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At least 541 records · Page 30

Three-dimensional structure of human serum albumin

The three-dimensional structure of human serum albumin has been solved at 6.0 A resolution by the method of multiple isomorphous replacement. Crystals were grown from solutions of polyethylene glycol in the infrequently observed space group P42(1)2 and diffracted X-rays to lattice d-spacings of less than 2.9 A. The electron density maps are of high quality and revealed the structure as a predominantly alpha-helical globin protein in which the course of the polypeptide can be traced. The binding loci of several organic compounds have been determined.

Carter, Daniel C.↗

Inference of surface power spectra from inversion of multifrequency polarimetric radar data

During the summer of 1988 an intensive field experiment was conducted in the vicinity of Pisgah lava field in the Mojave Desert. As part of the experiment, physical properties such as microtopography, composition, soil moisture, and dielectric constant at five different sites representing surfaces with rms heights varying from less than one centimeter to tens of centimeters were measured. In addition, polarimetric radar images at P-band, L-band and C-band were acquired at three different incidence angles with the NASA/JPL airborne imaging radar polarimeter. Using trihedral corner reflectors deployed in the area prior to imaging, the radar images were calibrated to provide values for each resolution element in each scene. This paper reports on the derivation of the power spectrum of surface microtopography by solution of the small perturbation model for multiple incidence angle and multiple frequency radar data. Power-law fits to the power spectra have exponents that are nearly the same for all surfaces. These values are close to those from measured microtopography profiles.

Van Zyl, Jacob J.↗

Ultrasonic modulus determination in composite media

A nondestructive test procedure for determining the elastic properties of anisotropic media is presented. The technique is based on transit time measurements for multiple angles of incidence and a numerical solution of the resulting coupled nonlinear equations for modulus determination. Methods for compensating for energy flux deviation from the wave normal and the resulting differences group and phase velocity are devised.

Kline, R. A.↗

Model for the computation of self-motion in biological systems

A technique is presented by which direction- and speed-tuned cells, such as those commonly found in the middle temporal region of the primate brain, can be utilized to analyze the patterns of retinal image motion that are generated during observer movement through the environment. The developed model determines heading by finding the peak response in a population of detectors or neurons each tuned to a particular heading direction. It is suggested that a complex interaction of multiple cell networks is required for the solution of the self-motion problem in the primate brain.

Perrone, John A.↗

Steady-State Computation of Constant Rotational Rate Dynamic Stability Derivatives

Dynamic stability derivatives are essential to predicting the open and closed loop performance, stability, and controllability of aircraft. Computational determination of constant-rate dynamic stability derivatives (derivatives of aircraft forces and moments with respect to constant rotational rates) is currently performed indirectly with finite differencing of multiple time-accurate computational fluid dynamics solutions. Typical time-accurate solutions require excessive amounts of computational time to complete. Formulating Navier-Stokes (N-S) equations in a rotating noninertial reference frame and applying an automatic differentiation tool to the modified code has the potential for directly computing these derivatives with a single, much faster steady-state calculation. The ability to rapidly determine static and dynamic stability derivatives by computational methods can benefit multidisciplinary design methodologies and reduce dependency on wind tunnel measurements. The CFL3D thin-layer N-S computational fluid dynamics code was modified for this study to allow calculations on complex three-dimensional configurations with constant rotation rate components in all three axes. These CFL3D modifications also have direct application to rotorcraft and turbomachinery analyses. The modified CFL3D steady-state calculation is a new capability that showed excellent agreement with results calculated by a similar formulation. The application of automatic differentiation to CFL3D allows the static stability and body-axis rate derivatives to be calculated quickly and exactly.

Park, Michael A.↗

Calibration and Application of Plume Radiation Code: PARRAD

The next generation of Reusable Launch Vehicle (RLV) design requires careful considerations towards Thermal Protection System (TPS) not only in the high-heating regions, also in the base region. The use of hydrocarbon based liquid propulsion engine and the construction, launch and operational cost limitations places a significant burden on the base region TPS design. The radiation from the rocket-plume is expected to dominate base heating during ascent. The objective of this paper is to evaluate the accuracy of a plume radiation modeling with the PARRAD code. The original PARRAD code has been modified to work with single and multiple /overset grids and plume-field solution generated by computational codes, such as GASP. These modifications will be detailed in the proposed paper. To establish accuracy, simulations of the Space Shuttle Main Engine nozzle were performed and the radiative heating predicted by PARRAD are compared with ground based measurements. These results and pertinent discussion of issues related to accuracy will be detailed. In addition, predictions for the X-34 RLV, yet to be performed, will be presented and the significance (or lack) of base heating due to plume radiation will be discussed.

