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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 217 records · Page 12

SU-E-T-323: Dosimetric Evaluation of Small Fields for SBRT Treatment

Purpose: Stereotactic body radiation therapy (SBRT) is commonly employed to treat small targets for effective tumor control with radiation beams of small field sizes. The goal of this work was to evaluate dosimetrically a treatment planning system (TPS) by comparing the calculated dose for SBRT treatment with ion-chamber measurements. Methods: 3D images of a solid-water phantom with a pinpoint ion-chamber (0.015cm3) inside were acquired with a CT scanner. Active volume of the ion-chamber was delineated on CT images. Targets with a diameter of 1.5cm, 2cm, 3cm, 4cm and 5cm were drawn around the chamber. 3DCRT plans were generated for each target size with centrally opened 6MV beams and off-axis beams by changing the isocenter location, respectively, using a TPS with the Analytical Anisotropic Algorithm. A 21iX linear accelerator was employed for plan delivery. The measured and calculated doses were compared. To evaluate the dose calculations in heterogeneity for small fields SBRT treatment, similar plans were also generated and delivered on a heterogeneous thoracic phantom for 5 different size targets in the lung. Results: Dose comparisons between measurements and calculations showed 5.2%, 1.88%, 1.34%, 1.01% and 0.85% difference for SBRT plans with small central axis beams and 0.96%, 0.15%, 0.58%, 0.22% and 0.77% difference for plans with off-axis beams for five different size targets. For the thoracic phantom, the differences on dose between measurements and calculations are bigger, which are 8%, 5.9%, 4.5%, 3.9% and 4.5%, respectively. Conclusion: Dose verification for small fields used in the SBRT treatment has been performed based on ion-chamber measurements in both homogenous and heterogeneous phantoms. More than a 5% difference has been observed in the heterogeneous phantom, especially for very small fields. To meet the ICRU recommendation on a dose difference of no more than 5%, some corrections on the commissioning parameters of the TPS are needed.

60 APPLIED LIFE SCIENCES↗

Modifying the Asynchronous Jacobi Method for Data Corruption Resilience

Moving scientific computation from high-performance computing (HPC) and cloud computing (CC) environments to devices on the edge, i.e., physically near instruments of interest, has received tremendous interest in recent years. Such edge computing environments can operate on data in situ, offering enticing benefits over data aggregation to HPC and CC facilities that include avoiding costs of transmission, increased data privacy, and real-time data analysis. Because of the inherent unreliability of edge computing environments, new fault-tolerant approaches must be developed before the benefits of edge computing can be realized. Motivated by algorithm-based fault tolerance, a variant of the asynchronous Jacobi (ASJ) method is developed that achieves resilience to data corruption by rejecting solution approximations from neighbor devices according to a bound derived from convergence theory. Numerical results on a two-dimensional Poisson problem show that the new rejection criterion, along with a novel approximation to the shortest path length on which the criterion depends, restores convergence for the ASJ variant in the presence of certain types data corruption. Numerical results are obtained for when the singular values in the analytic bound are approximated. Additional linear systems are also explored, one with a more dense sparsity pattern and one that includes advection. All results indicate that successful resilience to data corruption depends on whether the bound tightens fast enough to reject corrupted data before the iteration evolution deviates significantly from that predicted by the convergence theory defining the bound. This observation generalizes to future work on algorithm-based fault tolerance for other asynchronous algorithms, including upcoming approaches that leverage Krylov subspaces.

97 MATHEMATICS AND COMPUTING↗

Efficient simulation and model reformulation of two-dimensional electrochemical thermal behavior of lithium-ion batteries

