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DOE OSTI2021

Three-Dimensional Modeling of the Explicit Chemistry of Organic Aerosols: Formation, Removal, and Comparison with Observations

The major goals of the project were to further our understanding of the formation of secondary organic aerosols (SOA) from major anthropogenic and biogenic precursors, and to evaluate the GECKO-A chemistry model in the context of three DOE-led field campaigns (GoAmazon, BBOP, and HI-SCALE) with the long-term objective of improving the treatment of organic gases and particles in three-dimensional regional and global models. The three field campaigns were selected to evaluate and improve specific aspects of GECKO-A: (i) GoAmazon to help quantify interactions of biogenic and anthropogenic emissions; (ii) BBOP to predict the UV-visible absorption properties of biomass burning aerosols (brown carbon) from explicit molecular properties; and (iii) HI-SCALE to evaluate new model components that include aqueous (cloud) processing of organic gases and aerosols.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Cabin Thermal Management Analysis for SuperTruck II Next-Generation Hybrid Electric Truck Design

In this article, we present a multistage, coupled thermal management simulation approach, informed by physical testing where available, to aid design decisions for PACCAR's SuperTruck II hybrid truck cabin concept. Focus areas include cabin insulation, battery sizing, and sleeper curtain position, as well as heating, ventilating, and air-conditioning (HVAC) component and accessory configurations, to maintain or improve thermal comfort while saving energy. The authors analyzed weather data and determined the national vehicle miles traveled weighted temperature and solar conditions for long-haul trucks. Example weather day profiles were selected to approximate the 5th and 95th percentile weighted conditions. A daylong drive cycle was developed to impose appropriate external wind conditions during rest and driving periods. Using the National Renewable Energy Laboratory's vehicle HVAC modeling and simulation tool VTCab, HVAC load design trade-off studies for the new truck geometry concept were completed. Parameters analyzed included effects of paint color, insulation, glass transmissivity, and curtain location. Simulation results helped with early design material selections for efficient cabin climate control. A detailed three-dimensional computer-aided engineering (CAE), computational fluid dynamics (CFD), radiation, and human physiology co-simulation, referred to in this article as CAE Thermal-CFD, was used to evaluate thermal comfort and energy impacts of diffuser configurations and air supply settings in driving and hoteling modes. Analysis revealed that it is more difficult to heat the cabin in hoteling mode during the winter than to cool the space in the summer. This seasonal load profile drives the requirement of additional energy storage for heating comfort. To determine the battery capacity requirement, multiday HVAC operation drive cycle simulations were then completed, showing that a 15-kWh battery would be required for HVAC operation during hoteling. Results helped reduce cabin thermal loads, determine component sizing requirements, and improve occupant comfort to save fuel and contribute to the economic viability of the hybrid system.

33 ADVANCED PROPULSION SYSTEMS↗

NASA NTRS1979

Rail shear test method

The results of both an experimental test program and a finite element analysis of selected graphite/polyimide rail shear test specimens are discussed. The two dimensional finite element analysis includes both mechanical and thermal loading (differential expansion) of the specimens and their elastic rails. Parameters in this analysis of unidirectional and symmetric, balanced angle-ply laminates include ply layup angles, the effect of flexible rails, the method of load introduction to the specimen and the effect of uniform heating of the specimen and rails. Two types of tensile rail shear fixtures were investigated experimentally: a uniform thickness, bolted-rail shear fixture loaded diagonally across the specimen test section; and a tapered thickness, bonded-rail shear fixture loaded axially along the center-line of the specimen test section. Test results include room-temperature and 589K strain data taken from the center of the specimen test section during loading.

Garcia, R.↗

NASA NTRS1984

Objective measure of pilot workload

Timesharing behavior in a data-entry task, similar to a pilot entering navigation data into an on-board computer is investigated. Auditory reaction time as a function of stimulus information and dimensionality is examined. This study has direct implications for stimulus selection for secondary tasks used in the GAT flight simulator at Ames Research Center. Attenuation effects of heat and cold stress in a psychological refractory period task were studied. The focus of interest is the general effects of stress on attention rather than upon specific temperature related phenomena.