Venkatapathy, Ethiraj↗

Space Transportation System Liftoff Debris Mitigation Process Overview

Liftoff debris is a top risk to the Space Shuttle Vehicle. To manage the Liftoff debris risk, the Space Shuttle Program created a team with in the Propulsion Systems Engineering & Integration Office. The Shutt le Liftoff Debris Team harnesses the Systems Engineering process to i dentify, assess, mitigate, and communicate the Liftoff debris risk. T he Liftoff Debris Team leverages off the technical knowledge and expe rtise of engineering groups across multiple NASA centers to integrate total system solutions. These solutions connect the hardware and ana lyses to identify and characterize debris sources and zones contribut ing to the Liftoff debris risk. The solutions incorporate analyses sp anning: the definition and modeling of natural and induced environmen ts; material characterizations; statistical trending analyses, imager y based trajectory analyses; debris transport analyses, and risk asse ssments. The verification and validation of these analyses are bound by conservative assumptions and anchored by testing and flight data. The Liftoff debris risk mitigation is managed through vigilant collab orative work between the Liftoff Debris Team and Launch Pad Operation s personnel and through the management of requirements, interfaces, r isk documentation, configurations, and technical data. Furthermore, o n day of launch, decision analysis is used to apply the wealth of ana lyses to case specific identified risks. This presentation describes how the Liftoff Debris Team applies Systems Engineering in their proce sses to mitigate risk and improve the safety of the Space Shuttle Veh icle.

Mitchell, Michael↗

Quantifying the Value of Grid-Interactive Efficient Buildings through Field Study: Preprint

Quantifying the annual energy impacts of efficient technologies in commercial buildings has been well established by the building science field. As we move toward enabling grid-interactive efficient buildings (GEB) targeting flexible building operation and carbon reduction, quantification methods to evaluate time-sensitive peak load and emissions impact are much less defined. A number of national laboratories are working to field validate four different GEB software solutions that provide the capability to control multiple building end-use systems in multiple load flexibility modes (i.e., energy efficiency, load shed, load shift, and possible load modulation at the second to sub-second level). To guide the laboratory leads in effective measurement and verification (M&V) practices, two of the laboratories collaborated to define metrics to quantify the impacts of flexible load control on building demand, utility costs, carbon emissions, facility management, and occupant comfort. This paper summarizes the proposed metrics to quantify peak load and emission impacts in the field, decision parameters, approaches to accurately conduct M&V, lessons learned, and outstanding needs and next steps.

ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION↗

Quantifying the Value of Grid-Interactive Efficient Buildings through Field Study

Quantifying the annual energy impacts of efficient technologies in commercial buildings has been well established by the building science field. As we move toward enabling grid-interactive efficient buildings (GEB) targeting flexible building operation and carbon reduction, quantification methods to evaluate time-sensitive peak load and emissions impact are much less defined. A number of national laboratories are working to field validate four different GEB software solutions that provide the capability to control multiple building end-use systems in multiple load flexibility modes (i.e., energy efficiency, load shed, load shift, and possible load modulation at the second to sub-second level). To guide the laboratory leads in effective measurement and verification (M&V) practices, two of the laboratories collaborated to define metrics to quantify the impacts of flexible load control on building demand, utility costs, carbon emissions, facility management, and occupant comfort. This paper summarizes the proposed metrics to quantify peak load and emission impacts in the field, decision parameters, approaches to accurately conduct M&V, lessons learned, and outstanding needs and next steps.