Lithium-ion batteries are an important technology to facilitate efficient energy storage and enable a shift from petroleum based energy to more environmentally benign sources. Such systems can be utilized most efficiently if good understanding of performance can be achieved for a range of operating conditions. Mathematical models can be useful to predict battery behavior to allow for optimization of design and control. An analytical solution is ideally preferred to solve the equations of a mathematical model, as it eliminates the error that arises when using numerical techniques and is usually computationally cheap. An analytical solution provides insight into the behavior of the system and also explicitly shows the effects of different parameters on the behavior. However, most engineering models, including the majority of battery models, cannot be solved analytically due to non-linearities in the equations and state dependent transport and kinetic parameters. The numerical method used to solve the system of equations describing a battery operation can have a significant impact on the computational cost of the simulation. In this paper, a model reformulation of the porous electrode pseudo three dimensional (P3D) which significantly reduces the computational cost of lithium ion battery simulation, while maintaining high accuracy, is discussed. This reformulation enables the use of the P3D model into applications that would otherwise be too computationally expensive to justify its use, such as online control, optimization, and parameter estimation. Furthermore, the P3D model has proven to be robust enough to allow for the inclusion of additional physical phenomena as understanding improves. In this study, the reformulated model is used to allow for more complicated physical phenomena to be considered for study, including thermal effects.

25 ENERGY STORAGE↗

Heart Shape to Fracture Distance: Characterizing Hydraulic Fracture Propagation before Hits

Estimating the distance from the hydraulic fracture tip to the monitor well can be useful for fracture characterization, well spacing optimization, and preventing parent-child well interference. A heart-shaped signal is referred to as the extensional precursor of a fracture hit recorded by crosswell strain measurements and can serve as a vital tool for such estimation. This study incorporates the 3D displacement discontinuity method (DDM) to understand the impact of fracture geometry and monitor well offset on the heart-shaped signal’s characteristics. Results from numerical simulation and analytical solutions reveal a strong linear correlation between the spatial extent of the heart-shaped signal and the fracture tip distance. This relationship was further developed to predict tip distance using field data from the Hydraulic Fracture Test Site 2 (HFTS2). A reasonable approximation result from field data further validates the methodology. In addition, it is worth noting that the estimation accuracy depends on the ratio between fracture dimension and tip distance. The findings of this study offer a novel approach for real-time monitoring and characterizing hydraulic fracture propagation, which can be further used for well spacing optimization in unconventional and enhanced geothermal system reservoir development, as well as caprock integrity monitoring for carbon sequestration projects.

58 GEOSCIENCES↗

Detection and Characterization of Underground Facilities by Stochastic Inversion and Modeling of Data from the New Generation of Synthetic Aperture Satellites (Final Report)

Many clandestine development and production activities can be conducted underground to evade surveillance. The purpose of the study reported here was to develop a technique to detect underground facilities by broad-area search and then to characterize the facilities by inversion of the collected data. This would enable constraints to be placed on the types of activities that would be feasible at each underground site, providing a basis the design of targeted surveillance and analysis for more complete characterization. Excavation of underground cavities causes deformation in the host material and overburden that produces displacements at the ground surface. Such displacements are often measurable by a variety of surveying or geodetic techniques. One measurement technique, Interferometric Synthetic Aperture Radar (InSAR), uses data from satellite-borne (or airborne) synthetic aperture radars (SARs) and so is ideal for detecting and measuring surface displacements in denied access regions. Depending on the radar frequency and the acquisition mode and the surface conditions, displacement maps derived from SAR interferograms can provide millimeter- to centimeter-level measurement accuracy on regional and local scales at spatial resolution of {approx}1-10 m. Relatively low-resolution ({approx}20 m, say) maps covering large regions can be used for broad-area detection, while finer resolutions ({approx}1 m) can be used to image details of displacement fields over targeted small areas. Surface displacements are generally expected to be largest during or a relatively short time after active excavation, but, depending on the material properties, measurable displacement may continue at a decreasing rate for a considerable time after completion. For a given excavated volume in a given geological setting, the amplitude of the surface displacements decreases as the depth of excavation increases, while the area of the discernable displacement pattern increases. Therefore, the ability to detect evidence for an underground facility using InSAR depends on the displacement sensitivity and spatial resolution of the interferogram, as well as on the size and depth of the facility and the time since its completion. The methodology development described in this report focuses on the exploitation of synthetic aperture radar data that are available commercially from a number of satellite missions. Development of the method involves three components: (1) Evaluation of the capability of InSAR to detect and characterize underground facilities ; (2) inversion of InSAR data to infer the location, depth, shape and volume of a subsurface facility; and (3) evaluation and selection of suitable geomechanical forward models to use in the inversion. We adapted LLNL's general-purpose Bayesian Markov Chain-Monte Carlo procedure, the 'Stochastic Engine' (SE), to carry out inversions to characterize subsurface void geometries. The SE performs forward simulations for a large number of trial source models to identify the set of models that are consistent with the observations and prior constraints. The inverse solution produced by this kind of stochastic method is a posterior probability density function (pdf) over alternative models, which forms an appropriate input to risk-based decision analyses to evaluate subsequent response strategies. One major advantage of a stochastic inversion approach is its ability to deal with complex, non-linear forward models employing empirical, analytical or numerical methods. However, while a geomechanical model must incorporate adequate physics to enable sufficiently accurate prediction of surface displacements, it must also be computationally fast enough to render the large number of forward realizations needed in stochastic inversion feasible. This latter requirement prompted us first to investigate computationally efficient empirical relations and closed-form analytical solutions. However, our evaluation revealed severe limitations in the ability of existing empirical and analytical forms to predict deformations from underground cavities with an accuracy consistent with the potential resolution and precision of InSAR data. We followed two approaches to overcoming these limitations. The first was to develop a new analytical solution for a 3D cavity excavated in an elastic half-space. The second was to adapt a fast parallelized finite element method to the SE and evaluate the feasibility of using in the stochastic inversion. To date we have demonstrated the ability of InSAR to detect underground facilities and measure the associated surface displacements by mapping surface deformations that track the excavation of the Los Angeles Metro system. The Stochastic Engine implementation has been completed and undergone functional testing.

