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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 991 records · Page 55

MODIS On-orbit Calibration: Key Issues and Approaches

MODIS, one of the key instruments for the NASA's Earth Observing System (EOS), is currently operating on both the Terra and Aqua spacecraft making continuous observations in 36 spectral bands from 0.4 to 14.4 micrometers. A complete suite of on-board calibrators (OBC) have been designed for the instruments' on-orbit calibration and characterization, including a solar diffuser (SD) and solar diffuser stability monitor (SDSM) system for the radiometric calibration of the 20 reflective solar bands (RSB), a blackbody (BB) for the radiometric calibration of the 16 thermal emissive bands (TEZB), and a spectro-radiometric calibration assembly (SRCA) for the sensors' spatial and spectral characterization. The task of continuously performing high quality on-orbit calibration and characterization of all 36 spectral bands with a total of 490 detectors located on four focal plane assemblies is extremely challenging. The use of a large two-sided paddle wheel scan mirror with a +/- 55 deg scan angle range and a retractable pinhole attenuation screen in front of the SD panel for calibrating the high gain bands have resulted in additional unanticipated complexity. In this paper, we describe some of the key issues in the Terra and Aqua MODIS on-orbit calibration and characterization, and discuss the methods developed to solve these problems or to reduce their impact on the Level 1B calibration algorithms. Instrument performance and current issues are also presented.

Xiong, Xian-Xiong↗

BETO 2021 Peer Review - Analytical Development and Standardization for Biomass-Derived Thermochemical Liquids

This project began in FY14 to address the lack of standard chemical characterization analytical methods for bio-oils. Bio-oils are very complex and present numerous analytical challenges; yet reliable chemical information (quantification of both individual compounds and chemical functional groups) is needed to inform upgrading research and refinery co-processing. In this project, analysis needs are first determined from engaging the bioenergy community. Next, standard methods are developed to meet these needs, and then subsequently validated via inter-laboratory studies. Methods that are successfully validated (< 10% variability) are then shared as Laboratory Analytical Procedures (LAPs), which are free and publicly available. We have been tracking LAP use and have seen sustained usage as evidenced by an average of 500 pages views and 100 downloads per quarter, demonstrating the value of these methods to the bioenergy community. LAP methods that are particularly useful and reliable will be chosen for the next-level of standardization through ASTM. We have recently achieved approval by ASTM for our carbonyl titration method. This method (ASTM E3146) is the first example of an ASTM standard solely focused on the chemical characterization of bio-oils. Work in this project is meeting the analysis needs of the bioenergy community and will ultimately help enable the commoditization of bio-oils.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Durability Characterization of Mechanical Interfaces in Solar Sail Membrane Structures

The construction of a solar sail from commercially available metallized film presents several challenges. The solar sail membrane is made by seaming together strips of metallized polymer film. This requires seaming together a preselected width and thickness of a base material into the required geometry, and folding the assembled sail membranes into a small stowage volume prior to launch. The sail membranes must have additional features for connecting to rigid structural elements (e.g., sail booms) and must be electrically grounded to the spacecraft bus to prevent charge build up. Space durability of the material and mechanical interfaces of the sail membrane assemblies will be critical for the success of any solar sail mission. In this study, interfaces of polymer/metal joints in a representative solar sail membrane assembly were tested to ensure that the adhesive interfaces and the fastening grommets could withstand the temperature range and expected loads required for mission success. Various adhesion methods, such as surface treatment, commercial adhesives, and fastening systems, were experimentally evaluated and will be discussed.

