, technical advisors and financers of these systems, and will be published as an NREL Technical Report at the completion of the project. This paper provides an overview of key challenges facing today's CSP parabolic trough and power tower technologies during all the phases mentioned above.

41 EE - Solar Energy Technologies Office (EE-4S)↗

Application of motional Stark effect in situ background correction to a superconducting tokamak

A polychrometer-type motional Stark effect (MSE) diagnostic technique, originally developed for the Alcator C-Mod tokamak, has been extended and applied to the Korea Superconducting Advanced Tokamak Research (KSTAR) device, the long-pulse superconducting tokamak, for the first time. It demonstrates a successful in situ subtraction of the polarized reflections off the vacuum vessel wall, sometimes up to half the total signal in some sightlines. To avoid the secondary neutral beam emission that may contaminate conventional beam-into-gas calibrations, a new approach, where the beam-into-gas measurements are made at various torus pressures with fixed vacuum fields, has been devised, which is possible with the stable superconducting coil systems of KSTAR. The validity of this new calibration scheme has been checked via plasma jog experiments. The experimental evidence of the polarized background light and the necessity of its correction in the MSE measurements made in KSTAR are presented as well.

47 OTHER INSTRUMENTATION↗

Spatially resolved measurements of plasma ion velocity distributions in a dipole magnetic field

The equilibrium flows of a plasma discharge in a dipole magnetic field are a topic of interest in low temperature plasma physics. Experimentalists typically rely on probe-based and line-integrated diagnostic techniques in these environments to describe plasma behavior. Presented here are measurements of argon ion dynamics with laser induced fluorescence techniques to provide insight into plasma dynamics in dipole magnetic fields with nonperturbative, spatially localized measurements. Simulation results from a Lagrangian approach to track particle orbits are compared to measured density profiles and provide evidence to support the mechanism distinguishing experimental configurations is the initial approach of particles. Applying a negative DC bias to the magnet induces strong E×B flows around the magnet, even exceeding the ion acoustic speed as measured far from the magnet. A strong enough bias also produces two distinct ion populations and provides a method for controlling the density gradient on the equator.

McLaughlin, Jacob W. (ORCID:0000000152661888)↗

Development of known-fate survival monitoring techniques for juvenile wild pigs (Sus scrofa)

ContextWild pigs are an invasive species linked to numerous negative impacts on natural and anthropogenic ecosystems in many regions of the world. Robust estimates of juvenile wild pig survival are needed to improve population dynamics models to facilitate management of this economically and ecologically important invasive species. Despite this critical knowledge gap, to date no successful known-fate study of wild piglet survival (<5 months of age) has been conducted, due to a lack of appropriate method for this species.AimsTo aid in locating and tagging neonates, we piloted the use of vaginal implant transmitters (VITs) in adult wild pigs and evaluated average retention times of stud ear-tag transmitters, clip ear-tag transmitters, sutured and epoxied transmitters, harness transmitters, and surgically implanted transmitters to monitor known-fate survival of piglets.MethodsWe captured pregnant female pigs and implanted them with VITs. We tagged subsequently located neonates and piglets captured in traps with the aforementioned transmitters and monitored them to determine retention times and feasibility of each method.Key resultsVITs were effectively used to determine the location and time of wild pig parturition, allowing counting and tagging of neonate wild pigs. Stud ear-tag and abdominal implant transmitters were well retained by piglets weighing ≥3kg, in contrast to the other tested transmitters.ConclusionsStud ear-tag and abdominal implant transmitters allowed known-fate monitoring of juvenile wild pigs, although, of these, stud ear-tag transmitters may be more practical as they do not require field surgery on piglets. Due to their relatively large size, the stud ear tag transmitters were infeasible for monitoring of true neonates (~1kg); however, this application method may be suitable for neonates upon development of lighter-weight transmitters. The other transmitter attachment methods we tested were ineffective for monitoring of piglet survival, due to poor retention of transmitters.ImplicationsThe techniques piloted in this study will facilitate research into the reproductive ecology of wild pigs and known-fate studies of piglet mortality to aid in population modelling and evaluation of cause-specific mortality and factors affecting survival of these often-invasive animals.

Environmental Sciences & Ecology↗

Top-down proteomics reveals a unique protein S-thiolation switch in Salmonella Typimurium in response to infection-like conditions

Characterization of the mature protein complement in cells is crucial for a better understanding of cellular processes on a systems-wide scale. Bottom-up proteomic approaches often lead to loss of critical information about an endogenous protein’s actual state due to post translational modifications (PTMs) and other processes. Top-down approaches that involve analysis of the intact protein can address this concern but present significant analytical challenges related to the separation quality needed, measurement sensitivity, and speed that result in low throughput and limited coverage. Here we used single-dimension ultra high pressure liquid chromatography mass spectrometry to investigate the comprehensive ‘intact’ proteome of the Gram negative bacterial pathogen Salmonella Typhimurium. Top-down proteomics analysis revealed 563 unique proteins including 1665 proteoforms generated by PTMs, representing the largest microbial top-down dataset reported to date. Our analysis not only confirmed several previously recognized aspects of Salmonella biology and bacterial PTMs in general, but also revealed several novel biological insights. Of particular interest was differential utilization of the protein S-thiolation forms S-glutathionylation and S-cysteinylation in response to infection-like conditions versus basal conditions, which was corroborated by changes in corresponding biosynthetic pathways. This differential utilization highlights underlying metabolic mechanisms that modulate changes in cellular signaling, and represents to our knowledge the first report of S-cysteinylation in Gram negative bacteria. The demonstrated utility of our simple proteome-wide intact protein level measurement strategy for gaining biological insight should promote broader adoption and applications of top-down proteomics approaches.

Environmental Molecular Sciences Laboratory↗