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At least 991 records · Page 55

Nature of native atomic defects in ZrTe 5 and their impact on the low-energy electronic structure

Over the past decades, investigations of the anomalous low-energy electronic properties of ZrTe 5 have reached a wide array of conclusions. An open question is the growth method's impact on the stoichiometry of ZrTe 5 samples, especially given the very small density of states near its chemical potential. In this work, we report on high-resolution scanning tunneling microscopy and spectroscopy measurements performed on samples grown via different methods. Using density functional theory calculations, we identify the most prevalent types of atomic defects on the surface of ZrTe 5 , namely, Te vacancies and intercalated Zr atoms. Finally, we precisely quantify their density and outline their role as ionized defects in the anomalous resistivity of this material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Photoionization of seeded combustion products as a method of enhancing the efficiency of magnetohydrodynamic power generators

Here, in this study, we performed an experimental and computational investigation into the feasibility of utilizing photoionization to enhance the electrical conductivity of seeded oxy-fuel combustion products and improve the performance of magnetohydrodynamic (MHD) power generators. We applied a variety of optical and microwave diagnostics to study the ionization and recombination processes of potassium excited by an excimer laser in a high-velocity oxy-fuel free jet. Computational fluid dynamic (CFD) simulations were performed to model the thermophysical properties and species densities of the free jet. The CFD results were validated with position-dependent potassium concentration measurements. Electron recombination exponential lifetimes were measured through time-resolved microwave transmission. The experimental electron lifetimes were compared with lifetimes calculated from CFD-predicted species densities and literature recombination rates. It was determined that K + or O 2 are the most likely recombination partners for photoionized electrons. Time-resolved fluorescence measurements provided evidence of an ionization pathway involving a two-photon ionization of KOH . Finally, a zero-dimensional chemical kinetic model was developed to assess the fundamental viability of inducing a non-equilibrium electron population to provide a net energy return in combustion-driven MHD power generators. We determined that a high energy return is feasible for targeting electrode boundary layers with ultraviolet photoionization. We also found that photoionization could potentially lower the required temperature of the bulk gas flow.

20 FOSSIL-FUELED POWER PLANTS↗

Isolated Hot Stars in Galactic Center Vicinity

Using near-infrared imaging and spectroscopy, we discuss the discovery of six emission-line sources within approx. 20 pc of Sgr A West but outside of the central parsec. The objects are coincident with stars seen in. the J, H, and K' images; all have Br(gamma) (2.166 microns) in emission, several also have He I (2.058 and 2.112/3 micrometers), and some have He II (2.189 micrometers) emission lines. Comparison of the H- and K-band spectra of the newly discovered stars with recently published infrared spectral atlases of optically classified stars suggests that most of these stars are similar to massive stars in transition (e.g., Ofpe/WN9, B[e], and LBV), although one is definitely a WN6 star. Two of the potential stars are associated with the radio emission regions A-D near Sgr A East, three are near or within the radio emission regions Hl-H8, the last is near GO.10+0.02 and is likely to be associated with the GO.12+0.02 (Arches) cluster of stars, discussed in a previous paper. The stars are shown to be significant sources of ionization for their associated radio emission regions, with several capable of completely ionizing the regions. These results provide additional support for the idea that these thermal radio regions, and similar such regions in the Galactic center, are indeed photoionized by hot young stars.

