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At least 505 records · Page 28

Fierro

FIERRO is a parallel C++ code designed to simulate fluid mechanics, heat transfer, and solid mechanics in two- and three dimensional space. FIERRO is written to run on homogeneous (CPU) and heterogeneous (CPU+GPU) high performance computing machines. Fierro can aid a) modeling and design efforts that have historically relied on commercial implicit and explicit finite element codes, b) numerical methods research, c) manufacturing research, and d) computer science research. The code contains diverse numerical methods to solve the governing physics equations for both quasi-static and dynamic problems. Mathematical optimization solvers are coupled to the numerical methods to research topology and shape optimization that has application to additive manufacturing, and to create novel numerical approaches. Phase-field methods with micromechanical solvers are provided to simulate microstructure formation and evolution in manufacturing processes. The micromechanical solvers can also help research efforts create continuum-scale constitutive models for solids, as a function of the microstructure, in situ in a calculation or in a stand-alone manner. No physical data exists within the code.

Morgan, Nathaniel↗

Biogeochemical cycling in the ocean. Part 1: Introduction to the effects of upwelling along the west coast of North America

Coastal upwelling is examined as it relates to the cycling of chemical species in coastal waters along the west coast of North America. The temporal and spatial features of upwelling phenomena in the Eastern boundary regions of the North Pacific Ocean are presented and discussed in terms of upwelling episodes. Climate conditions affecting upwelling include: thermal effects, wind-induced shear stress which moves surface layers, and the curl of the wind stress vector which is thought to affect the extent and nature of upwelling and the formation of offshore convergent downwelling fronts. These effects and the interaction of sunlight and upwelled nutrients which result in a biological bloom in surface waters is modeled analytically. The roles of biological and chemical species, including the effects of predation, are discussed in that context, and relevant remote sensing and in situ observations are presented. Climatological, oceanographic, biological, physical, chemical events, and processes that pertain to biogeochemical cycling are presented and described by a set of partial differential equations. Simple preliminary results are obtained and are compared with data. Thus a fairly general framework has been laid where the many facets of biogeochemical cycling in coastal upwelled waters can be examined in their relationship to one another, and to the whole, to whatever level of detail or approximation is warranted or desired.

Howe, John T.↗

An Operational Product for Peatland Applications: The Version 7 of the SMAP Level-4 Soil Moisture Data Assimilation Product

The NASA Soil Moisture Active Passive (SMAP) mission Level-4 Soil Moisture (L4_SM) product provides global, 9-km resolution, 3-hourly surface (0-5 cm) and root-zone (0-100 cm) soil moisture estimates from April 2015 to present with a mean latency of 2.5 days from the time of observation. The L4_SM estimates are derived from the assimilation of SMAP L-band (1.4 GHz) brightness temperature (Tb) observations into the NASA Catchment Land Surface Model (CLSM). The recently released Version 7 of the L4_SM product comprises a key advancement that is of interest for peatland applications. CLSM now includes the recently developed PEATCLSM hydrology module for peatlands and uses an updated global peatland distribution. In this presentation, we first give an overview of the operational product for the peatland community. We further show how the incorporation of PEATCLSM considerably improves the dynamics of water table depth, surface soil moisture and evapotranspiration in L4_SM Version 7 over Version 6 when evaluated against in situ measurements in peatlands. These improvements are also manifested in smaller Tb observation-minus-forecast residuals. Eventually, we provide three research examples in which the data assimilation product is used to gain insights into: peatland hydrological processes, the peat moisture dependency of the carbon cycle, and wildfire occurrence in peatlands.

Michel Bechtold↗

An Integrated Deposition and Passivation Strategy for Controlled Crystallization of 2D/3D Halide Perovskite Films

Abstract This work introduces a simplified deposition procedure for multidimensional (2D/3D) perovskite thin films, integrating a phenethylammonium chloride (PEACl)‐treatment into the antisolvent step when forming the 3D perovskite. This simultaneous deposition and passivation strategy reduces the number of synthesis steps while simultaneously stabilizing the halide perovskite film and improving the photovoltaic performance of resulting solar cell devices to 20.8%. Using a combination of multimodal in situ and additional ex situ characterizations, it is demonstrated that the introduction of PEACl during the perovskite film formation slows down the crystal growth process, which leads to a larger average grain size and narrower grain size distribution, thus reducing carrier recombination at grain boundaries and improving the device's performance and stability. The data suggests that during annealing of the wet film, the PEACl diffuses to the surface of the film, forming hydrophobic (quasi‐)2D structures that protect the bulk of the perovskite film from humidity‐induced degradation.

