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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 487 records · Page 27

Application-specific optimal model weighting of global climate models: A red tide example

Global climate models (GCMs) and Earth system models (ESMs) provide many climate services with environmental relevance. The High Resolution Model Inter-comparison Project (HighResMIP) of the Coupled Model Intercomparison Project Phase 6 (CMIP6) provides model runs of GCMs and ESMs to address regional phenomena. Developing a parsimonious ensemble of CMIP6 requires multiple ensemble methods such as independent-model subset selection, prescreening-based subset selection, and model weighting. The work presented here focuses on application-specific optimal model weighting, with prescreening-based subset selection. As such, independent ensemble members are categorized, selected, and weighted based on their ability to reproduce physically-interpretable features of interest that are problem-specific. We discuss the strengths and caveats of optimal model weighting using a case study of red tide prediction in the Gulf of Mexico along the West Florida Shelf. Red tide is a common name of specific harmful algal blooms that occur worldwide, causing adverse socioeconomic and environmental impacts. Our results indicate the importance of prescreening-based subset selection as optimal model weighting can underplay robust ensemble members by optimizing error cancellation. Prescreening-based subset selection also provides insights about the validity of the model weights. By illustrating the caveats of using non-representative models when optimal model weighting is used, the findings and discussion of this study are pertinent to many other climate services.

54 ENVIRONMENTAL SCIENCES↗

A practical globalization of one-shot optimization for optimal design of tokamak divertors

In past studies, nested optimization methods were successfully applied to design of the magnetic divertor configuration in nuclear fusion reactors. In this paper, so-called one-shot optimization methods are pursued. Due to convergence issues, a globalization strategy for the one-shot solver is sought. Whereas Griewank introduced a globalization strategy using a doubly augmented Lagrangian function that includes primal and adjoint residuals, its practical usability is limited by the necessity of second order derivatives and expensive line search iterations. In this paper, a practical alternative is offered that avoids these drawbacks by using a regular augmented Lagrangian merit function that penalizes only state residuals. Additionally, robust rank-two Hessian estimation is achieved by adaptation of Powell's damped BFGS update rule. The application of the novel one-shot approach to magnetic divertor design is considered in detail. For this purpose, the approach is adapted to be complementary with practical in parts adjoint sensitivities. Using the globalization strategy, stable convergence of the one-shot approach is achieved.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Performance Optimization of Alternative Lower Global Warming Potential Refrigerants in Mini-Split Room Air Conditioners

Oak Ridge National laboratory (ORNL) recently conducted extensive laboratory, drop-in investigations for lower Global Warming Potential (GWP) refrigerants to replace R-22 and R-410A. ORNL studied propane, DR-3, ARM-20B, N-20B and R-444B as lower GWP refrigerant replacement for R-22 in a mini-split room air conditioner (RAC) originally designed for R-22; and, R-32, DR-55, ARM-71A, and L41-2, in a mini-split RAC designed for R-410A. We obtained laboratory testing results with very good energy balance and nominal measurement uncertainty. Drop-in studies are not enough to judge the overall performance of the alternative refrigerants since their thermodynamic and transport properties might favor different heat exchanger configurations, e.g. cross-flow, counter flow, etc. This study compares optimized performances of individual refrigerants using a physics-based system model tools. The DOE/ORNL Heat Pump Design Model (HPDM) was used to model the mini-split RACs by inputting detailed heat exchangers geometries, compressor displacement and efficiencies as well as other relevant system components. The RAC models were calibrated against the lab data for each individual refrigerant. The calibrated models were then used to conduct a design optimization for the cooling performance by varying the compressor displacement to match the required capacity, and changing the number of circuits, refrigerant flow direction, tube diameters, air flow rates in the condenser and evaporator at 100% and 50% cooling capacities. This paper compares the optimized performance results for all alternative refrigerants and highlights best candidates for R-22 and R-410A replacement.

GWP↗

Unraveling the Planar-Globular Transition in Gold Nanoclusters through Evolutionary Search

Au nanoclusters are of technological relevance for catalysis, photonics, sensors, and of fundamental scientific interest owing to planar to globular structural transformation at an anomalously high number of atoms i.e. in the range 12-14. The nature and causes of this transition remain a mystery. In order to unravel this conundrum, high throughput density functional theory (DFT) calculations, coupled with a global structural optimization scheme based on a modified genetic algorithm (GA) are conducted. Furthermore, more than 20,000 Au 12 , Au 13 , and Au 14 nanoclusters are evaluated. With any DFT functional, globular and planar structures coexist across the size range of interest. Contrary to what was previously believed, the planar-globular transition is gradual at room temperature rather than a sharp transition. The effects of anionicity, s-d band hybridization and long range interactions on the dimensional transition are quantified by using the structures adjacent to minima. Anionicity marginally changes the relative stability of the clusters. The degree of s-d hybridization is varied via changing the Hubbard U value which corroborate that s-d hybridization alone does not stabilize planar structures. van der Waals interactions, on the other hand, stabilize globular structures. Our results elucidate the balance between the different reasons of the dimensional transition in gold nanoclusters.

