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Synthesis and symmetry of perovskite oxynitride CaW(O,N) 3

Perovskite oxynitrides, in addition to being promising electrocatalysts and photoabsorbers, present an interesting case study in crystal symmetry. Full or partial ordering of the O and N anions affects global symmetry and influences material performance and functionality; however, anion ordering is challenging to detect experimentally. In this work, we synthesize a novel perovskite oxynitride CaW(O,N) 3 and characterize its crystal structure using both X-ray and neutron diffraction. Through co-refinement of the diffraction patterns with a range of literature and theory-derived model structures, we demonstrate that CaW(O,N) 3 adopts an orthorhombic Pnma average structure and exhibits octahedral distortion with evidence for preferred anion site occupancy. However, through comparison with a large, low-symmetry unit cell, we identify the presence of disorder that is not fully accounted for by the high-symmetry model. We compare CaW(O,N) 3 with SrW(O,N) 3 to demonstrate the broader presence of such disorder and identify contrasting features in the electronic structures. This work signifies an updated perspective on the inherent crystal symmetry present in perovskite oxynitrides.

36 MATERIALS SCIENCE↗

Materials Data on CaW by Materials Project

CaW is Zintl Phase structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional and consists of two CaW frameworks. Ca is bonded to four equivalent W atoms to form distorted corner-sharing CaW4 tetrahedra. All Ca–W bond lengths are 2.99 Å. W is bonded to four equivalent Ca atoms to form distorted corner-sharing WCa4 tetrahedra.

36 MATERIALS SCIENCE↗

Official Report on the 2021 Computational and Autonomous Workflows Workshop (CAW 2021)

This technical report documents the Computational and Autonomous Workflows (CAW) workshop held at ORNL (Oak Ridge National Laboratory) in July 2021. The theme of the workshop was "FAIR workflows". This document describes the workshop and takeaways for the Department of Energy, for ORNL, and for the Oak Ridge Leadership Computing Facility.

42 ENGINEERING↗

UFMP and CAW Bioreactor Metagenome

CSTR anaerobic bioreactors fed UltraFiltered Milk Permeate (UFMP) and Cottage cheese Acid Whey (CAW) were inoculated with acid sludge microbial communities and monitored overtime for lactic acid production. Samples were taken for metagenomics analyses.

bioreactor metagenome↗

A Model for the Effectiveness of Aircraft Alerting and Warning Systems

The effectiveness of an alerting system with a single alert was analyzed. The pilot's decision behavior is modeled by the theory of signal detection and therefore accounts for different strengths of cross check information and different pilot criteria. The model includes the effects of the alerting and warning system (CAWS) error rate; the pilot's past experience with the CAWS accuracy; his reliance on the CAWS rather than independent monitoring; missed alerts; and adoption of a minimum error or Neyman-Pearson objective rather than minimum cost objective. It is showwn that for rare events: (1) the expected cost is greatly increased if the pilot ignores the a posteriori information in the existence of an alert; (2) the expected cost is insensitive to CAWS Type 1 errors; and (3) the expected cost is sensitive to CAWS type 2 errors only when the cross check information is ambiguous.

Curry, R. E.↗

Microbiome response in an urban river system is dominated by seasonality over wastewater treatment upgrades