2D/3D perovskites↗

Evolution of standardization and dissemination of cryo-EM structures and data jointly by the community, PDB, and EMDB

Cryogenic electron microscopy (cryo-EM) methods began to be used in the mid-1970s to study thin and periodic arrays of proteins. Following a half-century of development in cryo-specimen preparation, instrumentation, data collection, data processing and modeling software, cryo-EM has become a routine method for solving structures from large biological assemblies to small biomolecules at near to true atomic resolution. This review explores the critical roles played by the Protein Data Bank (PDB) and Electron Microscopy Data Bank (EMDB) in partnership with the community to develop the necessary infrastructure to archive cryo-EM maps and associated models. Public access to cryo-EM structure data has in turn facilitated better understanding of structure-function relationships and advancement of image processing and modeling tool development. The partnership between the global cryo-EM community and PDB and EMDB leadership has synergistically shaped the standards for metadata, one-stop deposition of maps and models, and validation metrics to assess the quality of cryo-EM structures. The advent of cryo-electron tomography (cryo-ET) for in situ molecular cell structures at a broad resolution range and their correlations with other imaging data introduces new data archival challenges in terms of data size and complexity in the years to come.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

PolarMERRA: A Polar-Focused Global Reanalysis Project for Scientific and Stakeholder Needs

The adequate modeling of physical processes in the Arctic and Antarctic is vital for developing prediction capabilities and for obtaining an understanding of rapidly evolving polar conditions, including their potential global impacts. These processes are often poorly represented in global models and reanalyses, owing to a legacy modeling focus on midlatitude processes, as well as a scarcity of observations needed for model development in polar regions. The polarMERRA initiative, a joint effort between NASA’s Cryospheric Sciences and Modeling and Prediction programs, seeks to improve the representation of cryospheric and polar atmospheric processes and to develop an open-source framework for a quantitively evaluation of polar-relevant variables against current and future satellite and in-situ observations, models, and reanalyses. Here, we evaluate the impacts of spatial resolution and modifications to sea ice, ice sheet, and atmospheric parameterizations on the representation of high latitude conditions by using a quantitative scorecard approach that leverages NASA’s extensive satellite record. Investigations are conducted using the NASA Goddard Earth Observing System model (GEOS) and its data assimilation system (GEOS DAS). Through a quantitative identification of process deficiencies, bias reductions in key surface variables, including temperature and precipitation over cryospheric surfaces, may be achieved. The polarMERRA project additionally seeks to identify additional data sources for use in the GEOS DAS, and to incorporate data and parameterization improvements into future model and reanalysis products for scientific and stakeholder use.

Lauren C Andrews↗

In-situ qualification and physics-based process design for aerosol jet printing via spatially correlated light scattering measurements

Aerosol jet printing is a contactless, digital, and additive technique broadly used for manufacturing flexible, hybrid, and conformal electronics. However, batch-to-batch variability has hindered widespread industry adoption and scaling to production volumes. Recently, light scattering measurements have emerged as a tool to measure aerosol volume fraction – a key parameter determining deposition rate – and have proven an effective feedback source for closed loop control on timescales ranging from minutes to hours. Here, the efficacy of light scattering measurements as a tool for in-situ qualification over shorter time durations is explored. To be the linear relationship between light scattering measurements and deposition rate was validated at 500 ms time intervals, allowing deposition rate to be mapped to positional coordinates and providing a new data stream to drive quality control assessments. Because light scattering measurements are indicative of a physical process parameter, they were substituted into equations for resistance and sheet resistance, resulting in predictions nominally within 10% of measured values for sets of printed devices. Finally, to highlight a more active utility, light scattering measurements were employed in a print repair framework, successfully repairing prints with randomly induced defects to within 5% of the measured resistance of a control set.

