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Results for “Selection optimization”

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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Engineering Catalyst–Electrolyte Microenvironments to Optimize the Activity and Selectivity for the Electrochemical Reduction of CO 2 on Cu and Ag

We report the electrochemical reduction of carbon dioxide (CO 2 R) driven by renewably generated electricity (e.g., solar and wind) offers a promising means for reusing the CO 2 released during the production of cement, steel, and aluminum as well as the production of ammonia and methanol. If CO 2 could be removed from the atmosphere at acceptable costs (i.e., <$100/t of CO 2 ), then CO 2 R could be used to produce carbon-containing chemicals and fuels in a fully sustainable manner. Economic considerations dictate that CO 2 R current densities must be in the range of 0.1 to 1 A/cm 2 and selectivity toward the targeted product must be high in order to minimize separation costs. Industrially relevant operating conditions can be achieved by using gas diffusion electrodes (GDEs) to maximize the transport of species to and from the cathode and combining such electrodes with a solid-electrolyte membrane by eliminating the ohmic losses associated with liquid electrolytes. Additionally, high product selectivity can be attained by careful tuning of the microenvironment near the catalyst surface (e.g., the pH, the concentrations of CO 2 and H 2 O, and the identities of the cations in the double layer adjacent to the catalyst surface).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core

WD repeat domain 5 (WDR5) is a member of the WD40-repeat protein family that plays a critical role in multiple chromatin-centric processes. Overexpression of WDR5 correlates with a poor clinical outcome in many human cancers, and WDR5 itself has emerged as an attractive target for therapy. Most drug-discovery efforts center on the WIN site of WDR5 that is responsible for the recruitment of WDR5 to chromatin. In this paper, we describe discovery of a novel WDR5 WIN site antagonists containing a dihydroisoquinolinone bicyclic core using a structure-based design. These compounds exhibit picomolar binding affinity and selective concentration-dependent antiproliferative activities in sensitive MLL-fusion cell lines. Furthermore, these WDR5 WIN site binders inhibit proliferation in MYC-driven cancer cells and reduce MYC recruitment to chromatin at MYC/WDR5 co-bound genes. Thus, these molecules are useful probes to study the implication of WDR5 inhibition in cancers and serve as a potential starting point toward the discovery of anti-WDR5 therapeutics.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Pore-Space Partition and Optimization for Propane-Selective High-Performance Propane/Propylene Separation

The development of effective propane (C 3 H 8 )-selective adsorbents for the purification of propylene (C 3 H 6 ) from C 3 H 8 /C 3 H 6 mixture is a promising alternative to replace the energy-intensive cryogenic distillation. However, few materials possess the dual desirable features of propane selectivity and high uptake capacity. Here, we report a family of pore-space-partitioned crystalline porous materials (CPM) with remarkable C 3 H 8 uptake capacity (up to 10.9 mmol/g) and the highly desirable, yet uncommon C 3 H 8 selectivity (up to 1.54 at 0.1 bar and 1.44 at 1bar). The selectivity-capacity synergy endows them with record-performing C 3 H 8 /C 3 H 6 separation potential (i.e., C 3 H 6 recovered from the mixture). Moreover, these CPMs exhibit outstanding properties including high stability, low regeneration energy, and multi-modular chemical and geometrical tunability within the same isoreticular framework. Furthermore, the high C 3 H 8 /C 3 H 6 separation performance was further confirmed by the breakthrough experiments.

36 MATERIALS SCIENCE↗
NASA NTRS1992

The suitability of selected multidisciplinary design and optimization techniques to conceptual aerospace vehicle design

Four methods for preliminary aerospace vehicle design are reviewed. The first three methods (classical optimization, system decomposition, and system sensitivity analysis (SSA)) employ numerical optimization techniques and numerical gradients to feed back changes in the design variables. The optimum solution is determined by stepping through a series of designs toward a final solution. Of these three, SSA is argued to be the most applicable to a large-scale highly coupled vehicle design where an accurate minimum of an objective function is required. With SSA, several tasks can be performed in parallel. The techniques of classical optimization and decomposition can be included in SSA, resulting in a very powerful design method. The Taguchi method is more of a 'smart' parametric design method that analyzes variable trends and interactions over designer specified ranges with a minimum of experimental analysis runs. Its advantages are its relative ease of use, ability to handle discrete variables, and ability to characterize the entire design space with a minimum of analysis runs.