Cotera, Angela S.↗

MHD Energy Bypass Scramjet Engine

Revolutionary rather than evolutionary changes in propulsion systems are most likely to decrease cost of space transportation and to provide a global range capability. Hypersonic air-breathing propulsion is a revolutionary propulsion system. The performance of scramjet engines can be improved by the AJAX energy management concept. A magneto-hydro-dynamics (MHD) generator controls the flow and extracts flow energy in the engine inlet and a MHD accelerator downstream of the combustor accelerates the nozzle flow. A progress report toward developing the MHD technology is presented herein. Recent theoretical efforts are reviewed and ongoing experimental efforts are discussed. The latter efforts also include an ongoing collaboration between NASA, the US Air Force Research Laboratory, US industry, and Russian scientific organizations. Two of the critical technologies, the ionization of the air and the MHD accelerator, are briefly discussed. Examples of limiting the combustor entrance Mach number to a low supersonic value with a MHD energy bypass scheme are presented, demonstrating an improvement in scramjet performance. The results for a simplified design of an aerospace plane show that the specific impulse of the MHD-bypass system is better than the non-MHD system and typical rocket over a narrow region of flight speeds and design parameters. Equilibrium ionization and non-equilibrium ionization are discussed. The thermodynamic condition of air at the entrance of the engine inlet determines the method of ionization. The required external power for non-equilibrium ionization is computed. There have been many experiments in which electrical power generation has successfully been achieved by magneto-hydrodynamic (MHD) means. However, relatively few experiments have been made to date for the reverse case of achieving gas acceleration by the MHD means. An experiment in a shock tunnel is described in which MHD acceleration is investigated experimentally. MHD has several potential aerospace applications. The first is to improve the performance of hypersonic air-breathing engines for space launch and cruise vehicles. The second is to improve the performance of a high enthalpy wind tunnel. The third is to control a hypersonic vehicle. With such applications in mind, theoretical and experiments are being conducted at the NASA Ames Research Center to develop the MHD technology.

Mehta, Unmeel B.↗

Radiation Effect on Human Tissue

Predicting the occurrence of human cancer following exposure of an epidemiologic population to any agent causing genetic damage is a difficult task. To an approximation, this is because the uncertainty of uniform exposure to the damaging agent, and the uncertainty of uniform processing of that damage within a complex set of biological variables, degrade the confidence of predicting the delayed expression of cancer as a relatively rare event within clinically normal individuals. This situation begs the need for alternate controlled experimental models that are predictive for the development of human cancer following exposures to agents causing genetic damage. Such models historically have not been of substantial proven value. It is more recently encouraging, however, that developments in molecular and cell biology have led to an expanded knowledge of human carcinogenesis, and of molecular markers associated with that process. It is therefore appropriate to consider new laboratory models developed to accomodate that expanded knowledge in order to assess the cancer risks associated with exposures to genotoxic agents. When ionizing radiation of space is the genotoxic agent, then a series of additional considerations for human cancer risk assessment must also be applied. These include the dose of radiation absorbed by tissue at different locations in the body, the quality of the absorbed radiation, the rate at which absorbed dose accumulates in tissue, the way in which absorbed dose is measured and calculated, and the alterations in incident radiation caused by shielding materials. It is clear that human cancer risk assessment for damage caused by ionizing radiation is a multidisciplinary responsibility, and that within this responsibility no single discipline can hold disproportionate sway if a risk assessment model of radiation-induced human cancer is to be developed that has proven value. Biomolecular and cellular markers from the work reported here are considered for use in assessing human cancer risk related to exposure to space radiation. This potential use must be integrated within the specified multidisciplinary context in order to create a new tool of molecular epidemiology that can hopefully then realistically assess this cancer risk.

Richmond, Robert C.↗

Development of a Computationally Efficient, High Fidelity, Finite Element Based Hall Thruster Model

This report documents the development of a two dimensional finite element based numerical model for efficient characterization of the Hall thruster plasma dynamics in the framework of multi-fluid model. Effect of the ionization and the recombination has been included in the present model. Based on the experimental data, a third order polynomial in electron temperature is used to calculate the ionization rate. The neutral dynamics is included only through the neutral continuity equation in the presence of a uniform neutral flow. The electrons are modeled as magnetized and hot, whereas ions are assumed magnetized and cold. The dynamics of Hall thruster is also investigated in the presence of plasma-wall interaction. The plasma-wall interaction is a function of wall potential, which in turn is determined by the secondary electron emission and sputtering yield. The effect of secondary electron emission and sputter yield has been considered simultaneously, Simulation results are interpreted in the light of experimental observations and available numerical solutions in the literature.