Background: Microorganisms such as coliform-forming bacteria are commonly used to assess freshwater quality for drinking and recreational use. However, such organisms do not exist in isolation; they exist within the context of dynamic, interactive microbial communities which vary through space and time. Elucidating spatiotemporal microbial dynamics is imperative for discriminating robust community changes from ephemeral ecological trends, and for improving our overall understanding of the relationship between microbial communities and ecosystem health. We conducted a seven-year (2013–2019) microbial time-series investigation in the Chicago Area Waterways (CAWS): an urban river system which, in 2016, experienced substantial upgrades to disinfection processes at two wastewater reclamation plants (WRPs) that discharge into the CAWS and improved stormwater capture, to improve river water quality and reduce flooding. Using culture-independent and culture-dependent approaches, we compared CAWS microbial ecology before and after the intervention. Results: Examinations of time-resolved beta distances between WRP-adjacent sites showed that community similarity measures were often consistent with the spatial orientation of site locations to one another and to the WRP outfalls. Fecal coliform results suggested that upgrades reduced coliform-associated bacteria in the effluent and the downstream river community. However, examinations of whole community changes through time suggest that the upgrades did little to affect overall riverine community dynamics, which instead were overwhelmingly driven by yearly patterns consistent with seasonality. Conclusions: This study presents a systematic effort to combine 16S rRNA gene amplicon sequencing with traditional culture-based methods to evaluate the influence of treatment innovations and systems upgrades on the microbiome of the Chicago Area Waterway System, representing the longest and most comprehensive characterization of the microbiome of an urban waterway yet attempted. We found that the systems upgrades were successful in improving specific water quality measures immediately downstream of wastewater outflows. Additionally, we found that the implementation of the water quality improvement measures to the river system did not disrupt the overall dynamics of the downstream microbial community, which remained heavily influenced by seasonal trends. Such results emphasize the dynamic nature of microbiomes in open environmental systems such as the CAWS, but also suggest that the seasonal oscillations remain consistent even when perturbed.

16S rRNA gene sequencing↗

Relationship between circum-Arctic atmospheric wave patterns and large-scale wildfires in boreal summer

Long-term assessment of severe wildfires and associated air pollution and related climate patterns in and around the Arctic is essential for assessing healthy human life status. To examine the relationships, we analyzed the National Aeronautics and Space Administration (NASA) modern-era retrospective analysis for research and applications, version 2 (MERRA-2). Our investigation based on this state-of-the-art atmospheric reanalysis data reveals that 13 out of the 20 months with the highest PM2.5 (corresponding to the highly elevated organic carbon in the particulate organic matter [POM] form) monthly mean mass concentration over the Arctic for 2003–2017 were all in summer (July and August), during which POM of ⩾0.5 μg/cu. m and PM2.5 were positively correlated. This correlation suggests that high PM2.5 in the Arctic is linked to large wildfire contributions and characterized by significant anticyclonic anomalies (i.e. clockwise atmospheric circulation) with anomalous surface warmth and drier conditions over Siberia and subpolar North America, in addition to Europe. A similar climate pattern was also identified through an independent regression analysis for the July and August mean data between the same atmospheric variables and the sign-reversed Scandinavian pattern index. We named this pattern of recent atmospheric circulation anomalies the circum-Arctic wave (CAW) pattern as a manifestation of eastward group-velocity propagation of stationary Rossby waves (i.e. large-scale atmospheric waves). The CAW induces concomitant development of warm anticyclonic anomalies over Europe, Siberia, Alaska, and Canada, as observed in late June 2019. Surprisingly, the extended regression analysis of the 1980–2017 period revealed that the CAW pattern was not prominent before 2003. Understanding the CAW pattern under future climate change and global warming would lead to better prediction of co-occurrences of European heatwaves and large-scale wildfires with air pollution over Siberia, Alaska, and Canada in and around the Arctic in summer.

wildfire↗

Integrator Windup Protection-Techniques and a STOVL Aircraft Engine Controller Application

Integrators are included in the feedback loop of a control system to eliminate the steady state errors in the commanded variables. The integrator windup problem arises if the control actuators encounter operational limits before the steady state errors are driven to zero by the integrator. The typical effects of windup are large system oscillations, high steady state error, and a delayed system response following the windup. In this study, methods to prevent the integrator windup are examined to provide Integrator Windup Protection (IW) for an engine controller of a Short Take-Off and Vertical Landing (STOVL) aircraft. An unified performance index is defined to optimize the performance of the Conventional Anti-Windup (CAW) and the Modified Anti-Windup (MAW) methods. A modified Genetic Algorithm search procedure with stochastic parameter encoding is implemented to obtain the optimal parameters of the CAW scheme. The advantages and drawbacks of the CAW and MAW techniques are discussed and recommendations are made for the choice of the IWP scheme, given some characteristics of the system.