Langner, Rois↗

Novel Approaches and Technologies for Aging Management

As part of the application process for license renewal and subsequent license renewal, nuclear utilities must perform an evaluation to confirm that they have appropriately considered aging effects on plant structures, systems, components within the scope of the license renewal. This effort within the Light Water Reactor Sustainability program’s Risk-informed System Analysis pathway is focused on risk-informed and performance-based approaches for aging management of buried piping, specifically managing selective leaching degradation phenomena. Selective leaching is a commonly occurring aging and degradation mechanism in buried pipes at nuclear power plants. To better understand the extent of selective leaching and its effect on the health of buried components, the licensees currently rely on visual inspections and destructive examinations which require extraction of multiple buried components. This research explores technological solutions that may replace or supplement existing inefficient, costly, and labor-intensive methods used in aging management.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Multiple-gridding of the Euler equations with an implicit scheme

The multiple-grid scheme of Ni (1981) for the solution of the unsteady Euler equations for quasi-one-dimensional transonic flow problems is analyzed according to its ability to accelerate convergence to a steady state solution, its applicability to an implicit scheme, its accuracy, and its stability limits. This scheme is applied successfully to McCormack's (1981) implicit method of solving quasi-one-dimensional transonic flow problems for CFL numbers significantly greater than unity. It is determined that the second order accuracy of this implicit method is preserved by employing the multiple gridding. However, stability limitations that are flow dependent are introduced into the implicit method by the use of the multiple-grid scheme which will curtail its use under certain flow conditions. A scaling modification for the multiple grid scheme is developed which further improves its performance when used with explicit and artificially-damped implicit methods without any increase in computational work.

Stubbs, R. M.↗

Addressing Load Imbalance in Bioinformatics and Biomedical Applications: Efficient Scheduling across Multiple GPUs

Computational bioinformatics and biomedical applications frequently contain heterogeneously sized units of work or tasks, for instance due to variability in the sizes of biological sequences and molecules. Variable-sized workloads lead to load imbalances in parallel implementations which detract from efficiency and performance. Many modern computing resources now have multiple graphics processing units(GPUs) per computer for acceleration. These multiple GPU resources need to be used efficiently through balancing of workloads across the GPUs. OpenMP is a portable directive-based parallel programming API used ubiquitously in bioscience applications to program CPUs; recently, the use of OpenMP directives for GPU acceleration has become possible. Here, motivated by experiences with imbalanced loads in GPU-accelerated bioinformatics applications, we address the load balancing problem using OpenMP task-to-GPU scheduling combined with OpenMP GPU offloading for multiply heterogeneous workloads – loads with both variable input sizes, and simultaneously, variable convergence rates for algorithms with a stochastic component – scheduled across multiple GPUs. We aim to develop strategies which are both easy to use and have lower overheads, and may be incorporated incrementally in existing programs which already make use of OpenMP for CPU-based threading in order to make use of multi-GPU computers. We test different combinations of input size variability and convergence rate variability, and characterize the effects of these different scenarios on the performance of scheduling strategies across multiple GPUs with OpenMP. We present several dynamic scheduling solutions for different parallel patterns, explore optimizations, and provide publicly available example computational kernels to make these strategies easy to use in programs. This work will enable application developers to efficiently and easily use multiple GPUs for imbalanced workloads found in bioinformatics and biomedical applications.

Thavappiragasam, Mathialakan↗

Coupled Low-thrust Trajectory and System Optimization via Multi-Objective Hybrid Optimal Control

The optimization of low-thrust trajectories is tightly coupled with the spacecraft hardware. Trading trajectory characteristics with system parameters ton identify viable solutions and determine mission sensitivities across discrete hardware configurations is labor intensive. Local independent optimization runs can sample the design space, but a global exploration that resolves the relationships between the system variables across multiple objectives enables a full mapping of the optimal solution space. A multi-objective, hybrid optimal control algorithm is formulated using a multi-objective genetic algorithm as an outer loop systems optimizer around a global trajectory optimizer. The coupled problem is solved simultaneously to generate Pareto-optimal solutions in a single execution. The automated approach is demonstrated on two boulder return missions.

