Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “common information model”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,027 records · Page 57

Long-run Marginal Emission Rates for Electricity - Workbooks for 2022 Cambium Data

These workbooks contain modeled estimates of long-run marginal emission rates (LRMER) for the contiguous United States. A LRMER is an estimate of the rate of emissions that would be either induced or avoided by a change in electric demand, taking into account how the change could influence both the operation as well as the structure of the grid (i.e., the building and retiring of capital assets, such as generators and transmission lines). It is therefore distinct from the more-commonly-known short-run marginal, which treat grid assets as fixed. Long-run marginal emissions rates are generally appropriate to use when trying to comprehensively estimate the impact of a long-lived (i.e., more than several years) intervention. There are two workbooks that supply the data at two different geographic resolutions: states and GEA regions (20 regions that are similar to, but not exactly the same as, the US EPA's eGRID regions). For more data underlying these emissions factors, see the Cambium 2022 project at https://scenarioviewer.nrel.gov/. For more details on input assumptions and methodology see the associated report (Cambium 2022 Scenario Descriptions and Documentation, https://www.nrel.gov/docs/fy23osti/84916.pdf). This data is planned to be updated annually. Information on the latest versions can be found at https://www.nrel.gov/analysis/cambium.html.

01 COAL, LIGNITE, AND PEAT↗

Aeroelasticity Benchmark Assessment: Subsonic Fixed Wing Program

The fundamental technical challenge in computational aeroelasticity is the accurate prediction of unsteady aerodynamic phenomena and the effect on the aeroelastic response of a vehicle. Currently, a benchmarking standard for use in validating the accuracy of computational aeroelasticity codes does not exist. Many aeroelastic data sets have been obtained in wind-tunnel and flight testing throughout the world; however, none have been globally presented or accepted as an ideal data set. There are numerous reasons for this. One reason is that often, such aeroelastic data sets focus on the aeroelastic phenomena alone (flutter, for example) and do not contain associated information such as unsteady pressures and time-correlated structural dynamic deflections. Other available data sets focus solely on the unsteady pressures and do not address the aeroelastic phenomena. Other discrepancies can include omission of relevant data, such as flutter frequency and / or the acquisition of only qualitative deflection data. In addition to these content deficiencies, all of the available data sets present both experimental and computational technical challenges. Experimental issues include facility influences, nonlinearities beyond those being modeled, and data processing. From the computational perspective, technical challenges include modeling geometric complexities, coupling between the flow and the structure, grid issues, and boundary conditions. The Aeroelasticity Benchmark Assessment task seeks to examine the existing potential experimental data sets and ultimately choose the one that is viewed as the most suitable for computational benchmarking. An initial computational evaluation of that configuration will then be performed using the Langley-developed computational fluid dynamics (CFD) software FUN3D1 as part of its code validation process. In addition to the benchmarking activity, this task also includes an examination of future research directions. Researchers within the Aeroelasticity Branch will examine other experimental efforts within the Subsonic Fixed Wing (SFW) program (such as testing of the NASA Common Research Model (CRM)) and other NASA programs and assess aeroelasticity issues and research topics.

Florance, Jennifer P.↗

A Possible Explanation for the Z-R Parameter Inconsistency when Comparing Stratiform and Convective Rainfall

The well-known Z-R power law Z A R(sup b) uses two parameters, A and b, in order to relate rainfall rate R to measured weather radar reflectivity Z. A common method used by researchers is to compute Z and R from disdrometer data and then extract the A-b parameter pair from a log-linear line fit to a scatter plot of Z-R pairs. Even though it may seem far more truthful to extract the parameter pair from a fit of radar Z(sub R) versus gauge rainfall rate R(sub G), the extreme difference in spatial and temporal sampling volumes between radar and rain gauge creates a slew of problems that can generally only be solved by using rain gauge arrays and long sampling averages. Disdrometer derived A-b parameters are easily obtained and can provide information for the study of stratiform versus convective rainfall. However, an inconsistency appears when comparing averaged A-b pairs from various researchers. Values of b range from 1.26 to 1.51 for both stratiform and convective events. Paradoxically the values of A fall into three groups: 150 to 200 for convective; 200 to 400 for stratiform; and 400 to 500 again for convective. This apparent inconsistency can be explained by computing the A-b pair using the gamma DSD coupled with a modified drop terminal velocity model, v(D) alpha D(sup beta) - w, where w is a somewhat artificial constant vertical velocity of the air above the disdrometer. This model predicts three regions of A, corresponding to w less than 0, w = 0, and w greater than 0, which approximately matches observed data.