36 MATERIALS SCIENCE↗

Hydration of a Side-Chain-Free n-Type Semiconducting Ladder Polymer Driven by Electrochemical Doping

Here, we study the organic electrochemical transistors (OECTs) performance of the ladder polymer, poly(benzimidazobenzophenanthroline) (BBL) in an attempt to better understand how an apparently hydrophobic side-chain-free polymer is able to operate as an OECT with favorable redox kinetics in an aqueous environment. We examine two BBLs of different molecular masses from different sources. Both BBLs show significant film swelling during the initial reduction step. By combining electrochemical quartz crystal microbalance (eQCM) gravimetry, in-operando atomic force microscopy (AFM), and both ex-situ and in-operando grazing incidence wide-angle x-ray scattering (GIWAXS), we provide a detailed structural picture of the electrochemical charge injection process in BBL in the absence of any hydrophilic side-chains. Compared with ex-situ measurements, inoperando GIWAXS shows both more swelling upon electrochemical doping than has previously been recognized, and less contraction upon dedoping. The data show that BBL films undergo an irreversible hydration driven by the initial electrochemical doping cycle with significant water retention and lamellar expansion that persists across subsequent oxidation/reduction cycles. This swelling creates a hydrophilic environment that facilitates the subsequent fast hydrated ion transport in the absence of the hydrophilic side-chains used in many other polymer systems. Due to its rigid ladder backbone and absence of hydrophilic side-chains, the primary BBL water uptake does not significantly degrade the crystalline order, and the original dehydrated, unswelled state can be recovered after drying. The combination of doping induced hydrophilicity and robust crystalline order leads to efficient ionic transport and good stability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Inner Shell Spectroscopy beamline at NSLS-II: a facility for in situ and operando X-ray absorption spectroscopy for materials research

The Inner Shell Spectroscopy (ISS) beamline on the 8-ID station at the National Synchrotron Light Source II (NSLS-II), Upton, NY, USA, is a high-throughput X-ray absorption spectroscopy beamline designed for in situ, operando, and time-resolved material characterization using high monochromatic flux and scanning speed. This contribution discusses the technical specifications of the beamline in terms of optics, heat load management, monochromator motion control, and data acquisition and processing. Results of the beamline tests demonstrating the quality of the data obtainable on the instrument, possible energy scanning speeds, as well as long-term beamline stability are shown. The ability to directly control the monochromator trajectory to define the acquisition time for each spectral region is highlighted. Examples of studies performed on the beamline are presented. The paper is concluded with a brief outlook for future developments.

36 MATERIALS SCIENCE↗

Investigation of Pearl River data collection system

The reliability of employing NASA developed remote sensing for in situ near real time monitoring of water quality in the Pearl River is evaluated. The placement, operation and maintenance of a number of NASA developed data collection platforms (DCP's) on the Pearl River are described. The reception, processing, and retransmission of water quality data from an ERTS satellite to the Mississippi Air and Water Pollution Control Commission (MAWPCC) via computer linkup are assessed.

Source record↗

Evaluating Summer-Time Ozone Enhancement Events in the Southeast United States

This study evaluates source attribution of ozone (O3) in the southeast US within O3 lamina observed by the University of Alabama in Huntsville (UAH) Tropospheric Ozone Lidar Network (TOLNet) system during June 2013. This research applies surface-level and airborne in situ data and chemical transport model, GEOS-Chem, simulations in order to quantify the impact of North American anthropogenic emissions, wildfires, lightning NOx, and background stratospheric transport on the observed O3 lamina. During the summer of 2013, two anomalous O3 layers were observed and evaluated: 1) a nocturnal near-surface enhancement and 2) a late evening elevated (3-6 km above ground level) O3 plume. A "brute force" zeroing method was applied in GEOS-Chem to quantify the impact of individual emission sources and transport pathways on the vertical distribution of O3 during the two observed lamina. These model simulations suggest that the nocturnal O3 enhancement on June 12, 2013 below 3 km was primarily due to wildfire emissions and the fact that daily maximum anthropogenic emission contributions occurred during these night-time hours. During the second case study it was predicted that above average contributions from background stratospheric transport was largely contributing to the O3 lamina observed on June 29, 2013 between 3-6 km. Further evaluation suggested that a stratospheric intrusion was likely the main source contributing to this O3 enhancement between 3-6 km. Supporting information from other models, remote-sensing observations, and ground-based airborne in situ data agree with the source attribution predicted by GEOS-Chem simulations for both case studies. Overall, this study demonstrates the dynamic atmospheric chemistry occurring in the southeast US and displays the various emission sources and transport processes impacting O3 enhancements at different vertical levels of the troposphere.