Interface↗

Effects of the Orion Launch Abort Vehicle Plumes on Aerodynamics and Controllability

Characterization of the launch abort system of the Multi-purpose Crew Vehicle (MPCV) for control design and accurate simulation has provided a significant challenge to aerodynamicists and design engineers. The design space of the launch abort vehicle (LAV) includes operational altitudes from ground level to approximately 300,000 feet, Mach numbers from 0-9, and peak dynamic pressure near 1300psf during transonic flight. Further complicating the characterization of the aerodynamics and the resultant vehicle controllability is the interaction of the vehicle flowfield with the plumes of the two solid propellant motors that provide attitude control and the main propulsive impulse for the LAV. These interactions are a function of flight parameters such as Mach number, altitude, dynamic pressure, vehicle attitude, as well as parameters relating to the operation of the motors themselves - either as a function of time for the AM, or as a result of the flight control system requests for control torque from the ACM. This paper discusses the computational aerodynamic modeling of the aerodynamic interaction caused by main abort motor and the attitude control motor of the MPCV LAV, showing the effects of these interactions on vehicle controllability.

Vicker, Darby↗

Emergent properties at oxide interfaces controlled by ferroelectric polarization

Abstract Ferroelectric materials are characterized by the spontaneous polarization switchable by the applied fields, which can act as a “gate” to control various properties of ferroelectric/insulator interfaces. Here we review the recent studies on the modulation of oxide hetero-/homo-interfaces by ferroelectric polarization. We discuss the potential applications of recently developed four-dimensional scanning transmission electron microscopy and how it can provide insights into the fundamental understanding of ferroelectric polarization-induced phenomena and stimulate future computational studies. Finally, we give the outlook for the potentials, the challenges, and the opportunities for the contribution of materials computation to future progress in the area.

Chemistry↗

Scalable Synthesis and Characterization of Multilayer γ-Graphyne, New Carbon Crystals with a Small Direct Band Gap

γ-Graphyne is the most symmetric sp 2 /sp 1 allotrope of carbon, which can be viewed as graphene uniformly expanded through the insertion of two-carbon acetylenic units between all the aromatic rings. To date, synthesis of bulk γ-graphyne has remained a challenge. In this work, we report the synthesis of multilayer γ-graphyne through crystallization-assisted irreversible cross-coupling polymerization. A comprehensive characterization of this new carbon phase is described, including synchrotron powder X-ray diffraction, electron diffraction, lateral force microscopy, Raman spectroscopy, infrared spectroscopy, and cyclic voltammetry. Experiments indicate that γ-graphyne is a 0.48 eV band gap semiconductor, with a hexagonal a-axis spacing of 6.88 Å and an interlayer spacing of 3.48 Å, which is consistent with theoretical predictions. The observed crystal structure has an aperiodic sheet stacking. The material is thermally stable up to 240 °C but undergoes transformation at higher temperatures. While conventional 2D polymerization and reticular chemistry rely on error correction through reversibility, we demonstrate that a periodic covalent lattice can be synthesized under purely kinetic control. The reported methodology is scalable and inspires extension to other allotropes of the graphyne family.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Application of a Near Infrared Imaging System for Thermographic Imaging of the Space Shuttle during Hypersonic Re-Entry