Spacecraft Systems↗

Single Grid Error Estimation for Neutron Transport Solvers

The method of nearby problems (MNP) is a solution verification technique that does not require the use of multiple spatial grids. To estimate spatial discretization error without requiring a high-fidelity spatial grid, an analytical curve fit is interpolated from the numerical solution. The residual between the curve fit solution and numerical solution is calculated and added as an additional source term to the governing equation. The nearby solution is estimated using the updated source term and boundary conditions to remain consistent with the curve fit interpolation. The nearby solution can be compared to the curve fit solution as a discretization error estimation while using a single spatial grid. Without the use of higher fidelity spatial grids, the MNP is able to approximate the spatial discretization error, a facet of solution verification. The application of the method of nearby problems is presented for one- and two-dimensional neutron transport problems for both fixed source and criticality problems on the spatial variable. The fixed source results demonstrate the effectiveness of nearby problems for spatial error identification using the discrete ordinates method. Criticality results are shown to identify area of high spatial error for the C5G7 problem as well as for the discrete ordinates solver. A novel approach of combining the capabilities of Monte Carlo with the discrete ordinates nearby problems is presented for one- and two-dimensional fixed source problems. In conclusion, the MNP demonstrates its effectiveness at identifying spatial error on a single structured grid with a wide variety of neutron transport problems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Interconnect and Packaging Technologies for Terahertz Communication Systems

Using newly developed silicon micromachining technology that enables low-loss and highly integrated packaging solutions, we are developing vertically stacked transmitters and receivers at terahertz frequencies that can be used for communication and other terahertz systems. Although there are multiple ways to address the problem of interconnect and packaging solutions at these frequencies, such as system-on-package (SOP), multi-chip modules (MCM), substrate integrated waveguide (SIW), liquid crystal polymer (LCP) based multilayer technologies, and others, we show that deep reactive ion etching (DRIE) based silicon micromachining with vertical integration allows the most effective solutions at terahertz frequencies.

Micromachining↗

Reducing the computational burden of a microgrid energy management system

As renewable technology advances and decreases in cost, microgrids are becoming an appealing means of distributed generation both for isolated communities and integrated with existing electrical grid systems. Due to their small size, however, microgrids may have financial limitations which preclude them from using commercial software to optimize control of their assets. Open-source optimization solvers are a viable alternative, but increase computation time. This work expands on a rolling horizon optimization framework for economic dispatch within an existing residential microgrid located in Hoover, Alabama. The microgrid has an open-source solver requirement and a need for quick solution time on a rolling horizon as opposed to a day-ahead commitment. We present a method of reducing integer variables by relaxation which completes two goals: reduction in computation time for real-time operations, and reduction in daily operational cost for the microgrid. Seasonal data for load and photovoltaic (PV) power was also collected from the microgrid to facilitate simulation testing. Computation time was successfully reduced using multiple variations of the relaxation method, while obtaining solution quality with operational cost similar to or better than the original model.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Vibration-translation energy transfer in anharmonic diatomic molecules. 2: The vibrational quantum number dependence

A semiclassical model of the inelastic collision between a vibrationally excited anharmonic oscillator and a structureless atom was used to predict the variation of thermally averaged vibration-translation rate coefficients with temperature and initial-state quantum number. Multiple oscillator states were included in a numerical solution for collinear encounters. The results are compared with CO-He experimental values for both ground and excited initial states using several simplified forms of the interaction potential. The numerical model was also used as a basis for evaluating several less complete but analytic models. Two computationally simple analytic approximations were found that successfully reproduced the numerical rate coefficients for a wide range of molecular properties and collision partners. Their limitations were also identified. The relative rates of multiple-quantum transitions from excited states were evaluated for several molecular types.

Mckenzie, R. L.↗

Vibration-translation energy transfer in anharmonic diatomic molecules. II - The vibrational quantum-number dependence

A semiclassical model of the inelastic collision between a vibrationally excited anharmonic oscillator and a structureless atom is used to predict the variation of thermally averaged vibrational-translational rate coefficients with temperature and initial-state quantum number. Multiple oscillator states are included in a numerical solution for collinear encounters. The results are compared with CO-He experimental values for both ground and excited initial states using several simplified forms of the interaction potential. The numerical model is also used as a basis for evaluating several less complete, but analytic, models. Two computationally simple analytic approximations are found that successfully reproduce the numerical rate coefficients for a wide range of molecular properties and collision partners. Their limitations are identified, and the relative rates of multiple-quantum transitions from excited states are evaluated for several molecular types.

Mckenzie, R. L.↗