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At least 1,459 records · Page 81

Automatic parameter selection for electron ptychography via Bayesian optimization

Abstract Electron ptychography provides new opportunities to resolve atomic structures with deep sub-angstrom spatial resolution and to study electron-beam sensitive materials with high dose efficiency. In practice, obtaining accurate ptychography images requires simultaneously optimizing multiple parameters that are often selected based on trial-and-error, resulting in low-throughput experiments and preventing wider adoption. Here, we develop an automatic parameter selection framework to circumvent this problem using Bayesian optimization with Gaussian processes. With minimal prior knowledge, the workflow efficiently produces ptychographic reconstructions that are superior to those processed by experienced experts. The method also facilitates better experimental designs by exploring optimized experimental parameters from simulated data.

42 ENGINEERING↗

Teeport: Break the Wall Between the Optimization Algorithms and Problems

Optimization algorithms/techniques such as genetic algorithm, particle swarm optimization, and Gaussian process have been widely used in the accelerator field to tackle complex design/online optimization problems. However, connecting the algorithm with the optimization problem can be difficult, as the algorithms and the problems may be implemented in different languages, or they may require specific resources. We introduce an optimization platform named Teeport that is developed to address the above issues. This real-time communication-based platform is designed to minimize the effort of integrating the algorithms and problems. Once integrated, the users are granted a rich feature set, such as monitoring, controlling, and benchmarking. Some real-life applications of the platform are also discussed.

97 MATHEMATICS AND COMPUTING↗

Synergistic Improvement of Carbohydrate and Lignin Processability by Biomimicking Biomass Processing

The sustainability and economic feasibility of modern biorefinery depend on the efficient processing of both carbohydrate and lignin fractions for value-added products. By mimicking the biomass degradation process in white-rote fungi, a tailored two-step fractionation process was developed to maximize the sugar release from switchgrass biomass and to optimize the lignin processability for bioconversion. Biomimicking biomass processing using Formic Acid: Fenton: Organosolv (F 2 O) and achieved high processability for both carbohydrate and lignin. Specifically, switchgrass pretreated by the F 2 O process had 99.6% of the theoretical yield for glucose release. The fractionated lignin was also readily processable by fermentation via Rhodococcus opacus PD630 with a lipid yield of 1.16 g/L. Scanning electron microscope analysis confirmed the fragmentation of switchgrass fiber and the cell wall deconstruction by the F 2 O process. 2D-HSQC NMR further revealed the cleavage of aryl ether linkages (β-O-4) in lignin components. These results revealed the mechanisms for efficient sugar release and lignin bioconversion. The F 2 O process demonstrated effective mimicking of natural biomass utilization system and paved a new path for improving the lignin and carbohydrate processability in next generation lignocellulosic biorefinery.

09 BIOMASS FUELS↗

Effect of Weld Tool Geometry on Friction Stir Welded AA2219-T87 Properties

In this study, flat panels of AA2219-T87 were friction stir welded (FSWed) using weld tools with tapered pins The three pin geometries of the weld tools included: 0 (straight cylinder), 30 , and 60 angles on the frustum. For each weld tool geometry, the FSW process parameters were optimized to eliminate defects. A constant heat input was maintained while varying the process parameters of spindle rpm and travel speed. This provided a constant heat input for each FSW weld panel while altering the hot working conditions imparted to the workpiece. The resulting mechanical properties were evaluated from tensile test results of the FSW joint.