Kantowitz, B. H.↗

NASA NTRS1985

An expert system for choosing the best combination of options in a general-purpose program for automated design synthesis

An expert system was developed to aid a user of the Automated Design Synthesis (ADS) general-purpose optimization computer program in selecting the best combination of strategy, optimizer, and one-dimensional search options for solving a problem. There are approximately 100 such combinations available in ADS. The knowledge base contains over 200 rules, and is divided into three categories: constrained problems, unconstrained problems, and constrained problems treated as unconstrained problems. The inference engine is written in LISP and is available on DEC-VAX and IBM PC/XT computers.

Rogers, J. L., Jr.↗

NASA NTRS1992

Enabler operator station

The objective of this project was to design an onboard operator station for the conceptual Lunar Work Vehicle (LWV). This LWV would be used in the colonization of a lunar outpost. The details that follow, however, are for an earth-bound model. Several recommendations are made in the appendix as to the changes needed in material selection for the lunar environment. The operator station is designed dimensionally correct for an astronaut wearing the current space shuttle EVA suit (which includes life support). The proposed operator station will support and restrain an astronaut as well as provide protection from the hazards of vehicle rollover. The threat of suit puncture is eliminated by rounding all corners and edges. A step-plate, located at the front of the vehicle, provides excellent ease of entry and exit. The operator station weight requirements are met by making efficient use of grid members, semi-rigid members and woven fabrics.

Bailey, Andrea↗

NASA NTRS1995

Essentially nonoscillatory (ENO) reconstructions via extrapolation

In this paper, the algorithm for determining the stencil of a one-dimensional Essentially Nonoscillatory (ENO) reconstruction scheme on a uniform grid is reinterpreted as being based on extrapolation. This view leads to another extension of ENO reconstruction schemes to two-dimensional unstructured triangular meshes. The key idea here is to select several cells of the stencil in one step based on extrapolation rather than one cell at a time. Numerical experiments confirm that the new scheme yields sharp nonoscillatory reconstructions and that it is about five times faster than previous schemes.

Suresh, Ambady↗

NASA NTRS2001

Use of the Aerosonde Unihabited Aerial Vehicle (UAV) in the Fourth Convection and Moisture Experiment (CAMEX 4)

The Fourth Convection and Moisture Experiment (CAMEX 4) was a scientific field experiment based in Florida in summer 2001 focused on the study of hurricanes off the east coast of the United States. Sponsored by the National Aeronautics and Space Administration's Office of Earth Science, and conducted in collaboration with the National Oceanic and Atmospheric Administration's annual hurricane research program, CAMEX 4 utilized aircraft, ground-based and satellite instrumentation to obtain unprecedented, three dimensional characterizations of these important storms. The Aerosonde UAV was selected by NASA to participate in CAMEX 4 because it provided a unique capability to obtain measurements in the atmospheric boundary layer in and around the storms, unattainable by other platforms or measurement capabilities. This talk focuses on the NASA review process that was followed to coordinate the UAV activity with the conventional aircraft operations, as well as with the other participating agencies and the FAA. We will discuss how Aerosonde addressed the issues of safety, coordination and communication and summarize the lessons learned.

Hipskind, R. Stephen↗

DOE OSTI2024

Analysis of Waste Material Feedstocks Using Laser-Induced Breakdown Spectroscopy and Machine Learning

Predicting properties such as heating value, ash fusion temperature, and mineral ash composition from Laser-Induced Breakdown Spectroscopy (LIBS) data can make gasifiers more flexible to different feedstocks. Understanding these feedstock properties in-situ improves feedstock conversion modelling methods that allow for consistent operation, higher carbon conversion, and reduced fouling and erosion rates. The purpose of this study is to demonstrate methods for model creation that take LIBS data as predictor features and estimate higher order material properties as a function of feedstock material properties. Six samples were chosen to represent a mixture of abundant and carbon rich waste materials. LIBS measurements were performed on these samples for elemental wavelengths and intensity values. Laboratory analytical results were obtained for each sample’s heating value, proximate and ultimate analysis, mineral ash composition, ash fusion temperatures, and viscosity temperatures. Thermal conductivity was measured using a HotDisk TPS 2500S. LIBS measurements were processed and used as predictor features for machine learning (ML) models to predict the sample’s material properties. Predictor feature selection algorithms, particularly minimum redundancy maximum relevance (mRMR), reduced the dimensionality of ML models. Many modelling methods such as Gaussian process regression (GPR), regression tree, neural networks (NN), and support vector machines (SVM) were demonstrated to be effective at predicting higher order properties; however, mRMR with GPR stood out as a clear winning combination.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2020