gamma DSD↗

Hydrodynamic Test Requirements Process Improvements

Hydrodynamic testing at Los Alamos National Laboratory would benefit from a process improvement for the requirements process. Cameo was used as a digital solution for requirements management to allow Lead Engineers to track requirements more effectively. This was identified as a process improvement throughout this Capstone project. This report includes a project proposal, business case, literature review, methodology, project plan, data analysis, decision-making report, financial analysis report, discussion, and conclusion. Initially, this project focused on figuring out a solution for the hydrotest requirement process improvements. The scope narrowed to focus on the use of Cameo for requirement capture and management. During this Capstone, four tests had digital models produced for requirements management in Cameo. The initial model was the baseline, with core requirements used across the tests. Commonalities in tests were used and the core requirements allowed for process efficiencies. In the data analysis, it was seen that overall, the implementation of using Cameo for requirements resulted in a decreasing trend for both schedule and normalized cost. Tests have different complexity levels which is also a factor in how long the requirements process will take. Additional data is needed to continue analyzing process improvements. Through decisionmaking and financial analysis, the recommendation was to use Cameo for requirements process improvement. Multiple experts provided feedback for requirements that were then captured within models. Numerous tangible and intangible benefits were identified with this process improvement. For return on investment, the metric of success was schedule reduction, which was overall seen. Four tests were analyzed, so future analysis will be needed. There is also not a great financial risk because the main cost would be purchasing more licenses. Individuals must generate requirements whether using this software or not. Overall, training is needed to help improve the skillsets of Lead Engineers but is already being supported on a regular frequency. A desktop guide was started associated with explaining the process, however, it is a work in progress. The team plans on adding additional information in the digital models to help status when requirements are met using verification methods and artifacts. From working on this project an improved understanding of Cameo and requirements was the result. There are future opportunities to extend the usage for requirements management and progress will continue after this project.

99 GENERAL AND MISCELLANEOUS↗

Promoting Lifelong Ocean Education: Shaping Tomorrow's Earth Stewards and the Science and Technology Workforce

The coming ocean observing systems provide an unprecedented opportunity to change both the public perception of our oceans, and to inspire, captivate and motivate our children, our young adults and even our fellow adults to pursue careers allied with the oceans and to become stewards of our Planet's last unexplored environment. Education plans for the operational component, the Integrated Ocean Observing System (IOOS), and for the research component, Ocean Research Interactive Observatory Networks (ORION), are designed to take advantage of this opportunity. In both cases, community recommendations were developed within the context of the following assumptions: 1. Utilize research on how people learn, especially the four-pronged model of simultaneous learner-centered, knowledge-center, assessment-centered and community-centered learning 2. Strive for maximum impact on national needs in science and technology learning 3. Build on the best of what is already in place 4. Pay special attention to quality, sustainability, and scalability of efforts 5. Use partnerships across federal, state and local government, academia, and industry. Community recommendations for 100s and ORION education have much in common and offer the opportunity to create a coherent education effort allied with ocean observing systems. Both efforts focus on developing the science and technology workforce of the future, and the science and technology literacy of the public within the context of the Earth system and the role of the oceans and Great Lakes in that system. Both also recognize that an organized education infrastructure that supports sustainability and scalability of education efforts is required if ocean observing education efforts are to achieve a small but measurable improvement in either of these areas. Efforts have begun to develop the education infrastructure by beginning to form a community of educators from existing ocean and aquatic education networks and by exploring needs and issues associated with using ocean observing information assets in education. Likewise efforts are underway to address workforce issues by a systematic analysis of current and future workforce and educational needs. These activities will be described as will upcoming opportunities for the community to participate in these efforts.

