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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 163 records · Page 9

Time-Resolved Stochastic Dynamics of Quantum Thermal Machines

Steady-state quantum thermal machines are typically characterized by a continuous flow of heat between different reservoirs. However, at the level of discrete stochastic realizations, heat flow is unraveled as a series of abrupt quantum jumps, each representing an exchange of finite quanta with the environment. Here, in this work, we present a framework that resolves the dynamics of quantum thermal machines into cycles classified as enginelike, coolinglike, or idle. We analyze the statistics of individual cycle types and their durations, enabling us to determine both the fraction of cycles useful for thermodynamic tasks and the average waiting time between cycles of a given type. Central to our analysis is the notion of intermittency, which captures the operational consistency of the machine by assessing the frequency and distribution of idle cycles. Our framework offers a novel approach to characterizing thermal machines, with significant relevance to experiments involving mesoscopic transport through quantum dots.

full counting statistics↗

Typical motions in multiple systems

In very old times, people counted - one, two, many. The author wants to show that they were right. Consider the motions of isolated bodies: (1) N = 1 - simple motion; (2) N = 2 - Keplerian orbits; and (3) N = 3 - this is the difficult problem. In general, this problem can be studied only by computer simulations. The author studied this problem over many years (see, e.g., Agekian and Anosova, 1967; Anosova, 1986, 1989 a,b). The principal result is that two basic types of dynamics take place in triple systems. The first special type is the stable hierarchical systems with two almost Keplerian orbits. The second general type is the unstable triple systems with complicated motions of the bodies. By random choice of the initial conditions, by the Monte-Carlo method, the stable systems comprised about approx. 10% of the examined cases; the unstable systems comprised the other approx. 90% of cases under consideration. In N greater than 3, the studies of dynamics of such systems by computer simulations show that we have in general also the motions roughly as at the cases 1 - 3 with the relative negative or positive energies of the bodies. In the author's picture, the typical trajectories of the bodies in unstable triple systems of the general type of dynamics are seen. Such systems are disrupted always after close triple approaches of the bodies. These approaches play a role like the gravitational slingshot. Often, the velocities of escapers are very large. On the other hand, the movie also shows the dynamical processes of a formation, dynamical evolution and disruption of the temporary wide binaries in triples and a formation of final hard massive binaries in the final evolution of triples.

Anosova, Joanna P.↗

Effects of 3d electron configurations on helium bubble formation and void swelling in concentrated solid-solution alloys

Currently, elemental specific chemical complexity is known to play a vital role in microstructure development in single-phase concentrated solid-solution alloys (SP-CSAs), including both He bubble formation and irradiation-induced void swelling. While cavity formation and evolution under ion irradiation at elevated temperature are complex nonequilibrium processes, chemical effects are revealed at the level of electrons and atoms herein in a simplified picture, using Ni and a special set of Ni-based SP-CSAs composed of 3d transition metals as model alloys. Based on Ni and the model alloys with minimized variables (e.g., atomic mass, size, and lattice structure), we report on the effects of chemically-biased energy dissipation, defect energetics, sluggish diffusion, and atomic transport on cavity formation and evolution under both self-ion Ni irradiation and He implantation. The observed difference in microstructure evolution is attributed to the effects of d electron interactions in their integrated ability to dissipate radiation energy. The exhibited impact of alloying 3d transition metals with larger differences in the outermost electron counts suggests a simple design strategy for tuning defect properties to improve radiation tolerance in structural alloys.

36 MATERIALS SCIENCE↗

Hail Monitor Sensor

An inexpensive and simple hail monitor design has been developed that has a single piezoelectric ceramic disc and uses a metal plate as a sounding board. The structure is durable and able to withstand the launch environment. This design has several advantages over a multi-ceramic sensor, including reduced cost and complexity, increased durability, and improvement in impact response uniformity over the active surface. However, the most important characteristic of this design is the potential to use frequency discrimination between the spectrum created from raindrop impact and a hailstone impact. The sound of hail hitting a metal plate is distinctly different from the sound of rain hitting the same plate. This fortuitous behavior of the pyramid sensor may lead to a signal processing strategy, which is inherently more reliable than one depending on amplitude processing only. The initial concept has been im proved by forming a shallow pyramid structure so that hail is encouraged to bounce away from the sensor so as not to be counted more than once. The sloped surface also discourages water from collecting. Additionally, the final prototype version includes a mounting box for the piezo-ceramic, which is offset from the pyramid apex, thus helping to reduce non-uniform response (see Figure 2). The frequency spectra from a single raindrop impact and a single ice ball impact have been compared. The most notable feature of the frequency resonant peaks is the ratio of the 5.2 kHz to 3.1 kHz components. In the case of a raindrop, this ratio is very small. But in the case of an ice ball, the ratio is roughly one third. This frequency signature of ice balls should provide a robust method for discriminating raindrops from hailstones. Considering that hail size distributions (HSDs) and fall rates are roughly 1 percent that of rainfall, hailstone sizes range from a few tenths of a centimeter to several centimeters. There may be considerable size overlap between large rain and small hail. As hail occurs infrequently at KSC, the ideal HSD measurement sensor needs to have a collection area roughly 100 times greater than a raindrop-size distribution sensor or disdrometer. The sensitivity should be such that it can detect and count very small hail in the midst of intense rainfall consisting of large raindrop sizes. The dynamic range and durability should allow measurement of the largest hail sizes, and the operation and calibration strategy should consider the infrequent occurrence of hail fall over the KSC area.