Querin, Joseph A.↗

NASA Tech Briefs, April 2010

Topics covered include: Active and Passive Hybrid Sensor; Quick-Response Thermal Actuator for Use as a Heat Switch; System for Hydrogen Sensing; Method for Detecting Perlite Compaction in Large Cryogenic Tanks; Using Thin-Film Thermometers as Heaters in Thermal Control Applications; Directional Spherical Cherenkov Detector; AlGaN Ultraviolet Detectors for Dual-Band UV Detection; K-Band Traveling-Wave Tube Amplifier; Simplified Load-Following Control for a Fuel Cell System; Modified Phase-meter for a Heterodyne Laser Interferometer; Loosely Coupled GPS-Aided Inertial Navigation System for Range Safety; Sideband-Separating, Millimeter-Wave Heterodyne Receiver; Coaxial Propellant Injectors With Faceplate Annulus Control; Adaptable Diffraction Gratings With Wavefront Transformation; Optimizing a Laser Process for Making Carbon Nanotubes; Thermogravimetric Analysis of Single-Wall Carbon Nanotubes; Robotic Arm Comprising Two Bending Segments; Magnetostrictive Brake; Low-Friction, Low-Profile, High-Moment Two-Axis Joint; Foil Gas Thrust Bearings for High-Speed Turbomachinery; Miniature Multi-Axis Mechanism for Hand Controllers; Digitally Enhanced Heterodyne Interferometry; Focusing Light Beams To Improve Atomic-Vapor Optical Buffers; Landmark Detection in Orbital Images Using Salience Histograms; Efficient Bit-to-Symbol Likelihood Mappings; Capacity Maximizing Constellations; Natural-Language Parser for PBEM; Policy Process Editor for P(sup 3)BM Software; A Quality System Database; Trajectory Optimization: OTIS 4; and Computer Software Configuration Item-Specific Flight Software Image Transfer Script Generator.

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MODIS Collection 6 MAIAC Algorithm

This paper describes the latest version of the algorithm MAIAC (Multi-Angle Implementation of Atmospheric Correction) used for processing the MODIS (Moderate-resolution Imaging Spectroradiometer) Collection6 data record. Since initial publication in 2011-2012, MAIAC has changed considerably to adapt to global processing and improve cloud/snow detection, aerosol retrievals and atmospheric correction of MODIS data. The main changes include (1) transition from a 25 to 1 km scale for retrieval of the spectral regression coefficient (SRC) which helped to remove occasional blockiness at 25 km scale in the aerosol optical depth (AOD) and in the surface reflectance, (2) continuous improvements of cloud detection, (3) introduction of smoke and dust tests to discriminate absorbing fine- and coarse mode aerosols, (4) adding over-water processing, (5) general optimization of the LUT (LookUp-Table)-based radiative transfer for the global processing, and others. MAIAC provides an interdisciplinary suite of atmospheric and land products, including cloud mask (CM), column water vapor (CWV), AOD at 0.47 and 0.55 m, aerosol type (background, smoke or dust) and fine-mode fraction over water; spectral bidirectional reflectance factors (BRF), parameters of Ross-thick Lisparse (RTLS) bidirectional reflectance distribution function (BRDF) model and instantaneous albedo. For snow-covered surfaces, we provide subpixel snow fraction and snow grain size. All products come in standard HDF4 (software library) format at 1 km resolution, except for BRF, which is also provided at 500 m resolution on a sinusoidal grid adopted by the MODIS Land team. All products are provided on per-observation basis in daily files except for the BRDF/Albedo product, which is reported every 8 days. Because MAIAC uses a time series approach, BRDF/Albedo is naturally gap-filled over land where missing values are filled-in with results from the previous retrieval. While the BRDF model is reported for MODIS Land bands 1-7 and ocean band 8, BRF is reported for both land and ocean bands 1-12. This paper focuses on MAIAC cloud detection, aerosol retrievals and atmospheric correction and describes MCD19 data products and quality assurance (QA) flags.

MAIAC Algorithm↗

Structural Optimization in automotive design

Although mathematical structural optimization has been an active research area for twenty years, there has been relatively little penetration into the design process. Experience indicates that often this is due to the traditional layout-analysis design process. In many cases, optimization efforts have been outgrowths of analysis groups which are themselves appendages to the traditional design process. As a result, optimization is often introduced into the design process too late to have a significant effect because many potential design variables have already been fixed. A series of examples are given to indicate how structural optimization has been effectively integrated into the design process.