Laminates↗

Distributed Coaxial Cable Sensors for In-Situ Condition Based Monitoring of Coal-Fired Boiler Tubes

The increasing contributions of renewable energy sources present new challenges to the operation and maintenance of the existing coal-fired power plants. One of the major operational risks is the unexpected failure of superheater boiler tubes, leading to the most unplanned power plant outrages. The boiler tube failure is difficult to predict due to the harsh operating environments. Therefore, condition-based monitoring (CBM) with a reliable high temperature sensor becomes necessary to produce a meaningful assessment of the health condition of boiler tubes and their remaining lifetime. In this work, the stainless-steel and quartz coaxial cable sensor (SSQ-CCS) is proposed for in-situ distributed monitoring of the boiler tube temperatures in existing coal-fired power plants. Comprehensive tests have been conducted with an in-house testing facility at Clemson University to study and evaluate the sensors’ performance in the temperature range of 100℃ to 600℃. The results indicated that the measurement resolution of the SSQ-CCS sensor is better than 1℃, and the drift is less than 2% over long-period testing. Meanwhile, multi-physics finite element analysis has been conducted to optimize the design and evaluate the safety of the SSQ-CCS temperature sensor under various operational conditions. Based on the performance obtained in the laboratory-scale testing, a field test has been implemented at a power plant. Four SSQ-CCS temperature sensors were installed for in-situ monitoring of the temperatures of a power plant’s superheat tube assembles. The data acquisition system has been successfully set up and collected sensing signals for more than three months. The sensing signals have been post-processed, and the monitored temperature history through the SSQ-CCS temperature sensor has been validated and compared with the conventional high temperature thermal couple data.

Jiao, Xinyu↗

High concentrations of ice: Investigations using polarimetric radar observations combined with in situ measurements and cloud modeling (Final Report)

