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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 19 records

A Potts Model parameter study of particle size, Monte Carlo temperature, and “Particle-Assisted Abnormal Grain Growth”

A Potts Model was proposed to account for temperature and particle heterogeneity-dependent Zener Pinning. This was accomplished by relating the random fluctuations of grain boundary position allowed by the Potts Model switching probability at finite simulation temperature to experimentally observed grain growth stagnation behavior. We assume that these fluctuations arise from random fluctuations in the thermodynamic and kinetic properties of the grain boundaries and/or interfaces as they change with temperature. As an application of this model, the grain growth kinetics of U-10 wt. % Mo nuclear fuels were simulated with the input of microstructural images during different heat treatment processes. Simulated average grain growth behavior is in good agreement with experiments.

Frazier, William E.↗

Feathering instability of spiral arms. II. Parameter study

We report the results of a parameter study of the feathering stability in the galactic spiral arms. A two-dimensional, razor-thin magnetized self-gravitating gas disk with an imposed two-armed stellar spiral structure is considered. Using the formulation developed previously by Lee and Shu, a linear stability analysis of the spiral shock is performed in a localized Cartesian geometry. Results of the parameter study of the base state with a spiral shock are also presented. The single-mode feathering instability that leads to growing perturbations may explain the feathering phenomenon found in nearby spiral galaxies. The self-gravity of the gas, characterized by its average surface density, is an important parameter that (1) shifts the spiral shock farther downstream and (2) increases the growth rate and decreases the characteristic spacing of the feathering structure due to the instability. On the other hand, while the magnetic field suppresses the velocity fluctuation associated with the feathers, it does not strongly affect their growth rate. Using a set of typical parameters of the grand-design spiral galaxy M51 at 2 kpc from the center, the spacing of the feathers with the maximum growth rate is found to be 530 pc, which agrees with the previous observational studies.

79 ASTRONOMY AND ASTROPHYSICS↗

Systematic parameter study of a nonlinear electromagnetic energy harvester with matched magnetic orientation: Numerical simulation and experimental investigation

Here, this paper reports the systematic parameter study of a tristable nonlinear electromagnetic energy harvester for ambient low-frequency vibration. Numerical simulations and experimental investigations are performed on the harvester which consists of a cantilever beam, a tip coil, two tip magnets and two external side magnets. The external side magnets are deployed symmetrically along a concave surface parallel to the trajectory of the cantilever tip with a controllable distance so that the magnetic orientation of the tip magnets are matched with that of the side magnets. Therefore, instead of the ternary position parameters (d, h, α), a binary parameters pair (d 0 , d) is used to characterize the position of the side magnets and the performance of the energy harvester. The magnetic force and magnetic field on the cantilever tip therefore depend on the relative distance in the tip displacement direction between the tip magnets and side magnets, but is independent of the position of the side magnets on the concave surface. The magnetic force (field)-distance relationship is measured experimentally and curve fitted to obtain explicit expressions, in order to characterize the magnetic force (field) when the side magnets are placed at varied positions along the concave surface. Numerical simulation is, then, performed to predict the electromagnetic voltage output and the bandwidth of the energy harvester. The simulation results coincided with the measured data. Significant broadband response is obtained experimentally and the maximum RMS power output is 40.2 mW at 0.45 g of excitation. Furthermore, the proposed structure showcasing the matched magnetic orientation is characterized by the binary parameters pair (d 0 , d) and the systematic parametric approach could contribute to the design and study of nonlinear broadband energy harvesters.

30 DIRECT ENERGY CONVERSION↗

Improving the W Coating Uniformity by a COMSOL Model-Based CVD Parameter Study for Denser W f /W Composites

Tungsten (W) has the unique combination of excellent thermal properties, low sputter yield, low hydrogen retention, and acceptable activation. Therefore, W is presently the main candidate for the first wall and armor material for future fusion devices. However, its intrinsic brittleness and its embrittlement during operation bears the risk of a sudden and catastrophic component failure. As a countermeasure, tungsten fiber-reinforced tungsten (W f /W) composites exhibiting extrinsic toughening are being developed. A possible W f /W production route is chemical vapor deposition (CVD) by reducing WF 6 with H 2 on heated W fabrics. The challenge here is that the growing CVD-W can seal gaseous domains leading to strength reducing pores. In previous work, CVD models for W f /W synthesis were developed with COMSOL Multiphysics and validated experimentally. In the present article, these models were applied to conduct a parameter study to optimize the coating uniformity, the relative density, the WF 6 demand, and the process time. A low temperature and a low total pressure increase the process time, but in return lead to very uniform W layers at the micro and macro scales and thus to an optimized relative density of the W f /W composite. High H 2 and low WF 6 gas flow rates lead to a slightly shorter process time and an improved coating uniformity as long as WF 6 is not depleted, which can be avoided by applying the presented reactor model.