Bennett, J. A.↗

Correlating processing variables to material properties in recycled polypropylene: A data‐driven approach

Abstract Polypropylene (PP) is one of the most widely used plastics, yet its recycling remains limited, with less than 1% of solid waste PP being reprocessed. Mechanical recycling through extrusion is the most practical method, but inconsistent reprocessing conditions introduce variability in material properties. While temperature, screw speed, and residence time influence the thermomechanical stress applied during reprocessing, there are no standardized guidelines for optimizing these parameters. This study examines how these factors shape the properties of recycled PP, using conditions designed to mimic post‐industrial recycled (PIR) scrap. Residence time was measured using colorimetric tracking and correlated with molecular weight, viscosity, and mechanical properties over multiple extrusion cycles. Data‐driven modeling, including response surface methodology, support vector machines, and artificial neural networks, identified processing temperature as the dominant factor in material degradation, followed by residence time. Mechanical properties remained stable, while viscosity decreased predictably with increasing residence time. By linking reprocessing conditions to property evolution, this study provides a method to optimize processing parameters and reduce variability in recycled PP. These findings help manufacturers improve process control, making recycled PP more predictable for reuse in manufacturing. Highlights Study of PIR‐quality PP without additives or compatibilizers. Residence time analysis shows processing temperature drives PP property changes. Mark‐Houwink enables quick molecular weight checks for quality control. Models predict mechanical and rheological shifts in reprocessing. Optimized processing parameters minimize property degradation in recycling.

Estela‐García, John E. [Polymer Engineering Center↗

Probing elemental speciation in hydrochar produced from hydrothermal liquefaction of anaerobic digestates using quantitative X-ray diffraction

Valorization of hydrochar, a solid byproduct from hydrothermal liquefaction (HTL) of anaerobically-digested agriculture wastes (digestates), requires fundamental knowledge of elemental speciation. This study investigated the effects of reaction temperatures (320–360 °C), digestate pH (3.5–8), and digestate cellulose-to-lignin ratios (0.2–1.8) on the speciation (chemical form) and composition of organics and inorganics in hydrochars produced during hydrothermal treatment. Quantitative X-ray diffraction (XRD) method was the primary technique used to characterize hydrochars. The comprehensive XRD pattern processing including the Rietveld refinement protocols demonstrated that the organic phase was comprised of mostly crystalline monocyclic, heterocyclic, and polycyclic aromatics with diverse aliphatic and aromatic substituents, while the inorganic mineral phase consisted of calcium-phosphates, magnesium-phosphates, calcium-carbonates, and magnesium-carbonates. Further, XRD results were validated by the elemental yields of products and the distribution of chemical functionalities measured using solid-state nuclear magnetic resonance (NMR) spectroscopy. The characterization data were used to evaluate proposed mechanistic pathways using compositional analysis of biocrude and aqueous-phase coproducts. Mechanistic pathways developed in the study suggested that benzoic acids, phenols, benzaldehydes, phenolic aldehydes, α-dicarbonyls, and α-hydroxycarbonyls were responsible for the precipitation of organics through various reactions depending on operating conditions. Meanwhile, the formation of inorganic compounds appeared to be consistently represented by reactions including dehydration, hydrolysis, endergonic reduction, and structure rearrangement of native minerals in the digestates. This study provides basic knowledge needed to create and assess potential elemental speciation pathways. In addition, the results of the study facilitate the specification of process conditions to optimize targeted utilization routes of hydrochar for more economically-feasible and sustainable HTL processing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Micromechanical Characterization and Texture Analysis of Direct Cast Titanium Alloys Strips

This research was conducted to determine a post-processing technique to optimize mechanical and material properties of a number of Titanium based alloys and aluminides processed via Melt Overflow Solidification Technique (MORST). This technique was developed by NASA for the development of thin sheet titanium and titanium aluminides used in high temperature applications. The materials investigated in this study included conventional titanium alloy strips and foils, Ti-1100, Ti-24Al-11Nb (Alpha-2), and Ti-48Al-2Ta (Gamma). The methodology used included micro-characterization, heat-treatment, mechanical processing and mechanical testing. Characterization techniques included optical, electron microscopy, and x-ray texture analysis. The processing included heat-treatment and mechanical deformation through cold rolling. The initial as-cast materials were evaluated for their microstructure and mechanical properties. Different heat-treatment and rolling steps were chosen to process these materials. The properties were evaluated further and a processing relationship was established in order to obtain an optimum processing condition. The results showed that the as-cast material exhibited a Widmanstatten (fine grain) microstructure that developed into a microstructure with larger grains through processing steps. The texture intensity showed little change for all processing performed in this investigation.