58 GEOSCIENCES↗

DPC Disposal Thermal Scoping Analysis

This is a progress report on thermal modeling for dual-purpose canister (DPCs) direct disposal that covers several available calculation methods and addresses creep and temperature-dependent properties in a salt repository. Three modeling approaches are demonstrated: A semi-analytical calculation method that uses linear solutions with superposition and imaging, to represent a central waste package in a larger array; A finite difference model of coupled thermal creep, implemented in FLAC2D; and An integrated finite difference thermal-hydrologic modeling approach for repositories in different generic host media, implemented in PFLOTRAN. These approaches are at different levels of maturity, and future work is expected to add refinements and establish the best applications for each.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Characterizing Hydraulic Fracture Propagation Before Fracture Hits

Estimating the distance from hydraulic fracture tip to monitor well can be very useful for fracture characterization, well spacing optimization, and preventing parent-child well interference. Heart-shape signal is referred to as the extensional precursor of fracture hit recorded by cross-well strain measurements and can be served as a vital tool to make such estimation. This study incorporates the 3D Displacement Discontinuity Method to understand the impact of fracture geometry and monitor well offset on the heart-shape signal’s characteristics. Results from numerical simulation and analytical solutions reveal a strong linear correlation between the spatial extent of heart shape signal and fracture tip distance. This relationship was further developed to predict tip distance using field data from the Hydraulic Fracture Test Site 2. A reasonable approximation result from field data further validates the methodology. In addition, it is worth noting that the estimation accuracy depends on the ratio between fracture dimension and tip distance. The findings of this study offer a novel approach for real-time monitoring and characterizing hydraulic fracture propagation, which can be further used for well spacing optimization in unconventional and Enhanced Geothermal System reservoir development, as well as cap rock integrity monitoring for carbon sequestration projects.

Jin, Ge↗

Comparative Evaluation of U.S. Brand and Generic Intravenous Sodium Ferric Gluconate Complex in Sucrose Injection: Biodistribution after Intravenous Dosing in Rats

Relative biodistribution of FDA-approved innovator and generic sodium ferric gluconate (SFG) drug products was investigated to identify differences in tissue distribution of iron after intravenous dosing to rats. Three equal cohorts of 42 male Sprague-Dawley rats were created with each cohort receiving one of three treatments: (1) the innovator SFG product dosed intravenously at a concentration of 40 mg/kg; (2) the generic SFG product dosed intravenously at a concentration of 40 mg/kg; (3) saline dosed intravenously at equivalent volume to SFG products. Sampling time points were 15 min, 1 h, 8 h, 1 week, two weeks, four weeks, and six weeks post-treatment. Six rats from each group were sacrificed at each time point. Serum, femoral bone marrow, lungs, brain, heart, kidneys, liver, and spleen were harvested and evaluated for total iron concentration by ICP-MS. The ICP-MS analytical method was validated with linearity, range, accuracy, and precision. Results were determined for mean iron concentrations (µg/g) and mean total iron (whole tissue) content (µg/tissue) for each tissue of all groups at each time point. A percent of total distribution to each tissue was calculated for both products. At any given time point, the overall percent iron concentration distribution did not vary between the two SFG drugs by more than 7% in any tissue. Overall, this study demonstrated similar tissue biodistribution for the two SFG products in the examined tissues.