High resolution calibrated near infrared (NIR) imagery was obtained of the Space Shuttle s reentry during STS-119, STS-125, and STS-128 missions. The infrared imagery was collected using a US Navy NP-3D Orion aircraft using a long-range infrared optical package referred to as Cast Glance. The slant ranges between the Space Shuttle and Cast Glance were approximately 26-41 nautical miles at point of closest approach. The Hypersonic Thermodynamic Infrared Measurements (HYTHIRM) project was a NASA Langley led endeavor sponsored by the NASA Engineering Safety Center, the Space Shuttle Program Office and the NASA Aeronautics Research Mission Directorate to demonstrate a quantitative thermal imaging capability. HYTHIRM required several mission tools to acquire the imagery. These tools include pre-mission acquisition simulations of the Shuttle trajectory in relationship to the Cast Glance aircraft flight path, radiance modeling to predict the infrared response of the Shuttle, and post mission analysis tools to process the infrared imagery to quantitative temperature maps. The spatially resolved global thermal measurements made during the Shuttle s hypersonic reentry provides valuable flight data for reducing the uncertainty associated with present day ground-to-flight extrapolation techniques and current state-of-the-art empirical boundary-layer transition or turbulent heating prediction methods. Laminar and turbulent flight data is considered critical for the development of turbulence models supporting NASA s next-generation spacecraft. This paper will provide the motivation and details behind the use of an upgraded NIR imaging system used onboard a Navy Cast Glance aircraft and describe the characterizations and procedures performed to obtain quantitative temperature maps. A brief description and assessment will be provided of the previously used analog NIR camera along with image examples from Shuttle missions STS-121, STS-115, and solar tower test. These thermal observations confirmed the challenge of a long-range acquisition during re-entry. These challenges are due to unknown atmospheric conditions, image saturation, vibration etc. This provides the motivation for the use of a digital NIR sensor. The characterizations performed on the digital NIR sensor included radiometric, spatial, and spectral measurements using blackbody radiation sources and known targets. An assessment of the collected data for three Space Shuttle atmospheric re-entries, STS-119, STS-125, and STS-128, are provided along with a description of various events of interest captured using the digital NIR imaging system such as RCS firings and boundary layer transitions. Lastly the process used to convert the raw image counts to quantitative temperatures is presented along with comparisons to the Space Shuttle's onboard thermocouples.

Zalameda, Joseph N.↗

Advanced mass balance characterization and fractionation of algal biomass composition

Abstract Opportunities associated with biomass production and bioproduct isolation from algae-derived feedstocks are plentiful and promising; however, there are challenges associated with realizing these applications. One of the most important, and often overlooked, challenges is the lack of availability of a strong foundation of compositional analysis methods validated on microalgal biomass. Currently, compositional analysis in algae is dominated by the use of interference-prone methods, a lack of full mass balance accounting, and the use of top-down approaches that bin all unaccounted-for mass into a single category, such as carbohydrates. We present here an approach based on a bottom-up algal biomass characterization aimed at moving towards, and highlighting the importance of, full and accurate mass closure to achieve the maximum economic potential from a sustainable and renewable feedstock. Algal biomass representing three genera, Nannochloropsis , Scenedesmus , and Monoraphidium , was subjected to a cell rupture and fractionation process, followed by detailed characterization of each fraction to determine the partitioning of measured and unknown components. The goal of this work is to identify where the missing components partition, and develop a strategy to close the mass balance or identify the unknowns, while utilizing a rigorous characterization approach for characterizing algal biomass. Although only 75–80% of the biomass was accounted for, the fractionation approach utilized here provides key insight into possible chemical components for future investigations.

59 BASIC BIOLOGICAL SCIENCES↗

Evaluating the state-of-the-art in remote volcanic eruption characterization Part II: Ulawun volcano, Papua New Guinea

Retrospective eruption characterization is valuable for advancing our understanding of volcanic systems and evaluating our observational capabilities, especially with remote technologies (defined here as a space-borne system or non-local, ground-based instrumentation which include regional and remote infrasound sensors). In June 2019, the open-system Ulawun volcano, Papua New Guinea, produced a VEI 4 eruption. We combined data from satellites (including Sentinel-2, TROPOMI, MODIS, Himawari-8), the International Monitoring System infrasound network, and GLD360 globally detected lightning with information from the local authorities and social media to characterize the pre-, syn- and post-eruptive behaviour. The Rabaul Volcano Observatory recorded ~24 h of seismicity and detected SO 2 emissions ~16 h before the visually-documented start of the Plinian phase on 26 June at 04:20 UTC. Infrasound and SO2 detections suggest the eruption started during the night on 24 June 2019 at 10:39 UTC ~38 h before ash detections with a gas-dominated jetting phase. Local reports and infrasound detections show that the second phase of the eruption started on 25 June 19:28 UTC with ~6 h of jetting. The first detected lightning occurred on 26 June 00:14 UTC, and ash emissions were first detected by Himawari-8 at 01:00 UTC. Post-eruptive satellite imagery indicates new flow deposits to the south and north of the edifice and ash fall to the west and southwest. In particular, regional infrasound data provided novel insight into eruption onset and syn-eruptive changes in intensity. We conclude that, while remote observations are sufficient for detection and tracking of syn-eruptive changes, key challenges in data latency, acquisition, and synthesis must be addressed to improve future near-real-time characterization of eruptions at minimally-monitored or unmonitored volcanoes.