Meeson, Blanche↗

Does the leaf economic spectrum hold within plant functional types? A Bayesian multivariate trait meta-analysis

The leaf economic spectrum is a widely-studied axis of plant trait variability that defines a trade-off between leaf longevity and productivity. While this has been investigated at the global scale, where it is robust, and at local scales, where deviations from it are common, it has received less attention at the intermediate scale of PFTs. We investigated whether global leaf economic relationships are also present within the scale of plant functional types (PFTs) commonly used by Earth System models, and the extent to which this global-PFT hierarchy can be used to constrain trait estimates. We developed a hierarchical multivariate Bayesian model that assumes separate means and covariance structures within and across PFTs and fit this model to seven leaf traits from the TRY database related to leaf longevity, morphology, biochemistry, and photosynthetic metabolism. Although patterns of trait covariation were generally consistent with the leaf economic spectrum, we found three approximate tiers to this consistency. Relationships among morphological and biochemical traits (SLA, N, P) were the most robust within and across PFTs, suggesting that covariation in these traits is driven by universal leaf construction trade-offs and stoichiometry. Relationships among metabolic traits (R_d, V_{c,max}, J_max) were slightly less consistent, reflecting in part their much sparser sampling (especially for high-latitude PFTs), but also pointing to more flexible plasticity in plant metabolistm. Finally, relationships involving leaf lifespan were the least consistent, indicating that leaf economic relationships related to leaf lifespan are dominated by across-PFT differences and that within-PFT variation in leaf lifespan is more complex and idiosyncratic. Across all traits, these covariance were an important source of information, as evidenced by the improved imputation accuracy and reduced predictive uncertainty in multivariate models compared to univariate models. Ultimately, our study reaffirms the value of studying not just individual traits but the multivariate trait space and the utility of hierarchical modeling for studying the scale dependence of trait relationships.

biodiversity, ecological modeling, ecology, leaf b↗

MACCS Theory Manual

This report describes the models of the MACCS computer code as presented in MACCS Version 3.10.0. The purpose of MACCS is to simulate the impact of severe accidents at nuclear power plants on the surrounding environment. MACCS has been developed by Sandia National Laboratories for the U.S. Nuclear Regulatory Commission. From a given release of radioactive material into the atmosphere, MACCS estimates the extent and magnitude of radiological contamination, offsite doses, protective actions, socioeconomic impacts and costs, and health effects. Since the weather at the time of an accident is not predictable, MACCS supports various sampling options to run a representative set of simulations to evaluate weather variability. MACCS simulates atmospheric transport with a straight-line Gaussian plume segment model. From the estimated air and ground concentrations, MACCS models dose projections through several dose exposure pathways. These exposures can be offset by protective actions during the emergency response and long-term recovery of the accident. MACCS users directly specify the evacuation and sheltering area, while other protective actions (e.g., relocation, farmland restrictions, decontamination) are based on user-specified dose or concentration limits. While protective actions help reduce dose accumulation, they also cause social and economic impacts. MACCS models the extent of displaced individuals and land contamination, and the cost of offsite property damage, economic disruptions, and various accident expenditures caused by protective actions. Finally, from the dose accumulation, MACCS estimates early and stochastic health effects according to dose-response models. The purpose of consequence analyses is to be able to understand and estimate the impact of nuclear accidents. Consequence analysis is an essential tool to inform determinations of adequate protection of the public, to understand nuclear power hazards, to measure the value of regulations, and to help us appreciate the importance of nuclear safety. As such, MACCS has a variety of regulatory uses including environmental analyses (10 CFR 51.53, 52.47), regulatory cost-benefit analyses, backfit analyses (10 CFR 50.109), consequence analysis studies such as SOARCA (NUREG-1935), Level 3 PRA studies, and risk-informing of emergency planning (10 CFR 50 App. E and 50.47). This report updates the previous MACCS theory manual (NUREG/CR-4691 Vol. 2; Chanin, Sprung, Ritchie, & Jow, 1990) and accompanies the MACCS User's Guide (SAND-2021-1588) that describes the use and input requirements of the graphical user interface of MACCS known as WinMACCS. The MACCS User's Guide is also a reference guide that describes data input file formats, describes various software components in the MACCS code suite, and provides a set of example tutorials for running WinMACCS. Also, soon to be published is a MACCS input parameter guidance report (NUREG/CR-7270) that provides technical bases for commonly used MACCS input values. This page left blank