Removing imaging systematics from galaxy clustering measurements with Obiwan: application to the SDSS-IV extended Baryon Oscillation Spectroscopic Survey emission-line galaxy sample

This article presents the application of a new tool, Obiwan, which uses image simulations to determine the selection function of a galaxy redshift survey and calculate three-dimensional (3D) clustering statistics. Obiwan relies on a forward model of the process by which images of the night sky are transformed into a 3D large-scale structure catalogue, and offers several advantages over more traditional map-based techniques – such as operating on individual exposures and adopting a maximum likelihood approach. The photometric pipeline automatically detects and models galaxies and then generates a catalogue of such galaxies with detailed information for each one of them, including their location, redshift, and so on. Systematic biases in the imaging data are therefore imparted into the catalogues and must be accounted for in any scientific analysis of their information content. Obiwan simulates this process for samples selected from the Legacy Surveys imaging data. This imaging data will be used to select target samples for the next-generation Dark Energy Spectroscopic Instrument (DESI) experiment. Here, we apply Obiwan to a portion of the SDSS-IV extended Baryon Oscillation Spectroscopic Survey emission-line galaxies (ELGs). Systematic biases in the data are clearly identified and removed. We compare the 3D clustering results to those obtained by the map-based approach applied to the complete eBOSS Data Release 16 (DR16) sample. We find the results are consistent, thereby validating the eBOSS DR16 ELG catalogues, which is used to obtain cosmological results.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

Microstructure selection in thin-sample directional solidification of an Al-Cu alloy: In situ X-ray imaging and phase-field simulations

We study microstructure selection during directional solidification of a thin metallic sample. We combine in situ X-ray radiography of a dilute Al-Cu alloy solidification experiments with three-dimensional phase-field simulations. We explore a range of temperature gradient G and growth velocity V and build a microstructure selection map for this alloy. We investigate the selection of the primary dendritic spacing Lambda and tip radius rho. While rho shows a good agreement between experimental measurements and dendrite growth theory, with rho similar to V-1/2, Lambda is observed to increase with V (partial derivative Lambda/partial derivative V > 0), in apparent disagreement with classical scaling laws for primary dendritic spacing, which predict that partial derivative Lambda/partial derivative V <0. We show through simulations that this trend inversion for Lambda(V) is due to liquid convection in our experiments, despite the thin sample configuration. We use a classical diffusion boundary-layer approximation to semi-quantitatively incorporate the effect of liquid convection into phase-field simulations. This approximation is implemented by assuming complete solute mixing outside a purely diffusive zone of constant thickness that surrounds the solid-liquid interface. This simple method enables us to quantitatively match experimental measurements of the planar morphological instability threshold and primary spacings over an order of magnitude in V. We explain the observed inversion of partial derivative Lambda/partial derivative V by a combination of slow transient dynamics of microstructural homogenization and the influence of the sample thickness.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Investigation of observational error sources in multi-Doppler-radar three-dimensional variational vertical air motion retrievals