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Integrated topology and shape optimization in structural design

Structural optimization procedures usually start from a given design topology and vary its proportions or boundary shapes to achieve optimality under various constraints. Two different categories of structural optimization are distinguished in the literature, namely sizing and shape optimization. A major restriction in both cases is that the design topology is considered fixed and given. Questions concerning the general layout of a design (such as whether a truss or a solid structure should be used) as well as more detailed topology features (e.g., the number and connectivities of bars in a truss or the number of holes in a solid) have to be resolved by design experience before formulating the structural optimization model. Design quality of an optimized structure still depends strongly on engineering intuition. This article presents a novel approach for initiating formal structural optimization at an earlier stage, where the design topology is rigorously generated in addition to selecting shape and size dimensions. A three-phase design process is discussed: an optimal initial topology is created by a homogenization method as a gray level image, which is then transformed to a realizable design using computer vision techniques; this design is then parameterized and treated in detail by sizing and shape optimization. A fully automated process is described for trusses. Optimization of two dimensional solid structures is also discussed. Several application-oriented examples illustrate the usefulness of the proposed methodology.

Bremicker, M.↗

Optimal control to handle variations in moisture content and reactor in-feed rate

The variations in feedstock characteristics, such as moisture and particle size distribution, lead to an inconsistent flow of feedstock from the biomass pre-processing system to the reactor in-feed system. These inconsistencies result in low on-stream times at the reactor in-feed equipment. This research develops an optimal process control method for a biomass pre-processing system comprised of milling and densification operations to provide the consistent flow of feedstock to a reactor's throat. This method uses a mixed-integer optimization model to identify optimal bale sequencing, equipment in-feed rate, and buffer location and size in the biomass pre-processing system. This method, referred to as the hybrid process control (HPC), aims to maximize throughput over time. We compare HPC with a baseline feed forward process control. Our case study based on switchgrass finds that HPC reduces the variation of a reactor's feeding rate by up to 100% without increasing the operating cost of the biomass pre-processing system for biomass with moisture ranging from 10 to 25%. Additionally, HPC reduces the cost of processing biomass by 0.36%–2.22%, and reduces processing time by 0.35%-2.24%. Furthermore, a biorefinery can adapt HPC to achieve its design capacity.

09 BIOMASS FUELS↗

Atomically Local Electric Field Induced Interface Water Reorientation for Alkaline Hydrogen Evolution Reaction

The slow water dissociation process in alkaline electrolyte severely limits the kinetics of HER. The orientation of H 2 O is well known to affect the dissociation process, but H 2 O orientation is hard to control because of its random distribution. Herein, an atomically asymmetric local electric field was designed by IrRu dizygotic single-atom sites (IrRu DSACs) to tune the H 2 O adsorption configuration and orientation, thus optimizing its dissociation process. The electric field intensity of IrRu DSACs is over 4.00×10 10 N/C. The ab initio molecular dynamics simulations combined with in situ Raman spectroscopy analysis on the adsorption behavior of H 2 O show that the M–H bond length (M=active site) is shortened at the interface due to the strong local electric field gradient and the optimized water orientation promotes the dissociation process of interfacial water. This work provides a new way to explore the role of single atomic sites in alkaline hydrogen evolution reaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Mono-Ether and Alcohol Bioblendstocks to Reduce the Fuel Penalty of Mixing Controlled Compression Ignition (MCCI) Engine Aftertreatment