97 MATHEMATICS AND COMPUTING↗

Optimization of WAAM Process to Produce AUSC Components with Increased Service Life

Additive manufacturing has the potential to revolutionize industrial hardware and unlock efficiency gains through the fabrication of geometries and architectures not possible by conventional processing. Wire Arc Additive manufacturing (WAAM) process is a class of directed energy deposition process enabling higher build rate and allowing custom wire feedstock allowing spatial variation of microstructure. The larger spot size and lower speed creates a larger melt pool, reducing residual stress and often time creating directional/columnar microstructure for Ni-superalloy. The use of flexible platform provides freedom in deposition strategy, which can accommodate complex substrates, including feature addition onto existing structures, non-flat layers, and repair methods. However, the certification of the final component needs to match the strength requirement. Hence, the quality of the component produced is stringently monitored to avoid buildup of residual stress, cracks, porosity and to reduce detrimental segregated phases commonly observed during alloy solidification. Simulation plays a huge role in predicting the melt pool dimension and can be used to optimize the process parameter. Similar development is also required to perform physics-based modeling of microstructural development in WAAM that can predict the microstructural features during solidification and can be used to optimize the process more effectively. To move toward this goal, Raytheon Technologies Research Center together with Siemens worked to create a set of computational tools to control the process parameters, enable on-line measurements and acquisition with feedback to the optimized process parameters, and eventually track material evolution through each step of the additive process. Computational fluid dynamics is used for accurate prediction and calibration of the thermal field during WAAM process. and phase field models for microstructure evolution as a function of processing parameters to establish a connection between additive parameters and the final microstructure. Here we report cellular automata (CA) model development to predict the dendritic microstructure evolution with surface and bulk nuclei for single track and multiple layers. The CA model was developed to account for secondary element addition and predict segregation, local melting, and latent heat release as well as prediction of Euler angles from orientation information and validated against experiments. This framework was utilized to tailor spatially-varying composition in a part by appropriately controlling the microstructure evolution during the additive process. Functionally graded Haynes 282 alloy with high Cr content at the surface was tested for oxidation and mechanical properties. An advanced physics-based reaction-diffusion model predicting the simultaneous creation of chromium oxide and alumina is developed and validated to extend life expectancy of the WAAM manufactured high temperature part. A machine-learning data-driven framework establishing the process-structure relationship from a dataset of real microstructure images and corresponding process history data has been developed and implemented in the NX Siemens design system. The digital twin configuration along with the tool path generation enabled prediction of WAAM component buildup time and the techno-economic analysis provided a favorable option for all 4 cases with 15-40% cost reduction.