36 MATERIALS SCIENCE↗

Laboratory Photoionization Fronts in Nitrogen Gas: A Numerical Feasibility and Parameter Study

Photoionization fronts play a dominant role in many astrophysical situations but remain difficult to achieve in a laboratory experiment. We present the results from a computational parameter study evaluating the feasibility of the photoionization experiment presented in the design paper by Drake et al. in which a photoionization front is generated in a nitrogen medium. The nitrogen gas density and the Planckian radiation temperature of the X-ray source define each simulation. Simulations modeled experiments in which the X-ray flux is generated by a laser-heated gold foil, suitable for experiments using many kJ of laser energy, and experiments in which the flux is generated by a "z-pinch" device, which implodes a cylindrical shell of conducting wires. The models are run using crash, our block-adaptive-mesh code for multimaterial radiation hydrodynamics. The radiative transfer model uses multigroup, flux-limited diffusion with 30 radiation groups. In addition, electron heat conduction is modeled using a single-group, flux-limited diffusion. In the theory, a photoionization front can exist only when the ratios of the electron recombination rate to the photoionization rate and the electron-impact ionization rate to the recombination rate lie in certain ranges. These ratios are computed for several ionization states of nitrogen. Photoionization fronts are found to exist for laser-driven models with moderate nitrogen densities (~10 21 cm –3 ) and radiation temperatures above 90 eV. For "z-pinch"-driven models, lower nitrogen densities are preferred (<10 21 cm –3 ). Here, we conclude that the proposed experiments are likely to generate photoionization fronts.

79 ASTRONOMY AND ASTROPHYSICS↗

Particle-in-cell based parameter study of 12-cavity, 12-cathode rising-sun relativistic magnetrons for improved performance

Particle-in-cell simulations are performed to analyze the efficiency, output power and leakage currents in a 12-Cavity, 12-Cathode rising-sun magnetron with diffraction output (MDO). The central goal is to conduct a parameter study of a rising-sun magnetron that comprehensively incorporates performance enhancing features such as transparent cathodes, axial extraction, the use of endcaps, and cathode extensions. Our optimum results demonstrate peak output power of about 2.1 GW, with efficiencies of ∼70% and low leakage currents at a magnetic field of 0.45 Tesla, a 400 kV bias with a single endcap, for a range of cathode extensions between 3 and 6 centimeters.

36 MATERIALS SCIENCE↗

Parameter Study of the Running-In Process for the Generic Pebble Bed Reactor (GPBR200)

The run-in period of a pebble bed reactor is complex and difficult to model given significant heterogeneity in core composition, power, and temperature. While it is understood that the initial composition of the core should eventually result in the same equilibrium core composition, the approach to equilibrium can vary significantly depending on factors such as start-up fuel enrichment and power ramp rate. To explore this, a high-fidelity model of the General Pebble Bed Reactor was used to vary power ramp schemes and start-up core compositions. It was found that both the initial core composition and power ramp rate had a significant impact on the flow rate of pebbles during early time steps, with higher ramp rates and low enrichment resulting in non-physical flow rates. Power ramp rate alone was found to dictated maximum pebble power peaking observed during the run-in process, with higher ramp rates resulting in greater peak pebble powers. Start-up fuel enrichment and power ramp were found to both impact total fuel consumption, although the impact of start-up fuel enrichment was generally secondary to ramp rate.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

Parameter study of a Kinetic Phase Transition model

We investigate the ability of the two model parameters in the Kinetic Phase Transition (KPT) model of Carl Greeff to describe phase transitions of various types when combined with the tin Equation of states for the phases, SESAME 2162. While the two parameters are correlated, one combination can be associated with the nucleation process giving rise to the hysteresis seen in phase transition paths in pressure-temperature space and another can be associated with the overall timescale of the transition. We acknowledge the desire to have a model where the parameters are more independent of each other for easier model parameter determination.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