Olds, John R.↗
NASA NTRS1993

Optimal parking orbits for manned Mars missions

This paper summarizes a Mars parking orbit optimization effort. This parking orbit study includes the selection of optimal elliptic Mars parking orbits that meet mission constraints and that include pertinent apsidal misalignment losses. Mars missions examined are for the opportunity years of 2014, 2016, and 2018. For these mission opportunities, it is shown that the optimal parking orbits depend on the year that the mission occurs and are coupled with the outbound, Mars stay, and return phases of the mission. Constraints included in the parking orbit optimization process are periapsis lighting angle (related to a daylight landing requirement), periapsis latitude (related to a landing latitude range requirement) and the vehicle Trans-Earth-Injection stage mass. Also, effects of mission abort requirements on optimal parking orbits are investigated. Off-periapsis maneuvers for Mars orbit capture were found to be cost effective in reducing the mission delta-V for the 2016 abort from Mars capture scenario. The total capture and departure delta-V was `split' between the capture maneuver and the departure maneuver to reduce the 2016 Mars departure delta-V to below the level of the corresponding stage of the 2014 baseline mission. Landing results are provided that show Mars landing site access from the optimal elliptic parking orbits for Mars excursion vehicles with low (0.2) and high (1.3 and 1.6) lift to drag ratio.

Cupples, Michael L.↗
NASA NTRS2013

Choosing Your Poison: Optimizing Simulator Visual System Selection as a Function of Operational Tasks

Although current technology simulator visual systems can achieve extremely realistic levels they do not completely replicate the experience of a pilot sitting in the cockpit, looking at the outside world. Some differences in experience are due to visual artifacts, or perceptual features that would not be present in a naturally viewed scene. Others are due to features that are missing from the simulated scene. In this paper, these differences will be defined and discussed. The significance of these differences will be examined as a function of several particular operational tasks. A framework to facilitate the choice of visual system characteristics based on operational task requirements will be proposed.

Sweet, Barbara T.↗
NASA NTRS1982

Use of optimization to predict the effect of selected parameters on commuter aircraft performance

An optimizing computer program determined the turboprop aircraft with lowest direct operating cost for various sets of cruise speed and field length constraints. External variables included wing area, wing aspect ratio and engine sea level static horsepower; tail sizes, climb speed and cruise altitude were varied within the function evaluation program. Direct operating cost was minimized for a 150 n.mi typical mission. Generally, DOC increased with increasing speed and decreasing field length but not by a large amount. Ride roughness, however, increased considerably as speed became higher and field length became shorter.

Wells, V. L.↗
DOE OSTI2022

ADAPTIVE GROUP TESTING WITH MISMATCHED MODELS

Accurate detection of infected individuals is one of the critical steps in stopping any pandemic. When the underlying infection rate of the disease is low, testing people in groups, instead of testing each individual in the population, can be more efficient. In this work, we consider noisy adaptive group testing design with specific test sensitivity and specificity that select the optimal group given previous test results based on pre-selected utility function. As in prior studies on group testing, we model this problem as a sequential Bayesian Optimal Experimental Design (BOED) to adaptively design the groups for each test. We analyze the required number of group tests when using the updated posterior on the infection status and the corresponding Mutual Information (MI) as our utility function for selecting new groups. More importantly, we study how the potential bias on the ground-truth noise of group tests may affect the group testing sample complexity.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1989

Optimal Placement Of Multiple Antennas

Computer program based on pair of algorithms selects approximately optimal locations of antennas and approximately optimal number of elements in each antenna of multiple-antenna communication system. Obscuration in field of view at given antenna location taken into account in choice of number of antenna elements mounted there. Directional coverages of combinations of up to four antenna elements computed in search for combination to cover clear portion of field of view. Developed to aid design of antenna system of conceptual space station. Applied to system aboard ship or aircraft, on building in city, or in any location where transmission and reception blocked in some directions from each potential antenna-mounting point.