58 GEOSCIENCES↗

The Singlet–Triplet Gap of Cyclobutadiene: The CIPSI-Driven CC( P ; Q ) Study

An accurate determination of singlet−triplet gaps in biradicals, including cyclobutadiene in the automerization barrier region where one has to balance the substantial nondynamical many-electron correlation effects characterizing the singlet ground state with the predominantly dynamical correlations of the lowest-energy triplet, remains a challenge for many quantum chemistry methods. High-level coupled-cluster (CC) approaches, such as the CC method with a full treatment of singly, doubly, and triply excited clusters (CCSDT), are often capable of providing reliable results, but routine application of such methods is hindered by their high computational costs. We have recently proposed a practical alternative to converging the CCSDT energetics at small fractions of the computational effort, even when electron correlations become stronger and connected triply excited clusters are larger and nonperturbative, by merging the CC(P;Q) moment expansions with the selected configuration interaction methodology abbreviated as CIPSI. We demonstrate that one can accurately approximate the highly accurate CCSDT potential surfaces characterizing the lowest singlet and triplet states of cyclobutadiene along the automerization coordinate and the gap between them using tiny fractions of triply excited cluster amplitudes identified with the help of relatively inexpensive CIPSI Hamiltonian diagonalizations.

Basis sets↗

Coupled Biotic-Abiotic Processes Control Biogeochemical Cycling of Dissolved Organic Matter in the Columbia River Hyporheic Zone

A critical component of assessing the impacts of climate change on watershed ecosystems involves understanding the role that dissolved organic matter (DOM) plays in driving whole ecosystem metabolism. The hyporheic zone—a biogeochemical control point where ground water and river water mix—is characterized by high DOM turnover and microbial activity and is responsible for a large fraction of lotic respiration. Yet, the dynamic nature of this ecotone provides a challenging but important environment to parse out different DOM influences on watershed function and net carbon and nutrient fluxes. We used high-resolution Fourier-transform ion cyclotron resonance mass spectrometry to provide a detailed molecular characterization of DOM and its transformation pathways in the Columbia river watershed. Samples were collected from ground water (adjacent unconfined aquifer underlying the Hanford 300 Area), Columbia river water, and its hyporheic zone. The hyporheic zone was sampled at five locations to capture spatial heterogeneity within the hyporheic zone. Our results revealed that abiotic transformation pathways (e.g., carboxylation), potentially driven by abiotic factors such as sunlight, in both the ground water and river water are likely influencing DOM availability to the hyporheic zone, which could then be coupled with biotic processes for enhanced microbial activity. The ground water profile revealed high rates of N and S transformations via abiotic reactions. The river profile showed enhanced abiotic photodegradation of lignin-like molecules that subsequently entered the hyporheic zone as low molecular weight, more degraded compounds. While the compounds in river water were in part bio-unavailable, some were further shown to increase rates of microbial respiration. Together, river water and ground water enhance microbial activity within the hyporheic zone, regardless of river stage, as shown by elevated putative amino-acid transformations and the abundance of amino-sugar and protein-like compounds. This enhanced microbial activity is further dependent on the composition of ground water and river water inputs. Our results further suggest that abiotic controls on DOM should be incorporated into predictive modeling for understanding watershed dynamics, especially as climate variability and land use could affect light exposure and changes to ground water essential elements, both shown to impact the Columbia river hyporheic zone.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An Ensemble Score Filter for Tracking High-Dimensional Nonlinear Dynamical Systems