An experimental process parameter study on the identification of defects in additively fabricated Al6061 with laser powder bed fusion

Additively fabricated metal parts using laser powder bed fusion (L-PBF) possess sophisticated morphology due to the recurrent use of laser-induced metal powder melting and solidification. The surface and 3D morphology of these parts often include defects in the form of protrusions, depressions, pores, voids, keyholes, or cracks that are known to be influenced by laser scanning paths and layer-to-layer processing. Such inconsistent part quality hampers the extensive adoption of L-PBF. Pores and cracks are detrimental to the fatigue life of the parts and components. Quantifying and controlling part defects and optimizing processing and scanning strategy parameters adaptively in real-time through in situ monitoring systems are highly desired. This study investigates the optimization of experimental process parameters (power, scan velocity, and hatch spacing) and their effects on the cracking and porosity of Al6061 alloy using machine learning techniques. Multi-objective optimization is formulated and conducted to determine the L-PBF parameters that minimize both porosity and crack densities.

36 MATERIALS SCIENCE↗

Multidimensional Parameter Study of Double Detonation Type Ia Supernovae Originating from Thin Helium Shell White Dwarfs

Despite the importance of Type Ia supernovae (SNe Ia) throughout astronomy, the precise progenitor systems and explosion mechanisms that drive SNe Ia are still unknown. An explosion scenario that has gained traction recently is double detonation, in which an accreted shell of He detonates and triggers a secondary detonation in the underlying white dwarf. Our research presents a number of high-resolution, multidimensional, full-star simulations of thin-He-shell, sub-Chandrasekhar-mass white dwarf progenitors that undergo a double detonation. This suite of thin-shell progenitors incorporates He shells that are thinner than those in previous multidimensional studies. We confirm the viability of the double detonation across a range of He-shell parameter space, as well as present bulk yields and ejecta profiles for each progenitor. The yields obtained are generally consistent with previous works and indicate the likelihood of producing observables that resemble SNe Ia. The dimensionality of our simulations allow us to examine features of the double detonation more closely, including the details of the off-center secondary ignition and asymmetric ejecta. We find considerable differences in the high-velocity extent of postdetonation products across different lines of sight. The data from this work will be used to generate predicted observables and may further support the viability of the double detonation scenario as an SN Ia channel, as well as show how the properties of the progenitor or viewing angle may influence trends in observable characteristics.

79 ASTRONOMY AND ASTROPHYSICS↗

A PARAMETER STUDY FOR BAROCLINIC VORTEX AMPLIFICATION

Recent studies have shown that baroclinic vortex amplification is strongly dependent on certain factors, namely, the global entropy gradient, the efficiency of thermal diffusion and/or relaxation as well as numerical resolution. We conduct a comprehensive study of a broad range and combination of various entropy gradients, thermal diffusion and thermal relaxation timescales via local shearing sheet simulations covering the parameter space relevant for protoplanetary disks. We measure the Reynolds stresses as a function of our control parameters and see that there is angular momentum transport even for entropy gradients as low as {beta} = -dln s/dln r = 1/2. Values we expect in protoplanetary disks are between {beta} = 0.5-2.0 The amplification-rate of the perturbations, {Gamma}, appears to be proportional to {beta}{sup 2} and thus proportional to the square of the Brunt-Vaeisaelae frequency ({Gamma}{proportional_to}{beta}{sup 2}{proportional_to}N {sup 2}). The saturation level of Reynolds stresses, on the other hand, seems to be proportional to {beta}{sup 1/2}. This highlights the importance of baroclinic effects even for the low entropy gradients expected in protoplanetary disks.