Shelton, Kyle W.↗
DOE OSTI2022

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↗
DOE OSTI2018

Design and optimization of nanoparticle-pigmented solar selective absorber coatings for high-temperature concentrating solar thermal systems

In this paper, we present a systematic approach for the design and optimization of nanoparticle-pigmented solar selective absorbers for operation at 750 °C. Using the scattering and absorption cross-sections calculated by Lorenz-Mie scattering theory as input, we employ a four-flux radiative transfer method to investigate the solar selectivity mechanism and optimize the optical-to-thermal conversion efficiency (η therm ) as a function of the metallic nanoparticle material, the nanoparticle diameter, the volume fraction, and the coating thickness. Among the nanoparticle material candidates in this study, C54-TiSi 2 is the best option with an optimized η therm = 87.0% for a solar concentration ratio of C = 100 and η therm = 94.4% for C = 1000 at 750 °C. NiSi is also a promising candidate comparable to TiSi 2 in thermal efficiency, Experimentally, an un-optimized 200 nm-diameter TiSi 2 nanoparticle-silicone solar selective coating has already achieved η therm = 89.8% for C = 1000 at 750 °C. This performance is consistent with the theoretical model and close to the thermal efficiency of the commercial Pyromark 2500 coatings (90.1%). We also demonstrate that Ni/NiSi core-shell structures embedded in the SiO 1.5 matrix is thermally stable at 750 °C for 1000 h in air. Lastly, these results indicate that silicide cermet coatings are promising to achieve high optical performance and high temperature thermal stability simultaneously.

14 SOLAR ENERGY↗
DOE OSTI2026

Exploring the keV-scale physics potential of CUORE

We present the analysis techniques developed to explore the keV-scale energy region of the Cryogenic Underground Observatory for Rare Events (CUORE) experiment, based on more than 2 metric ton yr of data collected over five years. By prioritizing a stricter selection over a larger exposure, we are able to optimize data selection for thresholds at 10 keV and 3 keV with 691 kg yr and 11 kg yr of data, respectively. We study how the performance varies among the 988-detector array with different detector characteristics and data-taking conditions. We achieve an average baseline resolution of 2.54 ±0.14 keV FWHM and 1.18 ±0.02 keV FWHM for the data selection at 10 keV and 3 keV, respectively. The analysis methods employed reduce the overall background by about an order of magnitude, reaching 2.06±0.05 counts/(keV kg days) and 16±2 counts/(keV kg days) at the thresholds of 10 keV and 3 keV. We evaluate for the first time the near-threshold reconstruction efficiencies of the CUORE experiment, and find these to be 50 ±2% and 26 ±4% at 10 keV and 3 keV, respectively. This analysis provides crucial insights into rare decay studies, new physics searches, and keV-scale background modeling with CUORE. We demonstrate that ton-scale cryogenic calorimeters can operate across a wide energy range, from keV to MeV, establishing their scalability as versatile detectors for rare event and dark matter physics. These findings also inform the optimization of future large mass cryogenic calorimeters to enhance the sensitivity to low-energy phenomena.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

OmicsMLMentor: A Web Application for Guided Machine Learning Analysis of Omics Data

Expression-based omics technologies (e.g. proteomics, metabolomics, transcriptomics, etc.) increasingly rely on supervised and unsupervised machine learning (ML) models to find key biomolecules distinguishing conditions, identify natural groupings in biological data, or generate predictions for outcomes of interest. Fitting ML models to omics data presents several challenges, including handling missing data, selecting a normalization method, choosing a valid model, and optimizing hyperparameters, all requiring statistical programming skills to address these challenges. Thus, the open-source web application SLOPE was designed to lower the barrier to ML modeling for omics data. SLOPE supports the fitting of 15 ML models (10 supervised and 5 unsupervised) tailored to omics datasets, such as proteomics, metabolomics, lipidomics, and transcriptomics. SLOPE offers several omics-specific features, including methods for handling missingness (imputation, conversion, removal), normalization tests, ranking of models based on the structure of a user’s data and user input, and optimal hyperparameter selections using cross-validation splits. By streamlining ML workflows for omics analysis, SLOPE address critical gaps in existing online web tools, facilitating a broader adoption of these models for omics research. Here, SLOPE is applied to data from a lignin exposure study to highlight the workflow for fitting both supervised and unsupervised models to data.