Younquist, Robert↗

Textbook Multigrid Efficiency for Computational Fluid Dynamics Simulations

Considerable progress over the past thirty years has been made in the development of large-scale computational fluid dynamics (CFD) solvers for the Euler and Navier-Stokes equations. Computations are used routinely to design the cruise shapes of transport aircraft through complex-geometry simulations involving the solution of 25-100 million equations; in this arena the number of wind-tunnel tests for a new design has been substantially reduced. However, simulations of the entire flight envelope of the vehicle, including maximum lift, buffet onset, flutter, and control effectiveness have not been as successful in eliminating the reliance on wind-tunnel testing. These simulations involve unsteady flows with more separation and stronger shock waves than at cruise. The main reasons limiting further inroads of CFD into the design process are: (1) the reliability of turbulence models; and (2) the time and expense of the numerical simulation. Because of the prohibitive resolution requirements of direct simulations at high Reynolds numbers, transition and turbulence modeling is expected to remain an issue for the near term. The focus of this paper addresses the latter problem by attempting to attain optimal efficiencies in solving the governing equations. Typically current CFD codes based on the use of multigrid acceleration techniques and multistage Runge-Kutta time-stepping schemes are able to converge lift and drag values for cruise configurations within approximately 1000 residual evaluations. An optimally convergent method is defined as having textbook multigrid efficiency (TME), meaning the solutions to the governing system of equations are attained in a computational work which is a small (less than 10) multiple of the operation count in the discretized system of equations (residual equations). In this paper, a distributed relaxation approach to achieving TME for Reynolds-averaged Navier-Stokes (RNAS) equations are discussed along with the foundations that form the basis of this approach. Because the governing equations are a set of coupled nonlinear conservation equations with discontinuities (shocks, slip lines, etc.) and singularities (flow- or grid-induced), the difficulties are many. This paper summarizes recent progress towards the attainment of TME in basic CFD simulations.

Brandt, Achi↗

Assessing the Effect of Spaceflight on the Propensity for Astronauts to Develop Disk Herniation

BACKGROUND: A previous study [1] reported that the instantaneous risk of developing a Herniated Nucleus Pulposus (HNP) was higher in astronauts who had flown at least one mission, as compared with those in the corps who had not yet flown. However, the study only analyzed time to HNP after the first mission (if any) and did not account for the possible effects of multiple missions. While many HNP's occurred well into astronauts' careers or in some cases years after retirement, the higher incidence of HNPs relatively soon after completion of space missions appears to indicate that spaceflight may lead to an increased risk of HNP. The purpose of this study was to support the Human System Risk Board assessment of back pain, evaluate the risk of injury due to dynamic loads, and update the previous dataset which contained events up to December 31, 2006. METHODS: Data was queried from the electronic medical record and provided by the Lifetime Surveillance of Astronaut Health. The data included all 330 United States astronauts from 1959 through February 2014. Cases were confirmed by Magnetic Resonance Imaging, Computerized Tomography, Myelography, operative findings, or through clinical confirmation with a neurologist or neurosurgeon. In this analysis, astronauts who had an HNP at selection into the corps or had an HNP diagnosis prior to their first flight were excluded. The statistical challenges in using the available data to separate effects of spaceflight from those associated with general astronaut training and lifestyle on propensity to develop HNPs are many. The primary outcome is reported date of first HNP (if any), which at best is only an approximation to the actual time of occurrence. To properly analyze this data with a survival analysis model, one must also know the "exposure" time - i.e. how long each astronaut has been at risk for developing an HNP. If an HNP is reported soon after a mission, is it mission caused or general? If the former, exposure time should be counted from the time of landing (assuming the risk of HNP occurring during a mission is zero). If the latter, exposure time should be counted from the time of selection; however we can't directly know which one to use. In our analysis we take both of these possibilities into account with a competing risks model, wherein two distinct stochastic processes are going on: TG = time to HNP (general) and TS = time to HNP (spaceflight). Under this type of model, whichever of these occurs first is what we observe; in other words we don't observe TG or TS, only min(TG, TS). Here, we parameterized the model in terms of separate Weibull hazard functions for each process and estimated all parameters using maximum likelihood. In addition, we allowed for a "cured fraction" - i.e. the possibility that some astronauts may never develop an HNP. RESULTS: Results will include a depiction of the competing hazard functions as well as a probability curve for the relative likelihood that an HNP reported at a given time after a mission is actually mission caused. Other factors, such as dwell time in microgravity and vehicle landing environment will be explored. An overall assessment as to whether spaceflight truly exacerbates HNP risk will be made.