59 BASIC BIOLOGICAL SCIENCES↗

Neutronics and Depletion Methods for Parametric Studies of Fluoride Salt Cooled High Temperature Reactors with Slab Fuel Geometry and Multi-Batch Fuel Management Schemes

The Advanced High Temperature Reactor (AHTR) is a 3400 MWth fluoride salt cooled high temperature reactor (FHR) that uses TRISO particle fuel compacted into slabs rather than spherical fuel pebbles or cylindrical fuel compacts. Simplified methods are required for parametric design studies such that analyzing the entire feasible design space for an AHTR is tractable. These simplifications include fuel homogenization techniques to increase the speed of neutron transport calculations in depletion analysis and equilibrium depletion analysis methods to analyze systems with multi-batch fuel management schemes. This paper presents three elements of significant novelty. First, the reactivity-equivalent physical transformation (RPT) methodology usually applied in systems with coated particle fuel in cylindrical and spherical geometries was extended to slab geometries. Secondly, based on this newly developed RPT method for slab geometries, a methodology that uses Monte Carlo depletion approaches was further developed to search for the maximum discharge burnup in a multi-batch system by iteratively estimating the beginning of equilibrium cycle composition and sampling different discharge burnups. This iterative equilibrium depletion search (IEDS) method fully defines an equilibrium fuel cycle (keff, power, flux and composition evolutions across space and time), but is computationally demanding, although feasible on single-processor workstations. Finally, an analytical method, the non-linear reactivity model, was developed by expanding the linear reactivity model to include an arbitrary number of higher order terms to extrapolate single-batch depletion results to estimate the maximum discharge burnup and BOEC keff in systems with multi-batch fuel management schemes. Results from this method were benchmarked against equilibrium depletion analysis results using the IEDS.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Neutronics and Depletion Methods for Parametric Studies of Fluoride Salt Cooled High Temperature Reactors with Slab Fuel Geometry and Multi-Batch Fuel Management Schemes

The Advanced High-Temperature Reactor (AHTR) is a 3400 MWth fluoride-salt-cooled high-temperature reactor (FHR) that uses TRISO particle fuel compacted into slabs rather than spherical or cylindrical fuel compacts. Simplified methods are required for parametric design studies such that analyzing the entire feasible design space for an AHTR is tractable. These simplifications include fuel homogenization techniques to increase the speed of neutron transport calculations in depletion analysis and equilibrium depletion analysis methods to analyze systems with multi-batch fuel management schemes. This paper presents three elements of significant novelty. First, the Reactivity-Equivalent Physical Transformation (RPT) methodology usually applied in systems with coated-particle fuel in cylindrical and spherical geometries has been extended to slab geometries. Secondly, based on this newly developed RPT method for slab geometries, a methodology that uses Monte Carlo depletion approaches was further developed to search for the maximum discharge burnup in a multi-batch system by iteratively estimating the beginning of equilibrium cycle (BOEC) composition and sampling different discharge burnups. This Iterative Equilibrium Depletion Search (IEDS) method fully defines an equilibrium fuel cycle (keff, power, flux, and composition evolutions) but is computationally demanding, although feasible on single-processor workstations. Finally, an analytical method, the Non-Linear Reactivity Model, was developed by expanding the linear reactivity model to include an arbitrary number of higher order terms so that single-batch depletion results could be extrapolated to estimate the maximum discharge burnup and BOEC keff in systems with multi-batch fuel management schemes. Results from this method were benchmarked against equilibrium depletion analysis results using the IEDS.