36 MATERIALS SCIENCE↗

Study of a global search algorithm for optimal control.

Adaptive random search algorithm utilizing boundary cost-function hypersurfaces measurement to implement Pontryagin maximum principle, discussing hybrid computer use, iterative solution and convergence properties

Brocker, D. H.↗

Research and development activities in unified control-structure modeling and design

Results of work sponsored by JPL and other organizations to develop a unified control/structures modeling and design capability for large space structures is presented. Recent analytical results are presented to demonstrate the significant interdependence between structural and control properties. A new design methodology is suggested in which the structure, material properties, dynamic model and control design are all optimized simultaneously. The development of a methodology for global design optimization is recommended as a long term goal. It is suggested that this methodology should be incorporated into computer aided engineering programs, which eventually will be supplemented by an expert system to aid design optimization. Recommendations are also presented for near term research activities at JPL. The key recommendation is to continue the development of integrated dynamic modeling/control design techniques, with special attention given to the development of structural models specially tailored to support design.

Nayak, A. P.↗

A Full-Envelope Air Data Calibration and Three-Dimensional Wind Estimation Method Using Global Output-Error Optimization and Flight-Test Techniques

A novel, efficient air data calibration method is proposed for aircraft with limited envelopes. This method uses output-error optimization on three-dimensional inertial velocities to estimate calibration and wind parameters. Calibration parameters are based on assumed calibration models for static pressure, angle of attack, and flank angle. Estimated wind parameters are the north, east, and down components. The only assumptions needed for this method are that the inertial velocities and Euler angles are accurate, the calibration models are correct, and that the steady-state component of wind is constant throughout the maneuver. A two-minute maneuver was designed to excite the aircraft over the range of air data calibration parameters and de-correlate the angle-of-attack bias from the vertical component of wind. Simulation of the X-48B (The Boeing Company, Chicago, Illinois) aircraft was used to validate the method, ultimately using data derived from wind-tunnel testing to simulate the un-calibrated air data measurements. Results from the simulation were accurate and robust to turbulence levels comparable to those observed in flight. Future experiments are planned to evaluate the proposed air data calibration in a flight environment.

Taylor, Brian R.↗

Remote Sensing of CDOM, CDOM Spectral Slope, and Dissolved Organic Carbon in the Global Ocean

A Global Ocean Carbon Algorithm Database (GOCAD) has been developed from over 500 oceanographic field campaigns conducted worldwide over the past 30 years including in situ reflectances and coincident satellite imagery, multi- and hyperspectral Chromophoric Dissolved Organic Matter (CDOM) absorption coefficients from 245–715 nm, CDOM spectral slopes in eight visible and ultraviolet wavebands, dissolved and particulate organic carbon (DOC and POC, respectively), and inherent optical, physical, and biogeochemical properties. From field optical and radiometric data and satellite measurements, several semi-analytical, empirical, and machine learning algorithms for retrieving global DOC, CDOM, and CDOM slope were developed, optimized for global retrieval, and validated. Global climatologies of satellite-retrieved CDOM absorption coefficient and spectral slope based on the most robust of these algorithms lag seasonal patterns of phytoplankton biomass belying Case 1 assumptions, and track terrestrial runoff on ocean basin scales. Variability in satellite retrievals of CDOM absorption and spectral slope anomalies are tightly coupled to changes in atmospheric and oceanographic conditions associated with El Niño Southern Oscillation (ENSO), strongly covary with the multivariate ENSO index in a large region of the tropical Pacific, and provide insights into the potential evolution and feedbacks related to sea surface dissolved carbon in a warming climate. Further validation of the DOC algorithm developed here is warranted to better characterize its limitations, particularly in mid-ocean gyres and the southern oceans.

Dissolved organic carbon↗

A connectionist model for diagnostic problem solving

A competition-based connectionist model for solving diagnostic problems is described. The problems considered are computationally difficult in that (1) multiple disorders may occur simultaneously and (2) a global optimum in the space exponential to the total number of possible disorders is sought as a solution. The diagnostic problem is treated as a nonlinear optimization problem, and global optimization criteria are decomposed into local criteria governing node activation updating in the connectionist model. Nodes representing disorders compete with each other to account for each individual manifestation, yet complement each other to account for all manifestations through parallel node interactions. When equilibrium is reached, the network settles into a locally optimal state. Three randomly generated examples of diagnostic problems, each of which has 1024 cases, were tested, and the decomposition plus competition plus resettling approach yielded very high accuracy.

Peng, Yun↗

Global structure search for molecules on surfaces: Efficient sampling with curvilinear coordinates

Efficient structure search is a major challenge in computational materials science. Here, we present a modification of the basin hopping global geometry optimization approach that uses a curvilinear coordinate system to describe global trial moves. This approach has recently been shown to be efficient in structure determination of clusters [C. Panosetti et al., Nano Lett. 15, 8044–8048 (2015)] and is here extended for its application to covalent, complex molecules and large adsorbates on surfaces. The employed automatically constructed delocalized internal coordinates are similar to molecular vibrations, which enhances the generation of chemically meaningful trial structures. By introducing flexible constraints and local translation and rotation of independent geometrical subunits, we enable the use of this method for molecules adsorbed on surfaces and interfaces. For two test systems, trans-β -ionylideneacetic acid adsorbed on a Au(111) surface and methane adsorbed on a Ag(111) surface, we obtain superior performance of the method compared to standard optimization moves based on Cartesian coordinates.