Jacobson, David↗

Multiplexing Transducers Based on Tunnel-Diode Oscillators

Multiplexing and differential transducers based on tunnel-diode oscillators (TDOs) would be developed, according to a proposal, for operation at very low and/or widely varying temperatures in applications that involve requirements to minimize the power and mass of transducer electronic circuitry. It has been known since 1975 that TDOs are useful for making high-resolution (of the order of 10(exp -9)) measurements at low temperatures. Since that time, TDO transducers have been found to offer the following additional advantages, which the present proposal is intended to exploit: TDO transducers can operate at temperatures ranging from 1 K to about 400 K. Most electronic components other than tunnel diodes do not operate over such a wide temperature range. TDO transducers can be made to operate at very low power - typically, <1 mW. Inasmuch as the response of a TDO transducer is a small change in an arbitrarily set oscillation frequency, the outputs of many TDOs operating at sufficiently different set frequencies can be multiplexed through a single wire. Inasmuch as frequencies can be easily subtracted by means of mixing circuitry, one can easily use two TDOs to make differential measurements. Differential measurements are generally more precise and less susceptible to environmental variations than are absolute measurements. TDO transducers are tolerant to ionizing radiation. Ultimately, the response of a TDO transducer is measured by use of a frequency counter. Because frequency counting can be easily implemented by use of clock signals available from most microprocessors, it is not necessary to incorporate additional readout circuitry that would, if included, add to the mass and power consumption of the transducer circuitry. In one example of many potential variations on the basic theme of the proposal, the figure schematically depicts a conceptual differential-pressure transducer containing a symmetrical pair of TDOs. The differential pressure would be exerted on an electrically conductive and grounded diaphragm, which, at zero differential pressure, would nominally be sprung to a middle position between two capacitor plates that would be parts of the two TDOs. The frequencies of the two TDOs would vary in opposite directions as variations in differential pressure bent the diaphragm away from one capacitor plate and toward the other. The outputs of the TDOs would be mixed and lowpass filtered to obtain a signal at the difference between the frequencies of the two TDOs. The difference frequency would be measured by a frequency counter and converted to differential pressure by a computer.

Chui, Talso↗

New Magnetohydrodynamic (MHD) Lift Concept for More Efficient Missions to Mars and Neptune

The potential for using an applied magnetic field to augment the aerodynamic lift and drag of a hypersonic vehicle entering Neptune or Mars was studied. The study was conducted to assess whether magnetohydrodynamics (MHD)could boost aerodynamic lift and/or drag for aerocapture of a spacecraft into planetary orbit. MHD seemed well suited to create Lorentz forces during aerocapture when the flow is most ionized and conductive. Neptune and Mars were selected since larger payloads and faster trip times to each planet may substantially increase scientific and exploration opportunities. The results of the systems analysis presented herein suggest that a single MHD effector located off-centerline creates steering forces equaling whole-body aerodynamic forces and suggests a ground-breaking opportunity for new mission classes. The magnetic field required to produce these large forces is around 1 Tesla (T) having a mass roughly the same amount as the ballast used for recent Mars lander missions.

Aerocapture↗

Coupling of Charge Regulation and Geometry in Soft Ionizable Molecular Assemblies

The size, shape, and charge of structures, such as proteins and amphiphile assemblies, respond in an interconnected manner to solution ionic conditions. Here, we analyze assemblies of an amphiphile (C 16 K 2 ), with two ionizable amino acids [lysine (K)] coupled to a 16-carbon alkyl tail, via small-angle X-ray scattering (SAXS), nonlinear Poisson–Boltzmann theory (nl-PB), and hybrid Monte Carlo-molecular dynamics (MC-MD) simulations. SAXS revealed structural transitions from spherical micelles to cylindrical micelles to bilayers with increasing pH. By combining SAXS-determined structural information and nl-PB, we derived the molecular degree of ionization as a function of pH. The back-calculated titration curves matched the experimental data over an extended pH range, without adjustable parameters. Similarly, the SAXS data on the evolution of spherical micelle structure with ionic strength were combined with nl-PB and MC-MD to derive the bare and effective charges. MC-MD, which considered finite ion sizes, showed that bare and effective charges saturate quickly with increasing salt concentration. Furthermore, the calculated effective charges closely matched results from Zeta-potential measurements. The presented approach has advantages over customary methods for charge regulation, such as the Henderson–Hasselbalch (HH) or Hill models, where molecular ionization/deionization in assemblies is described by effective pKs that are distinct from the pK for isolated molecules. However, these models lack a physical explanation for these pK shifts. By contrast, our approach of combining structural details with an electrostatic model and simulations provides a more intuitive understanding of structure-charge coupling and a framework for understanding charge regulation in many synthetic and biological systems.