Feiveson, A. H.↗

Ensembles of Metastable States Govern Heterogeneous Catalysis on Dynamic Interfaces

Heterogeneous catalysis is at the heart of chemical industry. Being able to tune and design efficient catalysts for processes of interest is of an utmost importance, and for this, the molecular-level understanding of heterogeneous catalysts is the first step, and indeed a prime focus of the modern catalysis research. For a long time, a single most thermodynamically stable structure of the catalytic interface attained in reaction conditions had been envisioned as the reactive phase. However, some catalytic interfaces continue to undergo structural dynamics in the steady state, triggered by high temperatures, pressures, and binding and changing reagents. Among particularly dynamic interfaces are such widely-used catalysts as crystalline and amorphous surfaced supporting (sub-)nano metallic clusters. Recently, it became clear that this dynamic fluxionality causes the supported clusters to populate many distinct structural and stoichiometric states in catalytic conditions. Hence, the catalytic interface should be viewed as an evolving statistical ensemble of many (not one) structures. As such, every member in the ensemble contributes to the properties of the catalyst differently, and in proportion to its probability to be populated. This new notion flips the established paradigm and calls for new theory, modeling approaches, operando measurements, and updated design strategies. The statistical ensemble nature of surface-supported sub-nano cluster catalysts can be exemplified by oxide-supported and adsorbate-covered Pt, Pd, Cu, CuPd clusters, catalytic toward oxidative and non-oxidative dehydrogenation. They have access to a variety of 3D and quasi-2D shapes. The compositions of their thermal ensembles are dependent on the cluster size, leading to size-specific catalytic activities and the famous “every atom counts” phenomenon. The support and adsorbates affect catalyst structures, and state of the reacting species causes the ensemble to change in every reaction intermediate. The most stable member of the ensemble dominates the thermodynamic properties of the corresponding intermediate, whereas the kinetics can be determined by more active but less populated metastable catalyst states, and that suggests that many earlier studies might have overlooked the actual active sites. Both effects depend on the relative time-scales of catalyst restructuring and reaction dynamics. The catalyst may routinely operate off-equilibrium. Ensemble phenomena lead to surprising exceptions from established rules of catalysis, such as scaling relations, and Arrhenius behavior. Catalyst deactivation is also an ensemble property, and its extent of mitigation can be predicted through the new paradigm. These findings were enabled by advances in theory, such as global optimization and subsequent utilization of multiple local minima, and pathways sampling, as well as operando catalyst characterization. The fact that the per-site and per-species resolution is needed for the description and predicting of catalyst properties gives theory the central role in catalysis research, as most experiments provide ensemble-average information and cannot detect the crucial minority species that may be responsible for the catalytic activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Thermal conductivity reduction by isoelectronic elements V and Ta for partial substitution of Nb in half-Heusler Nb (1-x)/2 V (1-x)/2 Ta x CoSb

Recently, we found a new n-type thermoelectric half-Heusler NbCoSb with a valence electron count of 19, different from the usual 18. In this paper, we focus on the effect of partial substitution of Nb by isoelectronic elements V and Ta on the reduction of the thermal conductivity of Nb(1-x)/2V(1-x)/2TaxCoSb. We found that the isoelectronic elements V and Ta for partial substitution of Nb can dramatically decrease the thermal conductivity from 7.0 W m-1 K-1 to 3.3 W m-1 K-1 at room temperature for Nb0.44V0.44Ta0.12CoSb, but unfortunately a large power factor decrease also occurred. Consequently, a peak ZT of ~0.5 is achieved at 700 °C for Nb0.44V0.44Ta0.12CoSb, which is about 25% higher than the ~0.4 reported earlier for NbCoSb.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Importance of turbulence-chemistry interactions at low temperature engine conditions

The role of turbulence-chemistry interaction in autoignition and flame stabilization is investigated for spray flames at low temperature combustion (LTC) conditions by performing high-fidelity three-dimensional computational fluid dynamics (CFD) simulations. A recently developed Tabulated Flamelet Model (TFM) is coupled with a large eddy simulation (LES) framework and validated across a range of Engine Combustion Network (ECN) ambient temperature conditions for n-dodecane fuel. High resolution grids with 0.0625 mm minimum cell size and 25 million total cell count are implemented using adaptive mesh refinement over the spray and combustion regions. Simulations with these grids and multiple LES realizations, with a 103 species n-dodecane mechanism show good agreement with experimental data for all the ambient conditions investigated. This modeling approach with the computational cost advantage of tabulated chemistry is then extended towards understanding the auto-ignition and flame stabilization at an ambient temperature of 750 K. These low temperature conditions lead to substantially higher ignition delays and flame liftoff lengths, and significantly leaner combustion compared to conventional high temperature diesel combustion. These conditions also require the simulations to span significantly larger temporal and spatial dimensions thereby increasing the computational cost. The TFM approach is able to capture autoignition and flame liftoff length at the low temperature conditions. Significant differences with respect to mixing, species formation and flame stabilization are observed under low temperature compared to conventional diesel combustion. At higher ambient temperatures, formation of formaldehyde is observed in the rich region (phi > 1) followed by the formation of OH in the stoichiometric regions. Under low temperature conditions, formaldehyde is observed to form at leaner regions followed by the onset of OH formation in significantly lean regions of the flame. Qualitative differences between species formation and transient flame development for the high and low temperature conditions are presented. The two stage ignition process is further investigated by studying the species formation in mixture fraction space by solving 1D flamelet equations for different scalar dissipation rates and homogeneous reactor assumption. Results show that scalar dissipation causes these radicals to diffuse within the mixture fraction space. As a result, this significantly enhances ignition and plays a dominant role at such low temperature conditions which cannot be captured by the homogeneous reaction assumption based model.