We propose an ensemble score filter (EnSF) for solving high-dimensional nonlinear filtering problems with superior accuracy. A major drawback of existing filtering methods, e.g., particle filters or ensemble Kalman filters, is the low accuracy in handling high-dimensional and highly nonlinear problems. EnSF attacks this challenge by exploiting the score-based diffusion model, defined in a pseudo-temporal domain, to characterizing the evolution of the filtering density. EnSF stores the information of the recursively updated filtering density function in the score function, in stead of storing the information in a set of finite Monte Carlo samples (used in particle filters and ensemble Kalman filters). Unlike existing diffusion models that train neural networks to approximate the score function, we develop a training-free score estimation that uses mini-batch-based Monte Carlo estimator to directly approximate the score function at any pseudo-spatial-temporal location, which provides sufficient accuracy in solving high-dimensional nonlinear problems as well as saves tremendous amount of time spent on training neural networks. Another essential aspect of EnSF is its analytical update step, gradually incorporating data information into the score function, which is crucial in mitigating the degeneracy issue faced when dealing with very high-dimensional nonlinear filtering problems. High-dimensional Lorenz systems are used to demonstrate the performance of our method. EnSF provides surprisingly impressive performance in reliably tracking extremely high-dimensional Lorenz systems (up to 1,000,000 dimension) with highly nonlinear observation processes, which is a well-known challenging problem for existing filtering methods.

97 MATHEMATICS AND COMPUTING↗

In situ x-ray photoelectron spectroscopy analysis of electrochemical interfaces in battery: Recent advances and remaining challenges

An in-depth understanding of charge transfer processes at the electrochemical interfaces is a critical knowledge gap impeding the design of energy storage materials. X-ray photoelectron spectroscopy plays an important role in analyzing electronic structures of heterogeneous interfaces, such as electrode-electrolyte interphases. Correspondingly, ex situ studies based on postmortem analysis of electrode materials using x-ray techniques are widely reported in the literature but often fail to capture intermediate and transient species, which are critical for a predictive understanding of the charge transfer process. The lack of extensive in situ/operando x-ray analysis of buried interfaces in energy storage systems can be mainly attributed to technical limitations, such as the requirement of high vacuum conditions. However, in the past decade, considerable efforts have been devoted to overcoming these technical barriers and enable investigation of the solid/solid and solid/liquid interfaces. This review catalogs some of the recent progresses and new experimental designs in the application of in situ and operando x-ray photoelectron spectroscopy toward characterizing interfacial processes and emergent properties, which can help build the design strategy for advanced batteries. The remaining challenges and future research directions are also discussed, as potential paths forward in this field.

Wi, Sungun↗

Combined Data and Deep Learning Model Uncertainties: An Application to the Measurement of Solid Fuel Regression Rate

In complex physical process characterization, such as the measurement of the regression rate for solid hybrid rocket fuels, where both the observation data and the model used have uncertainties originating from multiple sources, combining these in a systematic way for quantities of interest (QoI) remains a challenge. In this paper, we present a forward propagation uncertainty quantification (UQ) process to produce a probabilistic distribution for the observed regression rate r. We characterized two input data uncertainty sources from the experiment (the distortion from the camera U c and the non-zero-angle fuel placement U Y ), the prediction and model form uncertainty from the deep neural network (U m ), as well as the variability from the manually segmented images used for training it (U s ). Here, we conducted seven case studies on combinations of these uncertainty sources with the model form uncertainty. The main contribution of this paper is the investigation and inclusion of the experimental image data uncertainties involved, and how to include them in a workflow when the QoI is the result of multiple sequential processes.

42 ENGINEERING↗

Characterization of advanced nuclear materials under extreme environments

The performance of materials under extreme environments poses important fundamental questions about the behavior of condensed matter under far-from-equilibrium conditions. These conditions create challenges in materials design, testing and evaluation. One important aspect of advancing nuclear power is the discovery and investigation of new classes of materials able to withstand the harsh environments in nuclear reactors. However, investigating and understanding the performance of these materials requires sophisticated tools and characterization techniques and skills. Furthermore, the goal of this special issue is to present recent research on the characterization of the response of candidate advanced nuclear materials to extreme environments.