ionization↗

Numerical simulation of Li-pellet injection experiments for ELM-pacing in EAST

The injection of light impurity granules into fusion research discharges has shown a great potential for ELM pacing in future nuclear devices. The present work employed a model considering both pellet ablation and transport to systematically study for the first time the evolution of both impurity Li species and target plasma in the edge plasma during single and repeated Li pellet injections, with all initial information extracted from the EAST experiments. The evolutionary distributions of atomic and ionized Li species were presented and show good consistency with experimental CCD camera images. Simulation studies were carried out for single and repeated pellet injections at the outer mid-plane, and statistical uncertainty of ELM pacing rates triggering ELMs is discussed with regard to related injection conditions. It is found that the pressure locally caused by an ELM pacing pellet (with a diameter of 0.6 ~ 0.7 mm) was 1.8–2.4 times its unperturbed magnitude in the EAST shots of interest. Accumulation from repeated pellet injections results in the rise of pedestal height at a high injection frequency and this effect becomes stronger with increasing pellet size. Pressure changes are also evident in a scenario of multiple small pellets per stroke, which could lead to a nonnegligible, probabilistic ELM triggering rate observed experimentally. The effects of other possible factors are also discussed. With the assumption that the ELM trigger rate of a Li pellet of 0.7 mm diameter is 100%, the predicted trigger rates are in good agreement with those observed in experiments. This work can help understand the statistically probabilistic behavior of ELM triggering efficiency observed in previous studies.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

New Total-Ionizing-Dose Resistant Data Storing Technique for NAND Flash Memory

This paper describes a new non-charge-based data storing technique in NAND flash memory called watermark that encodes read-only data in the form of physical properties of flash memory cells. Unlike traditional charge-based data storing method in flash memory, the proposed technique is resistant to total ionizing dose (TID) effects. To evaluate its resistance to irradiation effects, we analyze data stored in several commercial single-level-cell (SLC) flash memory chips from different vendors and technology nodes. These chips are irradiated using a Co-60 gamma-ray source array for up to 100 krad(Si) at Sandia National Laboratories. Experimental evaluation performed on a flash chip from Samsung shows that the intrinsic bit error rate (BER) of watermark increases from 0.8% for TID = 0 krad(Si) to 1% for TID = 100 krad(Si). Conversely, the BER of charge-based data stored on the same chip increases from 0% at TID = 0 krad(Si) to 1.5% at TID = 100 krad(Si). Overall, the results imply that the proposed technique may potentially offer significant improvements in data integrity relative to traditional charge-based data storage for very high radiation (TID > 100 krad(Si)) environments. These gains in data integrity relative to the charge-based data storage are useful in radiation-prone environments, but they come at the cost of increased write times and higher BERs before irradiation.

36 MATERIALS SCIENCE↗

Single-Particle Isotopic Analysis Using the Liquid Sampling-Atmospheric Pressure Glow Discharge Microplasma Coupled to an Orbitrap Mass Spectrometer

Isotope ratio (IR) determinations on individual particles can provide valuable information relative to the sample, including processing and dating, which could be valuable to geological and nuclear material analysis communities. In comparison to “bulk” measurements, in which all particle information is lost and homogenized within a sample, “particle” measurements allow for fingerprinting and can provide unique insights related to the sample’s nano- and micro- compositions. Furthermore, the complex nature of particles, with potential isobaric interferences from either the matrix or other elements within the same particle, poses a significant analytical challenge for conventional mass spectrometry platforms employed for elemental analysis due to their limited mass resolution. Presented here is the first demonstration of an ultrahigh resolution method for single particle (SP) isotopic analysis using the liquid sampling-atmospheric pressure glow discharge (LS-APGD) microplasma ionization source coupled to an Orbitrap mass spectrometer and FTMS Booster X2T acquisition/processing system. For proof of concept, well-characterized CeO 2 microparticles with a nominal diameter of 1.0 μm were analyzed at a mass resolution of ∼330,000. Important instrumental parameters were optimized to enable the detection of single particles. The 142 Ce/ 140 Ce ratio of individual particles and the population average were determined and compared to an SP inductively coupled plasma time-of-flight mass spectrometry (ICP-TOF-MS) analysis. The isotopic accuracy and precision were determined by two methods and found to be in good agreement with the SP-ICP-TOF-MS method, with the linear regression slope method providing a more accurate ratio, showing a ∼1.4% relative difference from the ratio determined from a particle digest. The encouraging performance of the method was further supported by a determined detection limit of 2.9 fg ( 142 Ce). The developed method is anticipated to overcome many of the challenges posed by isobaric interferences encountered in conventional mass spectrometry techniques when analyzing real-world samples for particle isotopic composition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Physical conditions in the cool parts of prominences. II - The Mg triplet lines