33 ADVANCED PROPULSION SYSTEMS↗

Space Shuttle Day-of-Launch Trajectory Design Operations

A top priority of any launch vehicle is to insert as much mass into the desired orbit as possible. This requirement must be traded against vehicle capability in terms of dynamic control, thermal constraints, and structural margins. The vehicle is certified to specific structural limits which will yield certain performance characteristics of mass to orbit. Some limits cannot be certified generically and must be checked with each mission design. The most sensitive limits require an assessment on the day-of-launch. To further minimize vehicle loads while maximizing vehicle performance, a day-of-launch trajectory can be designed. This design is optimized according to that day s wind and atmospheric conditions, which increase the probability of launch. The day-of-launch trajectory design and verification process is critical to the vehicle s safety. The Day-Of-Launch I-Load Update (DOLILU) is the process by which the National Aeronautics and Space Administration's (NASA) Space Shuttle Program tailors the vehicle steering commands to fit that day s environmental conditions and then rigorously verifies the integrated vehicle trajectory s loads, controls, and performance. This process has been successfully used for almost twenty years and shares many of the same elements with other launch vehicles that execute a day-of-launch trajectory design or day-of-launch trajectory verification. Weather balloon data is gathered at the launch site and transmitted to the Johnson Space Center s Mission Control. The vehicle s first stage trajectory is then adjusted to the measured wind and atmosphere data. The resultant trajectory must satisfy loads and controls constraints. Additionally, these assessments statistically protect for non-observed dispersions. One such dispersion is the change in the wind from the last measured balloon to launch time. This process is started in the hours before launch and is repeated several times as the launch count proceeds. Should the trajectory design not meet all constraint criteria, Shuttle would be No-Go for launch. This Shuttle methodology is very similar to other unmanned launch vehicles. By extension, this method would likely be employed for any future NASA launch vehicle. This paper will review the Shuttle s day-of-launch trajectory optimization and verification operations as an example of a more generic application of day-of-launch design and validation. With Shuttle s retirement, it is fitting to document the current state of this critical process and capture lessons learned to benefit current and future launch vehicle endeavors.

Harrington, Brian E.↗

Expanded Use of ISOCS Characterization Techniques for WIPP Certification at the Idaho Clean-up Project - 19623

The Advanced Mixed Waste Treatment Project (AMWTP) has been retrieving, treating, characterizing, and shipping legacy Transuranic (TRU) waste for disposal since 2003 as part of the overall Idaho Cleanup Project (ICP) in support of the US Department of Energy. As the ICP has progressed, over 700 containers have been identified that cannot be successfully assayed using the current suite of non-destructive assay (NDA) instruments. To meet this challenge, Fluor Idaho, LLC, and Mirion Technologies (formerly Canberra Industries) have teamed to deploy the In-Situ Object Counting System (ISOCS) to supplement the current NDA capabilities. ISOCS has long been used in various radioactive waste management applications, but never has the ISOCS ability to perform intrinsic efficiency modeling of discrete waste containers been employed to characterize and certify TRU waste for disposal at the Waste Isolation Pilot Plant (WIPP), near Carlsbad, New Mexico. Since the primary disposal facility for this waste is the WIPP, the characterization processes for determining the quantity of radioactive material entrained in the waste are subject to WIPP Waste Acceptance Criteria (WAC) quality requirements and associated performance criteria. Until now, the Carlsbad Field Office (CBFO) WIPP-certified NDA equipment has utilized pre-defined efficiency calibrations for fixed geometries. However, due to the radioactive material content, activity levels, waste stream matrix, and/or the geometries of various size drums, boxes and other-odd-shaped containers or container integrity issues, it may not be suitable to characterize these containers with any of the existing WIPP-certified NDA equipment located at the AMWTP. Therefore, advanced technologies are needed to complete characterization of these problematic waste containers. The July 5, 2016 release of the WIPP WAC, DOE/WIPP-02-3122, Revision 8.0, Appendix A, 'Radioassay Requirements for Transuranic Waste,' was expanded to include several newer concepts such as American Society for Testing and Materials (ASTM) approved methods for efficiency-based calibrations and the use of mathematical computer modeling techniques for calibration. This change prompted AMWTP to pursue obtaining WIPP certification authority for expanded ISOCS techniques to deal with the remaining challenging waste containers and the development and implementation of Mirion's Figures of Merit (FOM) evaluations. These vital FOM evaluations enhance the ISOCS's modeling capabilities by optimizing the dynamic efficiency calibration for each object and reducing the assay's Total Measurement Uncertainty (TMU) budget. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Dynamically Reconfigurable Data Readout of Pixel Detectors for Automatic Synchronization with Data Acquisition Systems

Reconfigurable detectors with dynamically selectable sensing and readout modes are highly desirable for implementing edge computing as well as enabling advanced imaging techniques such as foveation. The concept of a camera system capable of simultaneous passive imaging and dynamic ranging in different regions of the detector is presented. Such an adaptive-autonomous detector with both spatial and temporal control requires programmable window of exposure (time frames), ability to switch between readout modes such as full-frame imaging and zero-suppressed data, modification of the number of pixel data bits and independent programmability for distinct detector regions. In this work, a method is presented for seamlessly changing time frames and readout modes without data corruption while still ensuring that the data acquisition system (DAQ) does not need to stop and resynchronize at each change of setting, thus avoiding significant dead time. Data throughput is maximized by using a minimum unique data format, rather than lengthy frame headers, to differentiate between consecutive frames. A data control and transmitter (DCT) synchronizes data transfer from the pixel to the periphery, reconfigures the data to transmit it serially off-chip, while providing optimized decision support based on a DAQ definable mode. Measurements on a test structure demonstrate that the DCT can operate at 1 GHz in a 65 nm LP CMOS process.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Free-Energy Calculations. A Mathematical Perspective