Abstract. Multi-Doppler-radar network observations have been used in different configurations over the last several decades to conduct three-dimensional wind retrievals in mesoscale convective systems. Here, the impacts of the selected radar volume coverage pattern (VCP), the sampling time for the VCP, the number of radars used, and the added value of advection correction on the retrieval of the vertical air motion in the upper part of convective clouds are examined using the Weather Research and Forecasting (WRF) model simulation, the Cloud Resolving Model Radar SIMulator (CR-SIM), and a three-dimensional variational multi-Doppler-radar retrieval technique. Comparisons between the model truth (i.e., WRF kinematic fields) and updraft properties (updraft fraction, updraft magnitude, and mass flux) retrieved from the CR-SIM-generated multi-Doppler-radar field are used to investigate these impacts. The findings are that (1) the VCP elevation strategy and sampling time have a significant effect on the retrieved updraft properties above 6  km in altitude; (2) 2  min or shorter VCPs have small impacts on the retrievals, and the errors are comparable to retrievals using a snapshot cloud field; (3) increasing the density of elevation angles in the VCP appears to be more effective to reduce the uncertainty than an addition of data from one more radar, if the VCP is performed in 2  min ; and (4) the use of dense elevation angles combined with an advection correction applied to the 2  min VCPs can effectively improve the updraft retrievals, but for longer VCP sampling periods (5  min ) the value of advection correction is challenging. This study highlights several limiting factors in the retrieval of upper-level vertical velocity from multi-Doppler-radar networks and suggests that the use of rapid-scan radars can substantially improve the quality of wind retrievals if conducted in a limited spatial domain.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Selective patterning of out-of-plane piezoelectricity in MoTe 2 via focused ion beam

Two-dimensional transition-metal dichalcogenides (TMDs) have a strain-sensitive nature and can only exhibit in-plane piezoelectricity, owing to their in-plane inversion symmetry breaking, which limits their practical applications for vertical stimulations. Here, we demonstrated the capability of focused ion beams to create out-of-plane piezoelectricity on multi-layered MoTe 2 . We utilized a focused helium ion beam to selectively pattern the out-of-plane piezoelectricity via defect engineering in a layered MoTe 2 flake. The generated out-of-plane piezoelectricity in the desired area was quantitatively examined using atomic force microscopy, and ion beam irradiation-induced defect formation that gave rise to inversion symmetry breaking was confirmed. These results indicated that the out-of-plane piezoelectricity can be selectively patterned through a focused helium ion beam, and it is expected that this approach can also be applied to other classes of TMDs and can expand the application fields of TMD-based devices.

36 MATERIALS SCIENCE↗

NASA NTRSDate not supplied

Comparison of Exploration Oxygen Recovery Technology Options Using ESM and LSMAC

In preparation for long duration manned space flight, numerous technology development efforts are ongoing in the area of environmental control and life support (ECLS). In cooperation with international, industry, and academic partners, NASA seeks to leverage the International Space Station as a testbed for technologies targeted for Exploration-class missions. In recent years, Equivalent Systems Mass (ESM) analyses have been conducted to evaluate the relative breakeven points and to compare technologies as part of ECLS architectural trades. While these studies have provided important data pertaining to key engineering metrics, additional considerations are important to more fully understand the potential impacts and costs associated with selecting a specific architecture. A tool, called the Life Support Multi-Dimensional Assessment Criteria (LSMAC), was recently proposed by Sierra Nevada Corporation in an attempt to incorporate influences of these additional considerations including Maintainability, Risk Analysis, Technology Readiness Level, Radiation Impacts, Manufacturing Costs, Reliability, Human Factors, and Un-Crewed Operations. As a first step toward evaluating and implementing this tool, LSMAC was used to revisit the ISS oxygen recovery trade from the 1990’s wherein Sabatier was selected over Bosch technology. Second, the tool was used to compare oxygen recovery developmental technologies currently in work. The results of these studies as well as a comparison with standalone ESM analyses are reported. Further, a discussion of the potential application of the tool across the ECLS portfolio and its potential use in future technology selection for ISS flight demonstrations is provided.

Morgan B Abney↗

DOE OSTI2024

Area-selective deposition of germanium on patterned graphene/monolayer molybdenum disulfide stacks via dipole engineering

Heterogeneous integration of two-dimensional materials and the conventional semiconductor has opened opportunities for next-generation semiconductor devices and their processing. Heterogeneous integration has been studied for economical manufacturing by substrate recycling and novel functionalities by a combination of incommensurate materials. However, utilizing the integration requires controlling locations of the integrated architectures. Here, we show area-selective deposition (ASD) of germanium on the graphene/MoS 2 stack. Ge nucleation precisely occurred on the surfaces of the patterned graphene/MoS 2 stack via dipole engineering. In this study, the growth temperature of ASD of Ge was significantly lower than that based on precursor desorption on SiO 2 . The first-principles calculations revealed that Ge deposited by ASD on the graphene/MoS 2 stack was not affected by charge transfer. This work provides a viable way to utilize atomically thin materials for next-generation semiconductor devices, which can be applicable for “Beyond Moore” and “More Moore” approaches.