79 ASTRONOMY AND ASTROPHYSICS↗

A Parameter Study for Modeling Mg ii h and k Emission during Solar Flares

Solar flares show highly unusual spectra in which the thermodynamic conditions of the solar atmosphere are encoded. Current models are unable to fully reproduce the spectroscopic flare observations, especially the single-peaked spectral profiles of the Mg ii h and k lines. We aim to understand the formation of the chromospheric and optically thick Mg ii h and k lines in flares through radiative transfer calculations. We take a flare atmosphere obtained from a simulation with the radiative hydrodynamic code RADYN as input for a radiative transfer modeling with the RH code. By iteratively changing this model atmosphere and varying thermodynamic parameters such as temperature, electron density, and velocity, we study their effects on the emergent intensity spectra. We reproduce the typical single-peaked Mg ii h and k flare spectral shape and approximate the intensity ratios to the subordinate Mg ii lines by increasing either densities, temperatures, or velocities at the line core formation height range. Additionally, by combining unresolved upflows and downflows up to ∼250 km s{sup −1} within one resolution element, we reproduce the widely broadened line wings. While we cannot unambiguously determine which mechanism dominates in flares, future modeling efforts should investigate unresolved components, additional heat dissipation, larger velocities, and higher densities and combine the analysis of multiple spectral lines.

79 ASTRONOMY AND ASTROPHYSICS↗

Strategies for automatic online treatment plan reoptimization using clinical treatment planning system: A planning parameters study

Purpose: Adaptive radiation therapy for prostate cancer using online reoptimization provides an improved control of interfractional anatomy variations. However, the clinical implementation of online reoptimization is currently limited by the low efficiency of current strategies and the difficulties associated with integration into the current treatment planning system. This study investigates the strategies for performing fast (∼2 min) automatic online reoptimization with a clinical fluence-map-based treatment planning system; and explores the performance with different input parameters settings: dose-volume histogram (DVH) objective settings, starting stage, and iteration number (in the context of real time planning).Methods: Simulated treatments of 10 patients were reoptimized daily for the first week of treatment (5 fractions) using 12 different combinations of optimization strategies. Options for objective settings included guideline-based RTOG objectives, patient-specific objectives based on anatomy on the planning CT, and daily-CBCT anatomy-based objectives adapted from planning CT objectives. Options for starting stages involved starting reoptimization with and without the original plan's fluence map. Options for iteration numbers were 50 and 100. The adapted plans were then analyzed by statistical modeling, and compared both in terms of dosimetry and delivery efficiency.Results: All online reoptimized plans were finished within ∼2 min with excellent coverage and conformity to the daily target. The three input parameters, i.e., DVH objectives, starting stage, and iteration number, contributed to the outcome of optimization nearly independently. Patient-specific objectives generally provided better OAR sparing compared to guideline-based objectives. The benefit in high-dose sparing from incorporating daily anatomy into objective settings was positively correlated with the relative change in OAR volumes from planning CT to daily CBCT. The use of the original plan fluence map as the starting stage reduced OAR dose at the mid-dose region, but increased the monitor units by 17%. Differences of only 2cc or less in OAR V50%/V70Gy/V76Gy were observed between 100 and 50 iterations.Conclusions: It is feasible to perform automatic online reoptimization in ∼2 min using a clinical treatment planning system. Selecting optimal sets of input parameters is the key to achieving high quality reoptimized plans, and should be based on the individual patient's daily anatomy, delivery efficiency, and time allowed for plan adaptation.

61 RADIATION PROTECTION AND DOSIMETRY↗

Parameters study on the growth of GaAs nanowires on indium tin oxide by metal-organic chemical vapor deposition

After successful demonstration of GaAs nanowire (NW) epitaxial growth on indium tin oxide (ITO) by metal organic chemical vapor deposition, we systematically investigate the effect of growth parameters' effect on the GaAs NW, including temperature, precursor molar flow rates, growth time, and Au catalyst size. 40 nm induced GaAs NWs are observed with zinc-blende structure. Based on vapor-liquid-solid mechanism, a kinetic model is used to deepen our understanding of the incorporation of growth species and the role of various growth parameters in tuning the GaAs NW growth rate. Thermally activated behavior has been investigated by variation of growth temperature. Activation energies of 40 nm Au catalyst induced NWs are calculated at different trimethylgallium (TMGa) molar flow rates about 65 kJ/mol. The GaAs NWs growth rates increase with TMGa molar flow rates whereas the growth rates are almost independent of growth time. Due to Gibbs-Thomson effect, the GaAs NW growth rates increase with Au nanoparticle size at different temperatures. Critical radius is calculated as 2.14 nm at the growth condition of 430 °C and 1.36 μmol/s TMGa flow rate. It is also proved experimentally that Au nanoparticle below the critical radius such as 2 nm cannot initiate the growth of NWs on ITO. This theoretical and experimental growth parameters investigation enables great controllability over GaAs NWs grown on transparent conductive substrate where the methodology can be expanded to other III–V material NWs and is critical for potential hybrid solar cell application.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Preliminary parameter studies to form pellets of hard materials for optical constants derived via single-angle reflectance spectroscopy