The statistical equilibrium of Mg under prominence conditions is considered. It is shown that the principal lines of the triplet system can serve as an equivalent to the Na D lines for spectral diagnostic purposes. Like the Na D lines, these Mg lines are relatively easy to measure in prominences and exhibit small optical depths. It is demonstrated that potential complications due to possible radiative transfer effects in the Mg resonance transition (3 1S0 - 3 1P1) have little consequence for the triplet populations. The results are used to repeat the spectral analysis of Landman (1983) using the Mg multiplets in place of the Na ones. The results of the two analyses are in general agreement. The finding of a low degree of H ionization in the cool prominence regions and a correspondingly high gas pressure is confirmed.

Landman, D. A.↗

Gas chromatography: Possible application of advanced instrumentation developed for solar system exploration to space station cabin atmospheres

Gas chromatography (GC) technology was developed for flight experiments in solar system exploration. The GC is a powerful analytical technique with simple devices separating individual components from complex mixtures to make very sensitive quantitative and qualitative measurements. It monitors samples containing mixtures of fixed gases and volatile organic molecules. The GC was used on the Viking mission in support of life detection experiments and on the Pioneer Venus Large Probe to determine the composition of the venusian atmosphere. A flight GC is under development to study the progress and extent of STS astronaut denitrogenation prior to extravehicular activity. Advanced flight GC concepts and systems for future solar system exploration are also studied. Studies include miniature ionization detectors and associated control systems capable of detecting from ppb up to 100% concentration levels. Further miniaturization is investigated using photolithography and controlled chemical etching in silicon wafers. Novel concepts such as ion mobility drift spectroscopy and multiplex gas chromatography are also developed for future flight experiments. These powerful analytical concepts and associated hardware are ideal for the monitoring of cabin atmospheres containing potentially dangerous volatile compounds.

Carle, G. C.↗

The Unidentified Infrared Emission Bands: Identified

The so-called Unidentified Infrared or simply UIR bands, the infrared emission band spectrum associated with a wide variety of interstellar objects, can be modeled in detail by laboratory spectra of neutral and positively charged polycyclic aromatic hydrocarbon (PAH) mixtures. Fits are presented for the UIR emission from the protoplanetary nebula IRAS 22272+5435, the diffuse galactic medium, and the Orion HII/photodissociation front - a selection of objects which span the evolutionary range of interstellar material. These data directly address the spectroscopic criticisms previously leveled at the PAH hypothesis and demonstrate that PAH-related molecular species are indeed responsible for this widespread emission. Furthermore, these fits reflect the structure, abundance, and ionization state of the interstellar PAHs and, in turn, provide direct insight into the processes of carbon nucleation, growth and evolution in circumstellar shells and the interstellar medium. To date, no other candidate material which has been proposed to account for the UIR emission can as readily and specifically reproduce these spectral variations. Given the ubiquity of these species, this work demonstrates the tremendous potential of these species as probes of a new and heretofore largely unexplored facet of astrochemistry - potential which should make PAHs the probe of the next millennium much as CO has been for the last quarter century.