2D materials↗

DOE OSTI2016

Adsorption-enhanced hydrolysis of glucan oligomers into glucose over sulfonated three-dimensionally ordered mesoporous carbon catalysts

The hydrolysis of cellulose and β(1 → 4) oligosaccharides on carbon catalysts is a promising approach for the selective production of glucose from cellulose and its derivatives. In this study, a structure–property relationship was developed for the hydrolysis of water soluble glucan oligomers over three dimensionally ordered mesoporous (3DOm) carbon with sulfonic acid groups. It was found that the number of sulfonic acid groups on 3DOm carbon catalysts and their adsorption properties need to be optimized to maximize the hydrolysis of water soluble glucan oligomers. The adsorption capacity of glucan oligomers on 3DOm carbon increases with their chain length, which can be attributed to two molecular behaviors: (a) long glucan oligomers adsorbed on the carbon surface exhibit a dense packing structure compared with relatively small glucan oligomers; and (b) a part of a glucan oligomer “dangles” off the carbon surface due to its branched structure. Furthermore, it was found that the adsorption enthalpy and entropy increased with increasing the chain length of the glucan oligomers, which favors the hydrolysis reaction to produce glucose over the carbon catalysts.

09 BIOMASS FUELS↗

NASA NTRS1999

In vitro selection of functional nucleic acids

In vitro selection allows rare functional RNA or DNA molecules to be isolated from pools of over 10(15) different sequences. This approach has been used to identify RNA and DNA ligands for numerous small molecules, and recent three-dimensional structure solutions have revealed the basis for ligand recognition in several cases. By selecting high-affinity and -specificity nucleic acid ligands for proteins, promising new therapeutic and diagnostic reagents have been identified. Selection experiments have also been carried out to identify ribozymes that catalyze a variety of chemical transformations, including RNA cleavage, ligation, and synthesis, as well as alkylation and acyl-transfer reactions and N-glycosidic and peptide bond formation. The existence of such RNA enzymes supports the notion that ribozymes could have directed a primitive metabolism before the evolution of protein synthesis. New in vitro protein selection techniques should allow for a direct comparison of the frequency of ligand binding and catalytic structures in pools of random sequence polynucleotides versus polypeptides.

Review↗

NASA NTRS2002

Groundbased IO [O I] 6300A Observations during the Galileo I24 and I25 and Cassini Encounters

We report on selected recent spectroscopic observations of Io [OI] 6300Angstrom emission, using the high-resolution (R approximately equal to 120,000) stellar spectrograph at the National Solar Observatory McMath-Pierce telescope. These data were obtained during the Galileo I24 (1999-Oct-11) and I25 (1999-Nov-26) encounters with Io and the Cassini Jupiter encounter (closest approach 2000-Dec-30). The exposure time for each spectrum was 15 minutes, with a 5.2 second x 5.2 second aperture centered on Io. We obtained 102 spectra for the I24 encounter during 1999 October 9-13, 82 spectra for the I25 encounter during 1999 November 24-28, 313 spectra during 2000 December 11-23, and 280 spectra during 2000 December 29-2001 January 21 for the Cassini Jupiter encounter. We showed in a recent paper (Oliversen et al. 2001, JGR, 106, 26183) that this emission allows us to use Io as a localized probe of the three-dimensional plasma torus structure. We will also present preliminary results on selected contemporaneous narrowband [SII]6731A torus images obtained at the McMath-Pierce west auxiliary telescope. We took 136, 112, and 277 torus images during the Galileo I24, Galileo I25 and Cassini Jupiter encounters, respectively. Jupiter was imaged directly onto the CCD through a ND 4 filter and the reflected light was used for guiding. Both sides of the torus were imaged simultaneously when there were no Galilean satellites between 3-8 Jovian radii from Jupiter.

Oliverson, R. J.↗