Ion channels are pore-forming assemblies of transmembrane proteins that mediate and regulate ion transport through cell walls. They are ubiquitous to all life forms. In humans and other higher organisms they play the central role in conducting nerve impulses. They are also essential to cardiac processes, muscle contraction and epithelial transport. Ion channels from lower organisms can act as toxins or antimicrobial agents, and in a number of cases are involved in infectious diseases. Because of their important and diverse biological functions they are frequent targets of drug action. Also, simple natural or synthetic channels find numerous applications in biotechnology. For these reasons, studies of ion channels are at the forefront of biophysics, structural biology and cellular biology. In the last decade, the increased availability of X-ray structures has greatly advanced our understanding of ion channels. However, their mechanism of action remains elusive. This is because, in order to assist controlled ion transport, ion channels are dynamic by nature, but X-ray crystallography captures the channel in a single, sometimes non-native state. To explain how ion channels work, X-ray structures have to be supplemented with dynamic information. In principle, molecular dynamics (MD) simulations can aid in providing this information, as this is precisely what MD has been designed to do. However, MD simulations suffer from their own problems, such as inability to access sufficiently long time scales or limited accuracy of force fields. To assess the reliability of MD simulations it is only natural to turn to the main function of channels - conducting ions - and compare calculated ionic conductance with electrophysiological data, mainly single channel recordings, obtained under similar conditions. If this comparison is satisfactory it would greatly increase our confidence that both the structures and our computational methodologies are sufficiently accurate. Channel conductance, defined as the ratio of ionic current through the channel to applied voltage, can be calculated in MD simulations by way of applying an external electric field to the system and counting the number of ions that traverse the channel per unit time. If the current is small, a voltage significantly higher than the experimental one needs to be applied to collect sufficient statistics of ion crossing events. Then, the calculated conductance has to be extrapolated to the experimental voltage using procedures of unknown accuracy. Instead, we propose an alternative approach that applies if ion transport through channels can be described with sufficient accuracy by the one-dimensional diffusion equation in the potential given by the free energy profile and applied voltage. Then, it is possible to test the assumptions of the equation, recover the full voltage/current dependence, determine the reliability of the calculated conductance and reconstruct the underlying (equilibrium) free energy profile, all from MD simulations at a single voltage. We will present the underlying theory, model calculations that test this theory and simulations on ion conductance through a channel that has been extensively studied experimentally. To our knowledge this is the first case in which the complete, experimentally measured dependence of the current on applied voltage has been reconstructed from MD simulations.

free energy↗

Development of a Thin Film Primary Surface Heat Exchanger for Advanced Power Cycles

This project objective is to develop a high-temperature design upgrade for an existing primary surface heat exchanger so that the redesigned hardware is capable of operation in CO 2 at temperatures up to 1,510°F (821°C) and pressure differentials up to 130 psi (9 bar). The heat exchanger is proposed for use as a recuperator in an advanced low-pressure oxy-fuel Brayton cycle that is predicted to achieve over 50% thermodynamic efficiency, although the heat exchanger could also be used in other high-temperature, low-differential pressure cycles. This report describes the progress to date, which includes continuing work performed to select and test new candidate materials for the recuperator redesign, final mechanical and thermal performance analysis results of various redesign concepts, and the preliminary design of a test loop for the redesigned recuperator including a budgetary estimate for detailed test loop design, procurement, and test operation. A materials search was performed in order to investigate high-temperature properties of many candidate materials, including high-temperature strength and nickel content. These properties were used to rank the candidate materials, resulting in a reduced list of nine materials for corrosion testing. Multiple test rigs were considered and analyzed for short-term corrosion testing and Thermal Gravimetric Analysis (TGA) was selected as the most cost-effective option for evaluating corrosion resistance of the candidate materials. In addition, tantalum, niobium, and chromium coatings were identified as potential options for increased corrosion resistance. The test results show that many materials exhibit relatively low weight gain rates, and that niobium and tantalum coatings may improve corrosion resistance for many materials, while chromium coatings appear to oxidize and debond quickly. Metallurgical analysis of alloys was also performed, showing evidence of intergranular attack in 282 that may cause long-term reliability problems in CO 2 service at these temperatures. However, long-term testing in a flowing environment is recommended in order to understand accurately the severity of the attack. Detailed economic modeling of the existing air cycle recuperator and CO 2 cycle recuperator options was also completed, including costs for material, fabrication, fuel, maintenance, and operation. The analysis results show that the increased capital cost for high-temperature materials may be offset by higher cycle efficiencies, decreasing the overall lifetime cost of the system. The economic analysis also examines costs associated with increased pressure drop and material changes for two redesign options. These results show that, even with slightly reduced performance and/or higher material costs, the lifetime cost per energy production may still be reduced by over 12%. The existing recuperator design information was provided by Solar Turbines, Inc. via several models, drawings, and design handoff meetings. Multiple fluid/thermal and structural models were created in order to analyze critical recuperator performance and mechanical strength in critical areas throughout the redesign process. These models were analyzed for a baseline condition (consistent with current Mercury 50 operation) for validation purposes. Results are presented for heat transfer coefficients and pressure drops, matching well with the existing operational data. Simulation of higher-temperature CO 2 conditions was also performed, showing a slight expected increase in both heat transfer and pressure drop. Mechanical analysis results for critical areas on the cross-flow and counter-flow sheets have also been obtained for air and CO 2 cases. These results show similar stresses in both cases but significantly reduced safety factors for the CO 2 case due to reduced yield and creep rupture strengths of alloy 625 at the higher temperatures. A concept brainstorm session and initial down-selection were completed in order to identify promising redesign options for further analysis. Detailed analysis of all promising redesign options was performed via finite element and computational fluid dynamic simulations in order to characterize mechanical and thermal-fluid performance of each option. These options included material change, various sheet thickness configurations, pitch and phasing of cross-flow and counter-flow sheets, and separator sheets. The analysis results have identified two viable redesign options that maintain existing safety margins optimally through a material change to Haynes 282 and (A) sheet thickness increases of 40% on the counter-flow sheet and 75% on the hot side cross-flow corrugation sheet or (B) addition of a separator sheet in the counter-flow section while maintaining the original counter-flow sheet thickness and increasing the cross-flow corrugation sheet thickness by 90% to account for the increase in cell height. While both options satisfy mechanical stress constraints, the separator sheet design has a higher part count, slightly reduced heat transfer, and slightly higher pressure drop than the first option and is not preferred. Finally, several test loop concepts have been developed for different full-scale and reduced-scale recuperator testing options. For each option, various loop components, such as heat exchangers, valves, heaters, and compressors, were evaluated in an effort to maximize utilization of existing resources. All concepts utilize an existing 3-MW CO 2 compressor, heater, and loop coolers, but the concepts vary by incorporating different amounts of new equipment for achieving various flow rates (all concepts operate at design pressure and temperature). The third concept achieves a 1 kg/s test without purchasing any costly equipment (coolers, heaters, blowers, etc.). Since the stacked cell design of the recuperator results in the same flow conditions at each core cell (even for a reduced-scale test). Thus, test loop Concept #3 was selected for the preliminary design. This loop design is detailed within the report, culminating in a budgetary estimate of $1,013,000.00 for the detailed design, construction, commissioning, and operation of a high-temperature recuperator test loop.