An integrated approach utilizing catalysis experiments, process systems engineering, fuel property modeling, and engine testing was utilized in this project to optimize the production process and composition of a #2 diesel bioblendstock produced from ethanol consisting primarily of long-chain mono-ethers. The primary objective of the project was to determine the composition and to design the production process for a bioblendstock for #2 diesel fuel with > 50% reduction in greenhouse gas emissions relative to conventional diesel fuel. The desired bioblendstock needed to be blendable with #2 diesel fuel at > 5 vol. % while still meeting ASTM D975 diesel fuel specification properties and achieving improvements in fuel properties: increased cetane number, decreased sooting, and reduced pour point and cloud point temperatures. At the same time, it needed to reduce the fuel energy penalty associated with MCCI engine aftertreatment resulting in improved system efficiency. The findings of the current project demonstrate that primary objective of the work has been met, i.e., to determine the composition and to design the production process for a bioblendstock for #2 diesel fuel with > 50% reduction in greenhouse gas emissions relative to conventional diesel fuel. Additionally, the results indicate that the property objectives (increased cetane number, reduced pour and cloud points, and reduced sooting propensity) for the designed bioblendstock composition have also been met. Engine testing performed has also confirmed that the increased reactivity of the bioblendstock can be used to improve catalyst heating operation and to reduce the fuel penalty associated with this operation mode. The fuel property results demonstrate that >5 vol.% blending is easily achieved while meeting the ASTM D975 #2 diesel fuel property specifications tested in this work, as this was achieved for a blend with 43 vol. % of the bioblendstock. The results provide a foundation for future work to scaleup the catalytic production process designed in this work, with many of the challenges and areas for improvement being identified in this work to enable economic production with low GHG lifecycle emissions.

09 BIOMASS FUELS↗

The PC/AT compatible computer as a mission control center display processor at Ames-Dryden Flight Research Facility

The NASA Ames-Dryden Flight Research Facility's Western Aeronautical Test Range will assign the flight test data display processing function to Mission Control Centers in order to allow research engineers to flexibly configure their own display-processing system to optimize performance during a flight research mission. This will leave the Telemetry Radar Acquisition and Processing System more time to acquire data. One of the processors chosen to handle the display-processing function is an IBM PC/AT-compatible, rack-mounted PC giving engineers a personalized set of analytic and display tools, developed on the basis of off-the-shelf PC/AT-compatible engineering hardware and software items.

Hammons, Kevin R.↗

Accelerating Ground-Test Cycle Time: The Six-Minute Model Change and Other Visions for the 21st Century

The advantage of managing organizations to minimize product development cycle time has been well established. This paper provides an overview of the wind tunnel testing cycle time reduction activities at Langley Research Center (LaRC) and gives the status of several improvements in the wind tunnel productivity and cost reductions that have resulted from these activities. Processes have been examined and optimized. Metric data from monitoring processes provides guidance for investments in advanced technologies. The most promising technologies under implementation today include the use of formally designed experiments, a diverse array of quick disconnect technology and the judicious use of advanced electronic and information technologies.

Kegelman, Jerome T.↗

Simulations of a Turbulent Flow Subjected to Favorable and Adverse Pressure Gradients

This paper reports the results from a direct numerical simulation of an initially turbulent boundary layer passing over a wall-mounted “speed bump” geometry. The speed bump, represented in the form of a Gaussian distribution profile, generates a favorable pressure gradient region over the upstream half of the geometry, followed by an adverse pressure gradient over the downstream half. The boundary layer approaching the bump undergoes strong acceleration in the favorable pressure gradient region before experiencing incipient or very weak separation within the adverse pressure gradient region. These types of flows have proven to be particularly challenging to predict using lower-fidelity simulation tools based on various turbulence modeling approaches and warrant the use of the highest-fidelity simulation techniques. Simulation results are utilized to examine the key phenomena present in the flowfield, such as relaminarization/stabilization in the strong acceleration region succeeded by retransition to turbulence near the onset of adverse pressure gradient, incipient/weak separation, and development of internal layers where the sense of streamwise pressure gradient changes at the foot, apex and tail of the bump. The present direct numerical simulation is performed using a flow solver developed exclusively for graphics processing units, which is found to provide a significant speedup compared to an earlier solver optimized for central processing unit architectures.

Ali Uzun↗