36 MATERIALS SCIENCE↗

Closures and Simulation for Thermal Radiation Transport in Stochastic Media with Nonlinear Temperature Dependence

Because of the practical challenge of rendering very complex realistic spatial structures for numerical work, it is common practice to resort to characterizing such media as stochastic mixtures of materials, ideally parametrized with low order statistics such as the mean, variance, and correlation functions of the now random material properties. This enables realizations of the medium to be repeatedly generated and radiation transport computations to, in principle, be performed for a large ensemble of these realizations to obtain a statistically well-characterized radiation field. Statistical post-processing yields desired quantities such as conditional and unconditional mean radiation flux and probability distributions of transmitted radiation. However, such computations prove expensive for all but the simplest stochastic geometries and are most suited for benchmarking approximate models. The most common approximations lead to homogenized media so that transport computations are required only on a single medium realization but by construct provide only limited statistical information on the radiation field. Almost all approximate approaches to this problem attempt to develop equations for low order moments of the radiation intensity (mean, second moment, correlation function) but inevitably encounter a closure problem: the equation for any statistical moment will contain terms depending on unknown higher-order moments. Thus, the challenge shifts to one of developing closure relations that relate the unknown moments to the lower order moments. Under very special conditions, an exact closure can be derived but in general closures are heuristically stated constitutive relations. Also, closure approaches depend on whether the mixing statistics are spatially and/or temporally continuous as in fluctuating turbulent fields, or discontinuous as in randomly mixed solid chunks of material. Thus, unconditional averaging is generally applied in the former case but conditional averaging is more appropriate when the mixing is discontinuous. In this work, the emphasis is on binary statistical mixtures of immiscible fluids as as such the quantities of interest are averages (flux, temperature) conditioned on the material type.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

SIR Glass Test Vehicle Designed to Characterize Process Materials

The exposure to harsh environments can result in reliability issues on highly dense electronic packages and circuit assemblies. One area of concern is electrochemical failure mechanisms caused by electrolytic corrosion, electrochemical migration (dendrites), and leakage currents under humid conditions. These no-fault and no-trouble found failure points are challenging to detect and to perform process control during the assembly process. The focus of this research centers on metallizing glass surface insulation resistance test vehicles to characterize materials on electronic packages and components that exhibit the highest risk of failure due to material interactions and process residues. Glass test vehicles provide a visual representation of materials when they are exposed to moisture content in the air. Harsh environments can cause material interactions resulting in morphology changes, opening, and release of active components. A transparent test vehicle is highly functional for environmental stress testing under temperature, humidity, and bias. The designed experiment will evaluate the effects of material and process residues that can undergo changes in behavior during application, which leads to local failures.

Capen, Bill↗

Sub-2 Kelvin Characterization of Nitrogen-Vacancy Centers in Silicon Carbide Nanopillars

The development of efficient quantum communication technologies depends on the innovation in multiple layers of its implementation, a challenge we address from the fundamental properties of the physical system at the nanoscale to the instrumentation level at the macroscale. We select a promising near-infrared quantum emitter, the nitrogen-vacancy (NV) center in 4H-SiC, and integrate it, at an ensemble level, with nanopillar structures that enhance photon collection efficiency into an objective lens. Moreover, changes in collection efficiency in pillars compared to bulk can serve as indicators of color center orientation in the lattice. To characterize NV center properties at the unprecedented sub-2 K temperatures, we incorporate compatible superconducting nanowire single photon detectors inside the chamber of an optical cryostat and create the ICECAP, the Integrated Cryogenic system for Emission, Collection And Photon detection. ICECAP measurements show no significant line-width broadening of NV ensemble emission and up to 14-fold enhancement in collected emission. With additional filtering, we measure emitter lifetimes of NV centers in a basal ( hk ) and axial ( kk ) orientation, unveiling their cryogenic values of 2.2 and 2.8 ns.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