03 NATURAL GAS↗

Effect of Electronic Shot Noise on Dynamic Measurements using Optical Techniques: Examples from Rayleigh Scattering and Unsteady PSP

Electronic shot noise is an unavoidable reality in all optical techniques that depend on measuring light intensity. For steady-state, time-averaged measurements the impact of shot noise can be easily reduced by increasing the exposure time, or by averaging over multiple-exposures. That is not the case for unsteady measurements, where time histories of light intensity variations need to be created either by high-speed photography (unsteady PSP) or via photoelectron counting (spectrally resolved Rayleigh scattering) over short time durations using a photo-multiplier tube (PMT) and photon counting electronics. Electronic shot noise introduces a fixed amount of random error, which can overwhelm the light intensity variation caused by turbulent fluctuations. Spectrum computed from such time series shows a fixed noise floor that is independent of the number of data points in the time series. For a fixed optical system, where the collected power of the luminescent light (uPSP), or the scattered light (Rayleigh) is fixed, one needs to resort to special techniques to obtain enough signal-to noise ratio (SNR). For the uPSP application it is shown that averaging of the adjacent pixels improves SNR; although this may lead to a sacrifice of spatial resolution. A second means is to increase the exposure time, which leads to a lowering of the frequency range. For the Rayleigh application, improvements of SNR can be achieved via two different cross-correlation based approaches. The first involves measuring the light intensity using two PMTs using short, contiguous gates; thereby, creating two time-series of data. The second one involves collecting one long time-series of data using one set of measurement device, followed by an odd-even splitting into two time series. When the two time-series are cross-correlated, and a power spectrum is calculated, a significant reduction in the shot noise floor can be achieved. Examples from measurements of density and velocity fluctuations spectra from two different Rayleigh setup are presented to demonstrate the process.

uPSP↗

Grassland Bird Distribution and Raptor Flight Patterns in the Competitive Renewable Energy Zones of the Texas Panhandle [Thesis]