fluoride-salt-cooled high-temperature reactor (FHR↗

Hydrodynamic Design Optimization and Wave Tank Testing of a Self-Reacting Two-Body Wave Energy Converter

As worldwide energy consumption continues to increase, so does the demand for renewable energy sources. The total available wave energy resource for the United States alone is 2,640 TWh/yr; nearly two thirds of the 4,000 TWh of electricity used in the United States each year. It is estimated that nearly half of that available energy is recoverable through wave energy conversion techniques. In this thesis, a two-body ‘point absorber’ type wave energy converter with a mechanical power-takeoff is investigated. The two-body wave energy converter extracts energy through the relative motion of a floating buoy and a neutrally buoyant submerged body. Using a linear frequency-domain model, analytical solutions of the optimal power and the corresponding power-takeoff components are derived for the two-body wave energy converter. Using these solutions, a case study is conducted to investigate the influence of the submerged body size on the absorbed power of the device in regular and irregular waves. Here it is found that an optimal mass ratio between the submerged body and floating buoy exists where the device will achieve resonance. Furthermore, a case study to investigate the influence of the submerged body shape on the absorbed power is conducted using a time-domain numerical model. Here it is found that the submerged body should be designed to reduce the effects of drag, but to maintain relatively large hydrodynamic added mass and excitation force. To validate the analytical and numerical models, a 1/30th scale model of a two-body wave energy converter is tested in a wave tank. The results of the wave tank tests show that the two-body wave energy converter can absorb nearly twice the energy of a single-body ‘point absorber’ type wave energy converter.

16 TIDAL AND WAVE POWER↗

Solvent effects in time-dependent self-consistent field methods. II. Variational formulations and analytical gradients

This study describes variational energy expressions and analytical excited state energy gradients for time-dependent self-consistent field methods with polarizable solvent effects. Linear response, vertical excitation, and state-specific solventmodels are examined. Enforcing a variational ground stateenergy expression in the state-specific model is found to reduce it to the vertical excitation model. Variational excited state energy expressions are then provided for the linear response and vertical excitation models and analytical gradients are formulated. Using semiempiricalmodel chemistry, the variational expressions are verified by numerical and analytical differentiation with respect to a static external electric field. Lastly, analytical gradients are further tested by performing microcanonical excited state molecular dynamics with p-nitroaniline.

74 ATOMIC AND MOLECULAR PHYSICS↗

Signal, Noise and Resolution in Linear and Nonlinear Structured-Illumination Microscopy

Structured-illumination microscopy allows widefield fluorescence imaging with resolution beyond the classical diffraction limit. Its linear form extends resolution by a factor of two, and its nonlinear form by an in-principle infinite factor, the effective resolution in practice being determined by noise. In this article, we analyze the noise properties and achievable resolution of the method from a frequency-space perspective. We develop an analytical theory for a general case of linear or nonlinear fluorescent imaging, and verify the analytical calculations with numerical simulation for a special case where nonlinearity is produced by photo-switching of fluorescent labels. We compare the performance of two alternative implementations, using either two-dimensional illumination patterns or sequentially rotated one-dimensional patterns. We show that one-dimensional patterns are advantageous in the linear case, and that in the nonlinear case two-dimensional patterns provide a slight signal-to-noise advantage under idealized conditions, but perform worse than one-dimensional patterns in the presence of non-switchable fluorescent background.

99 GENERAL AND MISCELLANEOUS↗

A Rayleighian approach for modeling kinetics of ionic transport in polymeric media

Here, we report a theoretical approach for analyzing impedance of ionic liquids (ILs) and charged polymers such as polymerized ionic liquids (PolyILs) within linear response. The approach is based on the Rayleigh dissipation function formalism, which provides a computational framework for a systematic study of various factors, including polymer dynamics, in affecting the impedance. We present an analytical expression for the impedance within linear response by constructing a one-dimensional model for ionic transport in ILs/PolyILs. This expression is used to extract mutual diffusion constants, the length scale of mutual diffusion, and thicknesses of a low-dielectric layer on the electrodes from the broadband dielectric spectroscopy (BDS) measurements done for an IL and three PolyILs. Also, static dielectric permittivities of the IL and the PolyILs are determined. The extracted mutual diffusion constants are compared with the self diffusion constants of ions measured using pulse field gradient (PFG) fluorine nuclear magnetic resonance (NMR). For the first time, excellent agreements between the diffusivities extracted from the Electrode Polarization spectra (EPS) of IL/PolyILs and those measured using the PFG-NMR are found, which allows the use of the EPS and the PFG-NMR techniques in a complimentary manner for a general understanding of the ionic transport.