This DOE-funded joint project had the over-arching goal of understanding the reasons for observed size distributions of ice particles in cold clouds. Its approach involves the use of cloud models and field observations by radar and aircraft of real storms. The project addresses three major research objectives: (1) Utilize a novel polarimetric radar technique to retrieve size distributions and amounts of ice from radar data collected during the previous DOE ARM field campaigns; (2) Evaluate the results of ice microphysical retrievals using available in situ aircraft measurements and other remote sensors (e.g., vertically pointing cloud radars and wind profilers); (3) Improve the treatment of microphysical processes leading to cloud glaciation and ice multiplication in numerical cloud models. The study was performed by three research organizations: University of Oklahoma, The Hebrew University of Jerusalem, Israel, and Lund University, Sweden. The Israel and Swedish partners were funded by the sub-awards from the University of Oklahoma. Cloud modeling studies have been performed by the research teams at The Hebrew University of Jerusalem (HUJ) and Lund University to identify the origins of high concentrations of cloud ice in areas of high ice water content (HIWC). The Hebrew University Cloud Model (HUCM) with full spectral bin microphysics and the Lund University aerosol-cloud (AC) model with a hybrid bin / bulk microphysics scheme complementing HUCM were utilized for simulations. Both research teams had particular focus on secondary ice production (SIP) as one of the possible sources of enhanced ice concentration. The HUJ group suggested a novel concept of ice multiplication during droplet freezing. It is assumed that splintering and droplet fragmentation during droplet freezing takes place because of dendritic growth within a supercooled drop. The resulting simulations of SIP generated small ice in concentrations exceeding hundreds per liter similar to what was observed in the HIWC regions of the tropical storms. The Lund team explored the SIP mechanisms such as breakup of ice particles due to ice-ice collisions and ice sublimation that are expected to dominate the continental storms. They also quantified the impact of homogeneous nucleation of cloud droplets on the total number concentration of ice at very low temperatures near the tops of the clouds. Additionally, the Lund AC model is able to simulate the effect of aerosols of various types (including biological) on the cloud life cycle and the corresponding ice production. The HUCM / AC model was used to simulate one of the “golden” cases of the DOE MC3E campaign on 20 May 2011. The model output was converted into the fields of polarimetric radar variables using the polarimetric radar forward operator developed at the University of Oklahoma and compared with radar observations and in situ microphysical measurements onboard research aircraft. It was demonstrated that specific differential phase KDP is the best radar parameter to identify the HIWC areas and quantify the corresponding ice parameters. For the first time, the shape of the vertical profile of KDP was realistically reproduced by the cloud model with the KDP maximum in the dendritic growth layer (DGL) centered at the -15°C isotherm. The University of Oklahoma team has developed a methodology for polarimetric radar retrievals of such microphysical parameters of ice as ice water content (IWC), mean volume diameter (Dm), and total number concentration (Nt) of ice particles. These retrievals have been validated using in situ aircraft measurements during 6 field campaigns and proved to be quite robust and reliable. This allowed to build the first climatology of the vertical profiles of polarimetric radar variables and retrieved microphysical parameters for the three types of weather systems: continental MCSs, maritime MCSs, and tropical cyclones / hurricanes (Hu and Ryzhkov 2022). The data were collected by a multitude of the WSR-88D radars in 13 continental and 10 maritime MCSs and 11 landfalling hurricanes. The HIWC areas were identified within the examined storms and the corresponding “HIWC statistics” was compared with the “background” one without HIWC. An overarching conclusion of the study is that maritime tropical storms (MCSs and hurricanes) are characterized by smaller size ice in higher concentration compared to the continental MCSs. High ice water content in the HIWC areas is primarily caused by a strong jump in a number concentration of ice particles rather than the increase of their size compared to the “background” environment. This may point to the homogeneous nucleation of excessive amounts of supercooled droplets and / or secondary ice production as the possible origins of HIWC. Such a climatology provides a good observational reference for the modelers to evaluate the performance of their models. As an example, the in-depth analysis of the 20 May 2011 MC3E case shows that the advanced cloud models developed in the course of this study still tend to underestimate the number concentration of ice in the HIWC areas although they succeed in reproducing realistically looking vertical profiles of IWC and Nt. The results of the project research are summarized in 13 journal papers.

54 ENVIRONMENTAL SCIENCES↗

A Coupled Ocean General Circulation, Biogeochemical, and Radiative Model of the Global Oceans: Seasonal Distributions of Ocean Chlorophyll and Nutrients

A coupled ocean general circulation, biogeochemical, and radiative model was constructed to evaluate and understand the nature of seasonal variability of chlorophyll and nutrients in the global oceans. Biogeochemical processes in the model are determined from the influences of circulation and turbulence dynamics, irradiance availability. and the interactions among three functional phytoplankton groups (diatoms. chlorophytes, and picoplankton) and three nutrients (nitrate, ammonium, and silicate). Basin scale (greater than 1000 km) model chlorophyll results are in overall agreement with CZCS pigments in many global regions. Seasonal variability observed in the CZCS is also represented in the model. Synoptic scale (100-1000 km) comparisons of imagery are generally in conformance although occasional departures are apparent. Model nitrate distributions agree with in situ data, including seasonal dynamics, except for the equatorial Atlantic. The overall agreement of the model with satellite and in situ data sources indicates that the model dynamics offer a reasonably realistic simulation of phytoplankton and nutrient dynamics on synoptic scales. This is especially true given that initial conditions are homogenous chlorophyll fields. The success of the model in producing a reasonable representation of chlorophyll and nutrient distributions and seasonal variability in the global oceans is attributed to the application of a generalized, processes-driven approach as opposed to regional parameterization and the existence of multiple phytoplankton groups with different physiological and physical properties. These factors enable the model to simultaneously represent many aspects of the great diversity of physical, biological, chemical, and radiative environments encountered in the global oceans.