The consistent wind resource in the Great Plains of North America has encouraged the development of wind energy facilities across this region. In the Texas Panhandle, a high quality wind resource is only one factor that has led to the expansion of wind energy development. Other factors include federal tax incentives and the availability of subsidies. Moreover, the State Renewable Portfolio Standards (RPS), mandating production of 10,000 mega-watts of renewable energy in the state by 2025, has contributed to an amicable regulatory and permitting environment (State Energy Conservation Office 2010). Considering the current rate of development, the RPS will be met in coming years (American Wind Energy Association 2011) and the rate of development is likely to continue. To meet increased energy demands in the face of a chronically constrained transmission grid, Texas has developed a comprehensive plan that organizes and prioritizes new transmission systems in high quality wind resource areas called Competitive Renewable Energy Zones (CREZ). The CREZ plan provides developers a solution to transmission constraints and unlocks large areas of undeveloped wind resource areas. In the northern Texas panhandle, there are two CREZs that are classified Class 3 wind (Class 5 is the highest) and range from 862,725 to 1,772,328 ha in size (Public Utility Commission of Texas 2008). Grassland bird populations have declined more than any other bird group in North America (Peterjohn and Sauer 1999, Sauer et al. 2004). Loss of grassland habitat from agricultural development has been the greatest contributor to the decline of grassland bird populations, but development of non-renewable (i.e., oil, coal, and gas) and renewable energy (i.e., wind, solar, biomass, and geothermal) sources have contributed to the decline as well (Pimentel et al. 2002, Maybe and Paul 2007). The effects of wind energy development on declining grassland bird populations has become an area of extensive research, as we attempt to understand and minimize potential impacts of a growing energy sector on declining bird populations. Based on data from post-construction fatality surveys, two grassland bird groups have been the specific focus of research, passerines (songbird guild) and raptors (birds of prey). The effects of wind energy development on these two groups of birds, both of conservation concern, have been examined over the last decade. The primary focus of this research has been on mortality resulting from collision with wind turbines (Kuvlesky et al. 2007). Most studies just quantify post-construction fatality levels (e.g., Erickson et al. 2002) while very few studies provide a comparison of bird populations prior to development through a Before-After-Control-Impact (BACI) study design. Before-After-Control-Impact studies provide powerful evidence of avian/wind energy relationships (Anderson et al. 1999). Despite repeated urgency on conducting these types of studies (Anderson et al. 1999, Madders and Whitfield 2006, Kuvelsky et al. 2007), few have been conducted in North America. Although several European researchers (Larsson 1994, de Lucas et al. 2007) have used BACI designs to examine whether wind facilities modified raptor behavior, there is a scarcity of BACI data relating to North America grassland ecosystems that examine avian-wind energy relationships. There are less than a handful of studies in the entire United States, let alone the southern short grass prairie ecosystem, that incorporate preconstruction data to form the baseline for post-construction impact estimates (Johnson et al. 2000, Erickson et al. 2002). Although declines in grassland bird populations are well-documented (Peterjohn and Sauer 1999, Sauer et al. 2004), the causal mechanisms affecting the decline of grassland birds with increasing wind energy development in the southern short grass prairie are not well-understood (Kuvlesky et al. 2007, Maybe and Paul 2007). Several factors may potentially affect the bird population when wind turbines are constructed in areas with high bird densities (de Lucas et al. 2007). Habitat fragmentation, noise from turbines, physical movement of turbine blades, and increased vehicle traffic have been suggested as causes of decreased density of nesting grassland birds in Minnesota (Leddy et al. 1999), Oklahoma (O’Connell and Piorkowski 2006), and South Dakota (Shaffer and Johnson 2008). Similarly, constructing turbines in areas where bird flight patterns place them at similar heights of turbine blades increases the potential for bird collisions (Johnson et al. 2000, Hoover 2002). Raptor fatalities have been associated with topographic features such as ridges, saddles and rims where birds use updrafts from prevailing winds (Erickson et al. 2000, Johnson et al. 2000, Barrios and Rodriquez 2004, Hoover and Morrison 2005). Thus, wind energy development can result in indirect (e.g., habitat avoidance, decreased nest success) and direct (e.g., collision fatalities) impacts to bird populations (Anderson et al. 1999). Directly quantifying the level of potential impacts (e.g., estimated fatalities/mega-watthour) from wind energy development is beyond the scope of this study. Instead, I aim to quantify density, occupancy and flight behavior for the two bird groups mentioned earlier: obligate grassland songbirds and raptors, respectively, predict where impacts may occur, and provide management recommendations to minimize potential impacts. The United States Department of Energy (DOE), through the Office of Energy Efficiency and Renewable Energy Allocation, contracted Texas Tech University to investigate grassland bird patterns of occurrence in the anticipated CREZ in support of DOE’s 20% Wind Energy by 2030 initiative. In cooperation with Iberdrola Renewables, Inc., studies initiated by Wulff (2010) at Texas Tech University were continued at an area proposed for wind energy development and a separate reference site unassociated with wind energy development. I focused on four primary objectives and this thesis is accordingly organized in four separate chapters that address grassland bird density, grassland bird occupancy, raptor flight patterns, and finally I summarize species diversity and composition. The following chapters use formatting from the Journal of Wildlife Management guidelines (Block et al. 2011) with modifications as required by the Texas Tech University Graduate School. 1) I estimate pre-construction bird density patterns using methods that adjust for imperfect detection. I used a distance sampling protocol that effectively accounts for incomplete detection in the field where birds are present but not detected (Buckland et al. 2001). I improved density estimates with hierarchical distance sampling models, a modeling technique that effectively incorporates the detection process with environmental covariates that further influence bird density (Royle et al. 2004, Royle and Dorazio 2008). Covariates included road density and current oil and gas infrastructure to determine the relationship between existing energy development and bird density patterns. Further, I used remote sensing techniques and vegetation field data to investigate how landcover characteristics influenced bird density patterns. I focused species-specific analyses on obligate grassland birds with >70 detections per season namely grasshopper sparrow (Ammodramus savannarum) and horned lark (Eremophila alpestris). Chapter II focuses on hierarchical models that model and describe relationships between grassland bird density and anthropogenic and landscape features. 2) A large number of bird detections (>70) are needed to estimate density using distance sampling and collection of such quantity are often not feasible, particularly for cryptic species or species that naturally occur at low densities (Buckland et al. 2001). Occupancy models operate with far fewer data and are often used as a surrogate for bird abundance when there are fewer detections (MacKenzie and Nichols 2004). I used occupancy models that allow for the possibility of imperfect detection and species abundance to improve estimates of occurrence probability (Royal 2004). I focused species-specific analyses on grassland birds with few detections: Cassin’s sparrow (Peucaea cassinii), eastern meadowlark (Sturnella magna), and upland sandpiper (Bartramia longicauda). Chapter III uses a multi-season dynamic site occupancy model that incorporates bird abundance to better estimate occurrence probability. 3) When I considered the topographic relief of the study sites, the proposed design of the wind facility and its location within the central U.S. migratory corridor, I expanded the study to investigate raptor abundance and flight behavior (Hoover 2002, Miller 2008). I developed a new survey technique that improved the accuracy of raptor flight height estimates and compared seasonal counts and flight heights at the plateau rim and areas further inland. I used counts and flight behaviors to calculate species-specific collision risk indices for raptors based on topographic features. I focused species-specific analyses on raptors with the highest counts: American kestrel (Falco sparverius), northern harrier (Circus cyaneus), red-tailed hawk (Buteo jamaicensis), Swainson’s hawk (Buteo swainsoni), and turkey vulture (Cathartes aura). Chapter IV describes patterns of seasonal raptor abundance and flight behavior and how topography modulates collision risk with proposed wind energy turbines. 4) Finally, for completeness, in Chapter V I summarize morning point count data for all species and provide estimates of relative composition and species diversity with the Shannon-Wiener Diversity Index (Shannon and Weaver 1949).