36 MATERIALS SCIENCE↗

Extension of an Object-Oriented Optimization Tool: User's Reference Manual

The National Aeronautics and Space Administration Armstrong Flight Research Center has developed a cost-effective and flexible object-oriented optimization (O (sup 3)) tool that leverages existing tools and practices and allows easy integration and adoption of new state-of-the-art software. This object-oriented framework can integrate the analysis codes for multiple disciplines, as opposed to relying on one code to perform analysis for all disciplines. Optimization can thus take place within each discipline module, or in a loop between the O (sup 3) tool and the discipline modules, or both. Six different sample mathematical problems are presented to demonstrate the performance of the O (sup 3) tool. Instructions for preparing input data for the O (sup 3) tool are detailed in this user's manual.

Multidisciplinary design optimization↗

Optimization and performance of bifacial solar modules: A global perspective

With the rapidly growing interest in bifacial photovoltaics (PV), a worldwide map of their potential performance can help assess and accelerate the global deployment of this emerging technology. However, the existing literature only highlights optimized bifacial PV for a few geographic locations or develops worldwide performance maps for very specific configurations, such as the vertical installation. It is still difficult to translate these location- and configuration-specific conclusions to a general optimized performance of this technology. In this paper, we present a global study and optimization of bifacial solar modules using a rigorous and comprehensive modeling framework. Our results demonstrate that with a low albedo of 0.25, the bifacial gain of ground-mounted bifacial modules is less than 10% worldwide. However, increasing the albedo to 0.5 and elevating modules 1 m above the ground can boost the bifacial gain to 30%. Moreover, we derive a set of empirical design rules, which optimize bifacial solar modules across the world and provide the groundwork for rapid assessment of the location-specific performance. We find that ground-mounted, vertical, east-west-facing bifacial modules will outperform their south-north-facing, optimally tilted counterparts by up to 15% below the latitude of 30 degrees, for an albedo of 0.5. The relative energy output is reversed in latitudes above 30 degrees. A detailed and systematic comparison with data from Asia, Africa, Europe, and North America validates the model presented in this paper.

14 SOLAR ENERGY↗

Research and development activities in unified control-structure modeling and design

Results of work to develop a unified control/structures modeling and design capability for large space structures modeling are presented. Recent analytical results are presented to demonstrate the significant interdependence between structural and control properties. A new design methodology is suggested in which the structure, material properties, dynamic model and control design are all optimized simultaneously. Parallel research done by other researchers is reviewed. The development of a methodology for global design optimization is recommended as a long-term goal. It is suggested that this methodology should be incorporated into computer aided engineering programs, which eventually will be supplemented by an expert system to aid design optimization.

Nayak, A. P.↗

Integrated membrane material design and system synthesis

In designing membrane systems, the synergy between membrane materials and the process design is often overlooked. In this paper, we present a mixed-integer nonlinear programming (MINLP) model for synthesizing membrane systems while simultaneously designing the respective membrane materials for multicomponent gas separation. The approach considers superstructure representations for systems with: (1) same, (2) potentially different, and (3) property-targeting membrane materials. In the first two systems, the selection of membrane material is a decision, while in the final type, membrane permeances are subject to optimization. Physics-based surrogate models are used to describe permeation in crossflow and countercurrent flow permeators. We show that, through a case study of biogas upgrading, our approach obtains high quality solutions. Furthermore, we use the proposed approach while considering permeance-based production cost to find the optimal membrane.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Trajectory optimization for the National Aerospace Plane

The objective of this second phase research is to investigate the optimal ascent trajectory for the National Aerospace Plane (NASP) from runway take-off to orbital insertion and address the unique problems associated with the hypersonic flight trajectory optimization. The trajectory optimization problem for an aerospace plane is a highly challenging problem because of the complexity involved. Previous work has been successful in obtaining sub-optimal trajectories by using energy-state approximation and time-scale decomposition techniques. But it is known that the energy-state approximation is not valid in certain portions of the trajectory. This research aims at employing full dynamics of the aerospace plane and emphasizing direct trajectory optimization methods. The major accomplishments of this research include the first-time development of an inverse dynamics approach in trajectory optimization which enables us to generate optimal trajectories for the aerospace plane efficiently and reliably, and general analytical solutions to constrained hypersonic trajectories that has wide application in trajectory optimization as well as in guidance and flight dynamics. Optimal trajectories in abort landing and ascent augmented with rocket propulsion and thrust vectoring control were also investigated. Motivated by this study, a new global trajectory optimization tool using continuous simulated annealing and a nonlinear predictive feedback guidance law have been under investigation and some promising results have been obtained, which may well lead to more significant development and application in the near future.

Lu, Ping↗