lipidomics↗
DOE OSTI2025

A device for volatile organic compound (VOC) analysis from skin using heated dynamic headspace sampling

Abstract Human skin is an important source of volatile organic compounds (VOCs) offering noninvasive methods to gain clinical metabolite information. This work was focused on the development of a skin sampling device based on a dynamic headspace sampling method with the addition of temperature to increase VOC metabolite recovery. The device preconcentrates skin VOC emissions onto a sorbent substrate, which can either be preserved for offline analysis or attached to a real time sensor downstream. In this work, skin VOC samples were analyzed offline using thermal desorption-gas chromatography-mass spectrometry. A list of 10 common skin VOCs was pre-selected to optimize parameters of sampling time, sampling temperature, and sorbent selection. Overall, this study highlights an effective skin VOC sampling technology with a heating dimension (40 °C, rather than 30 °C or no heating) with a sampling time of 15 min (rather than 5 or 30 mins) and onto Tenax TA sorbent (rather than PDMS), which collectively increases the recovery of compounds with lower vapor pressure and decreases the observed variability in skin VOC measurements. Finally, a list of 79 skin VOC compounds were detected and identified within a cohort of 20 young, healthy volunteers.

Biochemistry & Molecular Biology↗
DOE OSTI2017

Measurement of the D + -meson production cross section at low transverse momentum in p p ¯ collisions at s = 1.96 TeV

We report on a measurement of the D + -meson production cross section as a function of transverse momentum (p T ) in proton-antiproton (p$\bar{p}$) collisions at 1.96 TeV center-of-mass energy, using the full data set collected by the Collider Detector at Fermilab in Tevatron Run II and corresponding to 10 fb -1 of integrated luminosity. We use D + →K - π + π + decays fully reconstructed in the central rapidity region |y|<1 with transverse momentum down to 1.5 GeV/c, a range previously unexplored in p$\bar{p}$ collisions. Inelastic p$\bar{p}$ scattering events are selected online using minimally biasing requirements followed by an optimized offline selection. The K - π + π + mass distribution is used to identify the D + signal, and the D + transverse impact-parameter distribution is used to separate prompt production, occurring directly in the hard-scattering process, from secondary production from b-hadron decays. We obtain a prompt D + signal of 2950 candidates corresponding to a total cross section σ(D + ,1.5 T <14.5 GeV/c,|y|<1)=71.9±6.8(stat)±9.3(syst) μb. While the measured cross sections are consistent with theoretical estimates in each p T bin, the shape of the observed p T spectrum is softer than the expectation from quantum chromodynamics. The results are unique in p$\bar{p}$ collisions and can improve the shape and uncertainties of future predictions.

(K-↗
DOE OSTI2021

A Generic Two-Vector Model Predictive Control for Hybrid Multilevel Converters

In this article, a generic two-vector model predictive control (TV-MPC) strategy is proposed for the hybrid multilevel converters (HMCs). The proposed method selects two optimal voltage vectors among all the vector candidates using a geometric positioning approach to reduce the computational burden, which is a common issue in the existing MPC methods for HMC. Then duty cycles of the two selected vectors are optimized to minimize the current tracking error, such that the current tracking performance can be enhanced compared with the conventional MPC. In addition, the voltages of the floating dc capacitors can be balanced by evaluating all switching sequences that belong to the optimal voltage vectors with optimal duty cycles. Here, the concept of the proposed TV-MPC is generic and applicable for any HMCs. A typical HMC based on active neutral-point-clamped topology is adopted as a case study in this work. Comprehensive simulation and experimental studies are performed on an all silicon-carbide HMC prototype to validate the effectiveness of the proposed control scheme.

42 ENGINEERING↗