17 WIND ENERGY↗

Photoluminescence Dynamics of Aryl sp 3 Defect States in Single-Walled Carbon Nanotubes

Photoluminescent defect states introduced by sp 3 functionalization of semiconducting carbon nanotubes are rapidly emerging as important routes for boosting emission quantum yields and introducing new functionality. Knowledge of the relaxation dynamics of these states is required for understanding how functionalizing agents (molecular dopants) may be designed to access specific behaviors. We measure photoluminescence (PL) decay dynamics of sp 3 defect states introduced by aryl functionalization of the carbon nanotube surface. Results are given for five different nanotube chiralities, each doped with a range of aryl functionality. We find the PL decays of these sp 3 defect states are biexponential, with both components relaxing on timescales of ~ 100 ps. Exciton trapping at defects is found to increases PL lifetimes by a factor of 5-10, in comparison to those for the free exciton. A significant chirality dependence is observed in the decay times, ranging from 77 ps for (7,5) nanotubes to > 600 ps for (5,4) structures. The strong correlation of time constants with emission energy indicates relaxation occurs via multiphonon decay processes, with close agreement to theoretical expectations. Variation of the aryl dopant further modulates decay times by 10-15%. The aryl defects also affect PL lifetimes of the free E 11 exciton. Shortening of the E 11 bright state lifetime as defect density increases provides further confirmation that defects act as exciton traps. A similar shortening of the E11 dark exciton lifetime is found as defect density increases, providing strong experimental evidence that dark excitons are also trapped at such defect sites.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DISCRETE ELEMENT MODELING OF BLADE–STRIKE FREQUENCY AND SURVIVAL OF FISH PASSING THROUGH HYDROKINETIC TURBINES

Evaluating the consequences from blade-strike of fish on marine hydrokinetic (MHK) turbine blades is essential for incorporating environmental objectives into the integral optimization of machine performance. For instance, experience with conventional hydroelectric turbines has shown that innovative shaping of the blade and other machine components can lead to improved designs that generate more power without increased impacts to fish and other aquatic life. In this work, we used unsteady computational fluid dynamics (CFD) simulations of turbine flow and discrete element modeling (DEM) of particle motion to estimate the frequency and severity of collisions between a horizontal axis MHK tidal energy device and drifting aquatic organisms or debris. Two metrics are determined with the method: the strike frequency and survival rate estimate. To illustrate the procedure step-by-step, an exemplary case of a simple runner model was run and compared against a probabilistic model widely used for strike frequency evaluation. The results for the exemplary case showed a strong correlation between the two approaches. In the application case of the MHK turbine flow, turbulent flow was modeled using detached eddy simulation (DES) in conjunction with a full moving rotor at full scale. The CFD simulated power and thrust were satisfactorily comparable to experimental results conducted in a water tunnel on a reduced scaled (1:8.7) version of the turbine design. A cloud of DEM particles was injected into the domain to simulate fish or debris that were entrained into the turbine flow. The strike frequency was the ratio of the count of colliding particles to the crossing sample size. The fish length and approaching velocity were test conditions in the simulations of the MHK turbine. Comparisons showed that DEM-based frequencies tend to be greater than previous results from Lagrangian particles and probabilistic models, mostly because the DEM scheme accounts for both the geometric aspects of the passage event ---which the probabilistic method does--- as well as the fluid-particle interactions ---which the Lagrangian particle method does. The DEM-based survival rates were comparable to laboratory results for small fish but not for mid-size fish because of the considerably different turbine diameters. The modeling framework can be used for applications that aim at evaluating the biological performance of MHK turbine units during the design phase and to provide information to regulatory agencies needed for the environmental permitting process.

blade strike↗