Gregg, Watson W.↗

Conserving Land–Atmosphere Synthesis Suite (CLASS)

Accurate estimates of terrestrial water and energy cycle components are needed to better understand climate processes and improve models’ ability to simulate future change. Various observational estimates are available for the individual budget terms; however, these typically show inconsistencies when combined in a budget. In this work, a Conserving Land–Atmosphere Synthesis Suite (CLASS) of estimates of simultaneously balanced surface water and energy budget components is developed. Individual CLASS variable datasets, where possible, 1) combine a range of existing variable product estimates, and hence overcome the limitations of estimates from a single source; 2) are observationally constrained with in situ measurements; 3) have uncertainty estimates that are consistent with their agreement with in situ observations; and 4) are consistent with each other by being able to solve the water and energy budgets simultaneously. First, available datasets of a budget variable are merged by implementing a weighting method that accounts both for the ability of datasets to match in situ measurements and the error covariance between datasets. Then, the budget terms are adjusted by applying an objective variational data assimilation technique (DAT) that enforces the simultaneous closure of the surface water and energy budgets linked through the equivalence of evapotranspiration and latent heat. Comparing component estimates before and after applying the DAT against in situ measurements of energy fluxes and streamflow showed that modified estimates agree better with in situ observations across various metrics, but also revealed some inconsistencies between water budget terms in June over the higher latitudes.

54 ENVIRONMENTAL SCIENCES↗

The New NASA Orbital Debris Engineering Model ORDEM2000

The NASA Orbital Debris Program Office at Johnson Space Center has developed a new computer-based orbital debris engineering model, ORDEM2000, which describes the orbital debris environment in the low Earth orbit region between 200 and 2000 km altitude. The model is appropriate for those engineering solutions requiring knowledge and estimates of the orbital debris environment (debris spatial density, flux, etc.). ORDEM2000 can also be used as a benchmark for ground-based debris measurements and observations. We incorporated a large set of observational data, covering the object size range from 10 mm to 10 m, into the ORDEM2000 debris database, utilizing a maximum likelihood estimator to convert observations into debris population probability distribution functions. These functions then form the basis of debris populations. We developed a finite element model to process the debris populations to form the debris environment. A more capable input and output structure and a user-friendly graphical user interface are also implemented in the model. ORDEM2000 has been subjected to a significant verification and validation effort. This document describes ORDEM2000, which supersedes the previous model, ORDEM96. The availability of new sensor and in situ data, as well as new analytical techniques, has enabled the construction of this new model. Section 1 describes the general requirements and scope of an engineering model. Data analyses and the theoretical formulation of the model are described in Sections 2 and 3. Section 4 describes the verification and validation effort and the sensitivity and uncertainty analyses. Finally, Section 5 describes the graphical user interface, software installation, and test cases for the user.

Liou, Jer-Chyi↗

Quality and Consistency of the NASA Ocean Color Data Record

The NASA Ocean Biology Processing Group (OBPG) recently reprocessed the multimission ocean color time-series from SeaWiFS, MODIS-Aqua, and MODIS-Terra using common algorithms and improved instrument calibration knowledge. Here we present an analysis of the quality and consistency of the resulting ocean color retrievals, including spectral water-leaving reflectance, chlorophyll a concentration, and diffuse attenuation. Statistical analysis of satellite retrievals relative to in situ measurements will be presented for each sensor, as well as an assessment of consistency in the global time-series for the overlapping periods of the missions. Results will show that the satellite retrievals are in good agreement with in situ measurements, and that the sensor ocean color data records are highly consistent over the common mission lifespan for the global deep oceans, but with degraded agreement in higher productivity, higher complexity coastal regions.

Franz, Bryan A.↗

Effect of threshold parameters on infrared segmentation methods for porosity detection in electron beam powder bed fusion

In-situ process monitoring has seen significant interest in additive manufacturing to address qualification and certification goals. This is especially prevalent in metal powder bed fusion processes such as electron beam powder bed fusion (PBF-EB), with layer-wise infrared imaging being commonly used to detect defects. Here, this work compares two different segmentation methods (static thresholding and statistical thresholding) used for detecting porosity from in-situ infrared imaging data for PBF-EB. Samples were manufactured at a variety of focus offset values to induce porosity. Then, the segmented infrared images were compared to ex-situ X-ray computed tomography scans, which served as a ground-truth reference for objective evaluation. Through this analysis framework, the influential parameters, static threshold and N-value (number of standard deviations above the mean pixel value), respectively, for both image segmentation methods were analyzed and compared for their effects on porosity detection. With optimal parameter settings, the two methods had similar porosity detection performance, but the statistical method performed better under a larger variety of parameter settings.

Infrared imaging↗