36 MATERIALS SCIENCE↗

Potential linear and angular momentum in the scalar diquark model

We present an analytic two-loop calculation within the scalar diquark model of the potential linear and angular momenta, defined as the difference between the Jaffe-Manohar and Ji notions of linear and angular momenta. As expected by parity and time-reversal symmetries, a direct calculation confirms that the potential transverse momentum coincides with the Jaffe-Manohar (or canonical) definition of average quark transverse momentum, also known as the quark Sivers shift. We examine whether initial/final-state interactions at the origin of the Sivers asymmetry can also generate a potential angular momentum in the scalar diquark model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Low-temperature magnetization relaxation in magnetic molecular solids

The low temperature relaxation of the magnetization in molecular magnetic solids such as Fe{sub 8} is studied using Monte Carlo simulations. A set of rate equations is then developed to understand the simulations, and the results are compared. The simulations show that the magnetization of an initially saturated sample deviates as a square-root in time at short times, as observed experimentally, and this law is derived from the rate equations analytically. -- Highlights: •A novel set of non-linear rate equations for the coupled evolution of the magnetization and dipole field distribution. •An analytic derivation of the short-time square root in time behavior of the magnetization relaxation. •Agreement between theory and simulations without further fitting parameters.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

THE POLARIZATION PROPERTIES OF INVERSE COMPTON EMISSION AND IMPLICATIONS FOR BLAZAR OBSERVATIONS WITH THE GEMS X-RAY POLARIMETER

NASA's Small Explorer Mission GEMS (Gravity and Extreme Magnetism SMEX), scheduled for launch in 2014, will have the sensitivity to detect and measure the linear polarization properties of the 0.5 keV and 2-10 keV X-ray emission of a considerable number of galactic and extragalactic sources. The prospect of sensitive X-ray polarimetry justifies a closer look at the polarization properties of the basic emission mechanisms. In this paper, we present analytical and numerical calculations of the linear polarization properties of inverse Compton scattered radiation. We describe a generally applicable formalism that can be used to numerically compute the polarization properties in the Thomson and Klein-Nishina regimes. We use the code to perform for the first time a detailed comparison of numerical results and the earlier analytical results derived by Bonometto et al. for scatterings in the Thomson regime. Furthermore, we use the numerical formalism to scrutinize the polarization properties of synchrotron self-Compton (SSC) emission, and of inverse Compton radiation emitted in the Klein-Nishina regime. We conclude with a discussion of the scientific potential of future GEMS observations of blazars. The GEMS mission will be able to confirm the synchrotron origin of the low-energy emission component from high-frequency-peaked BL Lac objects. Furthermore, the observations have the potential to decide between an SSC and external-Compton origin of the high-energy emission component from flat spectrum radio quasars and low-frequency-peaked BL Lac objects.

79 ASTRONOMY AND ASTROPHYSICS↗

High harmonic generation in underdense plasmas by intense laser pulses with orbital angular momentum

We study high harmonic generation produced by twisted laser pulses, with orbital angular momentum in the relativistic regime, for pulse propagation in underdense plasma. We consider fast time scale processes associated with an ultra-short pulse, where the ion motion can be neglected. We use both analytical models and numerical simulations using a relativistic particle-in-cell code. The present description is valid for relativistic laser intensities, when the normalized field amplitude is much larger than one, a ≫ 1. We also discuss two distinct processes associated with linear and circular polarization. Using both analytical solutions and particle-in-cell simulations, we are able to show that, for laser pulses in a well defined Laguerre-Gauss mode, angular momentum conservation is observed during the process of harmonic generation. Intensity modulation of the harmonic spectrum is also verified, as imposed by the nonlinear time-scale for energy transfer between different harmonics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