Infrared reflectance spectra can be influenced by many factors: the substrate and the thickness of the layer for liquids and the surface micromorphology, the form (powder, crystal) and the particle size for solids. All these parameters can play a role in the appearance of the measured spectrum. To avoid collecting multitudes of spectra to cover all such scenarios, the optical constants n and k, which are intrinsic properties of a material, can instead be used to model the reflectance spectrum. For solids, two techniques are often used to derive optical constants: ellipsometry and single-angle reflectance spectroscopy. For both methods, best results are usually obtained from single crystals. We have recently demonstrated for ammonium sulfate (a relatively soft material) that by optimizing certain conditions, high quality pellets with specularly reflective surfaces can be used in lieu of crystals. This was confirmed by the excellent agreement between the optical constants derived by these two methods. This work focuses on the possible extension of these methods to harder materials, starting with sodium sulfate. The first goal is to see if high quality pellet surfaces can be obtained as for ammonium sulfate. The reflectance values and the associated optical constants can also be obtained.

Diaz, Emmanuela↗

Electropolishing parameters study for surface smoothening of low-$\beta$650 MHz five-cell niobium superconducting radio frequency cavity

Electropolishing (EP) is applied to niobium (Nb) superconducting radio frequency (SRF) cavities, which are used in particle accelerators for their surface treatment. The EP process for 1.3 GHz cavities has been extensively studied earlier. In this work, a parametric study on EP of low-β (0.61) 650 MHz Nb SRF cavities (LB650), which will be used in pre-production cryomodule for proton improvement plan-II (PIP-II) linear accelerator, was conducted to determine adequate EP conditions for attaining a smooth surface of the cavities. EP performed with the standard parameters and an initial cathode (cathode-I) having a cathode surface area of ~5% of the cavity surface area yielded a rough equator surface of the cavity. The grain step height on the equator weld position was measured to be ~ 32 μm. The rough surface was attributed to preferential grain etching confirmed by a polarization curve showing a linear relationship between the EP current and voltage and the absence of the current plateau region. The cathode was modified to make its surface area twice that of cathode-I. The modified cathode (cathode-M) provided a current plateau region in the corresponding I-V curves measured at different cavity temperatures. The onset voltage for the plateau was found to be higher at higher cavity temperatures. Here this study revealed that even with cathode-M, the standard 18 V was low for EP of such large-sized cavities when the cavity temperature was 18 °C. EP performed at a higher voltage of 22–24.5 V with cathode-M yielded a smooth surface with a grain step height of only 0.6 μm. The applied EP conditions also improved removal uniformity along the cavity length. In contrast to the cavity treated with cathode-I, the cavities treated with cathode-M achieved a significantly higher accelerating gradient (E acc ) in vertical tests conducted in a cryostat at 2 K. The modified EP was found efficient to produce the cavities that achieved E acc of 22.4 MV/m, required by PIP II project in the baseline RF tests, to qualify for further surface processing used to enhance their quality factors.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Catalyst Residence Time Distributions in Riser Reactors for Catalytic Fast Pyrolysis. Part 2: Pilot-Scale Simulations and Operational Parameter Study

Here, wsing the validated simulation model developed in part one of this study for biomass catalytic fast pyrolysis (CFP), we assess the functional utility of using this validated model to assist in the development of CFP processes in fluidized catalytic cracking (FCC) reactors to a commercially viable state. Specifically, we examine the effects of mass flow rates, boundary conditions (BCs), pyrolysis vapor molecular weight variation, and the impact of the chemical cracking kinetics on the catalyst residence times. The factors that had the largest impact on the catalyst residence time included the feed stock molecular weight and the degree of chemical cracking as controlled by the catalyst activity. Lastly, because FCC reactors have primarily been developed and utilized for petroleum cracking, we perform a comparison analysis of CFP with petroleum and show the operating regimes are fundamentally different.

09 BIOMASS FUELS↗