KrishnaKumar, K.↗

Effect of Temperature and pH on Microbial Communities Fermenting a Dairy Coproduct Mixture

Organic-rich industrial residues can serve as renewable feedstocks for the generation of useful products by microbial fermentation. We investigated fermenting communities enriched in a mixture of ultra-filtered milk permeate (UFMP) and acid whey from cottage cheese (CAW), two dairy coproducts rich in lactose. To evaluate how operational pH and temperature affect microbial communities and fermentation products, we operated 12 bioreactors for 140 days, each fed a 1:1 mixture of UFMP and CAW at either 35 °C or 50 °C and at either a pH of 4.8 or 5.5. The bioreactors operated at a pH of 4.8 resulted in the incomplete conversion of lactose, while those operated at a pH of 5.5 consistently fermented lactose, primarily into lactic, acetic, and hexanoic acids. The metagenomic analyses revealed that microbial communities obtained at a pH of 5.5 were dominated by lactic acid-producing organisms. Additionally, an inverse relationship was found between the abundance of chain elongating organisms and lactic acid accumulation, with 50 °C reducing the abundance of these organisms and enhancing lactic acid yields. We conclude that the pH and temperature are important determinants of the fermentation of dairy coproducts with a pH of 5.5 and 50 °C yielding the most promising results for lactic acid production. Additional research is required to better understand the factors affecting functional consistency of the process.

Biotechnology & Applied Microbiology↗

A comparison of two multi-variable integrator windup protection schemes

Two methods are examined for limit and integrator wind-up protection for multi-input, multi-output linear controllers subject to actuator constraints. The methods begin with an existing linear controller that satisfies the specifications for the nominal, small perturbation, linear model of the plant. The controllers are formulated to include an additional contribution to the state derivative calculations. The first method to be examined is the multi-variable version of the single-input, single-output, high gain, Conventional Anti-Windup (CAW) scheme. Except for the actuator limits, the CAW scheme is linear. The second scheme to be examined, denoted the Modified Anti-Windup (MAW) scheme, uses a scalar to modify the magnitude of the controller output vector while maintaining the vector direction. The calculation of the scalar modifier is a nonlinear function of the controller outputs and the actuator limits. In both cases the constrained actuator is tracked. These two integrator windup protection methods are demonstrated on a turbofan engine control system with five measurements, four control variables, and four actuators. The closed-loop responses of the two schemes are compared and contrasted during limit operation. The issue of maintaining the direction of the controller output vector using the Modified Anti-Windup scheme is discussed and the advantages and disadvantages of both of the IWP methods are presented.

Mattern, Duane↗

The Effects of Aviation Weather Information Systems on General Aviation Weather Information Systems on General Pilots' Workload

My work at NASA Langley has focused around Aviation Weather Information CAWING displays. The majority of my time at LYRIC has been spent on the Workload and Relative Position (WaRP) Study. The goal of this project is to determine how an AWIN display at various positions within the cockpit affects pilot performance and workload. The project is being conducted in Languages Cessna 206H research aircraft. During the past year the design of the experiment was finalized and approved. Despite facing several delays the data collection was completed in early February. Alter the completion of the data collection an extensive data entry task began. This required recording air speed, altitude, course heading, bank angle, and vertical speed information from videos of the primary flight displays. This data was then used to determine root mean square error (RMSE) for each experimental condition. In addition to the performance data (RMSE) taken from flight path deviation, the study also collected data on pilot;s accuracy in reporting weather information, and a subjective rating of workload from the pilot. The data for this experiment is currently being analyzed. Overall the current experiment should help to determine potential costs and benefits associated with AWIN displays. The data will be used to determine if a private pilot can safely fly a general aviation aircraft while operating a weather display. Clearly a display that adds to the pilot#s already heavy workload represents a potential problem. The study will compare the use of an AWIN display to conventional means of acquiring weather data. The placement of the display within the cockpit (i.e., either on the yoke, kneeboard, or panel) will be also compared in terms of workload, performance, and pilot preference.