Hudgins, Douglas M.↗

Low-temperature breakdown of many-body perturbation theory for thermodynamics

It is shown analytically and numerically that the finite-temperature many-body perturbation theory in the grand canonical ensemble has zero radius of convergence at zero temperature when the energy ordering or degree of degeneracy for the ground state changes with the perturbation strength. When the degeneracy of the reference state is partially or fully lifted at the first-order Hirschfelder-Certain degenerate perturbation theory, the grand potential and internal energy diverge as T → 0. Contrary to earlier suggestions of renormalizability by the chemical potential μ, this nonconvergence, first suspected by W. Kohn and J. M. Luttinger, is caused by the nonanalytic nature of the Boltzmann factor e –E/k e T at T = 0, also plaguing the canonical ensemble, which does not involve chemical potential. The finding reveals a fundamental flaw in perturbation theory, which is deeply rooted in the mathematical limitation of power-series expansions and is unlikely to be removed within its framework.

74 ATOMIC AND MOLECULAR PHYSICS↗

Selective sulfur removal from semi-dry flue gas desulfurization coal fly ash for concrete and carbon dioxide capture applications

High-sulfur mixed fly ash residues from semi-dry flue gas desulfurization units in coal-fired power plants are unsuitable for use as supplementary cementitious material (SCM) for concrete production or carbon dioxide utilization. In this work, we explore the potential for upcycling a representative spray dry absorber ash (10.44 wt% SO 3 ) into concrete-SCM by selective sulfur removal via weak acid dissolution while simultaneously exploring the possibility for CO 2 capture. Towards this effort, parametric studies varying liquid-to-solid ratio, acidity, and CO 2 pressure were conducted in a batch reactor to establish the sulfur removal characteristics in de-ionized water, nitric acid, and carbonic acid, respectively. The dissolution studies show that the leaching of sulfur from calcium sulfite hemihydrate, which is the predominant S phase, is rapid and achieves a concentration plateau within 5 min, and subsequently, appears to be controlled by the primary mineral solubility. Here, preferential S removal was sufficient to meet SCM standards (e.g., 5.0 wt% as per ASTM C618) using all three washing solutions with 0.62–0.72 selectivity (S^), defined as the molar ratio of S to Ca in the leachate, for a raw fly ash with bulk S^ = 0.3. Acid dissolution with 1.43 meq/g of ash or under 5 atm CO 2 retained > 18 wt% CaO and other Si-, Al-rich phases in the fly ash. Based on the experimental findings, two sulfur removal schemes were suggested for either integration with CO 2 capture and utilization processes using flue gas or to produce fly ash for use as a SCM.

01 COAL, LIGNITE, AND PEAT↗

Detailed Characterization of Vitrinite-Rich Subbituminous and Bituminous Coals for Utilization in Carbon Fiber Precursor Production

Chemical structures of candidate coals (one subbituminous coal from the Powder River Basin and three bituminous Eastern US coals) were examined for potential low-cost carbon fiber precursor production. Here, the structural evaluation examined the carbon skeleton ( 13 C nuclear magnetic resonance (NMR) and high-resolution transmission electron microscopy (HRTEM)), the heteroatom functionality (X-ray photoelectron spectroscopy (XPS) Fourier transform infrared spectroscopy (FTIR) and NMR), the structural ordering and distribution of PAH sizes (HRTEM), and an estimation of the molecular weight distribution (laser desorption ionization mass spectrometry, LDIMS). The molecular compositional distributions were also evaluated for a mixed solvent extract (atmospheric pressure photoionization, 21 T Fourier transform ion cyclotron resonance mass spectrometry, FT-ICR MS). Significant structural differences existed between the subbituminous and bituminous coals, as expected with coalification (with the bituminous coals having a higher carbon content, lower oxygen content, higher aromaticity values, larger cluster sizes, and so forth). While the bituminous coals were similar in structure (close in rank with Blue Gem being hvAb and the rest being hvBb), structural differences were still evident. Specifically, structural similarities were evident for the average properties of Herrin and Springfield coals: same rank, similar moisture, and volatile matter yields, along with similar aromaticity and carbon and hydrogen content. However, significant structural differences were observed at the molecular level by 21 T FT-ICR MS, which showed that the Springfield coal was structurally more complex. Specifically, 21740, 16931, 30190, and 12982 unique elemental compositions were identified for the Monarch, Herrin, Springfield, and Blue Gem coals, further illustrating the complexity of the coal.

01 COAL, LIGNITE, AND PEAT↗