Scerbo, Mark↗

Backstop: Shuttle Will Fly with Outstanding Waivers; New Oversight Eases Conflicts on Safety

he space shuttle Discovery is carrying some 300 waivers to technical specifications as it enters the home stretch of its planned return to flight next month. There were about 6,000 waivers in place when Columbia crashed. Shuttle managers say they are working to reduce the number of waivers remaining by fixing the problems they highlight, a change prompted by the Columbia Accident Investigation Board. In the wake of the accident, NASA has heeded the CAWS recommendation that waivers be the responsibility of an "independent technical authority" (ITA), rather than the shuttle program itself. To carry out the recommendation of the CAIB-which found an inherent conflict of interest in having the same managers make decisions about cost, schedule and safety-then-Administrator Sean O'Keefe designated the agency's chief engineer as the formal ITA. He is responsible for setting, maintaining and granting waivers across the agency. In mid-January, Fred Gregory, then O'Keefe's deputy and now his acting replacement, launched the ITA within NASA under Chief Engineer Rex Geveden, the former program manager on the Gravity Probe B experiment.

Morring, Frank, Jr.↗

Correction to "Influence of Dust and Black Carbon on the Snow Albedo in the NASA Goddard Earth Observing System Version 5 Land Surface Model"

The website information describing the forcing meteorological data used for the land surface model (LSM) simulation, which were observed at an Automated Meteorological Station CAWS) at the Sapporo District Meteorological Observatory maintained by the Japan Meteorological Agency (JMA), was missing from the text. The 1-hourly data were obtained from the website of Kisyoutoukeijouhou (Information for available JMA-observed meteorological data in the past) on the website of JMA (in Japanese) (available at: http://www.jma.go.jpijmaimenulreport.html). The measurement height information of 59.5 m for the anemometer at the Sapporo Observatory was also obtained from the website of JMA (in Japanese) (available at: http://www.jma.go.jp/jma/menu/report.html). In addition, the converted 10-m wind speed, based on the AWS/JMA data, was further converted to a 2-m wind speed prior to its use with the land model as a usual treatment of off-line Catchment simulation. Please ignore the ice absorption data on the website mentioned in paragraph [15] which was not used for our calculations (but the data on the website was mostly the same as the estimated ice absorption coefficients by the following method because they partially used the same data by Warren [1984]). We calculated the ice absorption coefficients with the method mentioned in the same paragraph, for which some of the refractive index data by Warren [1984] were used and then interpolated between wavelengths, and also mentioned in paragraph [20] for the visible (VIS) and near-infrared (NIR) ranges. The optical data we used were interpolated between wavelengths as necessary.

Yasunari, Teppei J.↗

Abiogenic synthesis on mars.

Atmospheres capable of producing organic compounds discussed, studying abiogenic synthesis in Mars simulator

ABIOGENESIS↗

Design and physical characteristics of the Transonic Aircraft Technology (TACT) research aircraft

The Transonic Aircraft Technology (TACT) research program provided data necessary to verify aerodynamic concepts, such as the supercritical wing, and to gain the confidence required for the application of such technology to advanced high performance aircraft. An F-111A aircraft was employed as the flight test bed to provide full scale data. The data were correlated extensively with predictions based on data obtained from wind tunnel tests. An assessment of the improvement afforded at transonic speeds in drag divergence, maneuvering performance, and airplane handling qualities by the use of the supercritical wing was included in the program. Transonic flight and wind tunnel testing techniques were investigated, and specific research technologies evaluated were also summarized.

Painter, W. D.↗