33 ADVANCED PROPULSION SYSTEMS↗

Geographic patterns and determinants of antibiotic resistomes in coastal sediments across complex ecological gradients

Coastal areas are highly influenced by terrestrial runoffs and anthropogenic disturbances, commonly leading to ecological gradients from bay, nearshore, to offshore areas. Although the occurrence and distribution of sediment antibiotic resistome are explored in various coastal environments, little information is available regarding geographic patterns and determinants of coastal sediment antibiotic resistomes across ecological gradients at the regional scale. Here, using high-throughput quantitative PCR, we investigated the geographic patterns of 285 antibiotic resistance genes (ARGs) in coastal sediments across a ~ 200 km scale in the East China Sea. Sediment bacterial communities and physicochemical properties were characterized to identify the determinants of sediments antibiotic resistome. Higher richness and abundance of ARGs were detected in the bay samples compared with those in nearshore and offshore samples, and significant negative correlations between the richness and/or abundance of ARGs and the distance to coastline (DTC) were identified, whereas different types of ARGs showed inconsistency in their relationships with DTC. The composition of antibiotic resistome showed significant correlations with nutrition-related variables (including NH 4 + -N, NO 3 − -N, and total phosphorus) and metals/metalloid (including As, Cu, Ni, and Zn), suggesting that terrestrial disturbances largely shape the antibiotic resistome. The Bipartite network showed strong associations between ARGs and mobile genetic elements (MGEs), and Partial Least Squares Path Modeling further revealed that terrestrial disturbance strength (as indicated by DTC) directly affected abiotic environmental conditions and bacterial community composition, and indirectly affected antibiotic resistome via MGEs. These findings provide insights into regional variability of sediment antibiotic resistome and its shaping path across complex ecological gradients, highlighting terrestrial disturbances as determinative forces in shaping coastal sediment antibiotic resistomes.

Xiong, Shangling↗

The right conditions for high-precision dynamic temperature and heat capacity measurement via pyrometry and conductivity

The pursuit of accurate bulk temperature T under extreme conditions has been a long-standing goal of the high pressure science community, complicated by a lack of data to inform models. To reach these extremely high-pressure, high-temperature (high P − T) conditions, a combination of dynamic and heated static experiments (e.g., diamond or gem anvil cel experiments) are used. For example, in a diamond anvil cell (DAC) experiment, a sample placed in the DAC is first pressurized. Following pressurization, the sample T is increased either by heating the entire DAC (usually using resistive heating, and limited to ∼1000K) or by applying intense laser power to the sample surfaces. In a dynamic experiment, the process of pressurizing the sample also heats it. In the case of shock physics experiments, such heating is substantial, easily reaching thousands of Kelvin; in our work we have seen T ∼17000K. Most methods of measuring temperature at ambient are not compatible with experiments under these high-pressure, high-temperature conditions: thermocouples break, melt, or have conductivity properties that differ from ambient where they are calibrated; thermometers would melt; both are too slow. As a result most methods are based on non-contact techniques such as x-ray diffraction broadening, neutron scattering, or optical methods. Of these, optical methods using the visible and near-infrared region of the spectrum are the most commonly used as the sources and detectors are readily available. In the case of optical methods the optical depth, and therefore the measurement location, is limited to the surface. When a window or anvil material is used, heat flows from the sample into the window/anvil. Likewise, if the sample undergoes a change in thermodynamic state, such as expansion upon release, different T may be expected. As a result, the surface or apparent temperature T app measurement will differ from the bulk or interior temperature that is desired. This surface measurement must be related to the bulk measurement using thermal transport models and material models. While it is tempting to conclude that one should just use x-ray methods that directly probe the interior, even these methods have been shown to depend on thermal transport and material models. Regardless of the method used to create the high P − T condition, therefore, we must understand the role of thermal transport and material models upon our interpretation of the T measurement, as well as the errors and uncertainties associated with the choice of models used in the analysis. This is a substantial area of research and this paper is by no means a complete survey of the relevant sources of uncertainty. For example, we have yet to begin to address alternate transport models in a detailed manner (e.g., Tan-Ahrens), or the many models that use additional layers to approximate melting, turbulence, or epitaxial phenomena). Likewise, we have not explored the impact upon uncertainty of thermal models that use temperature-dependent thermal transport coefficients, or the wide range of material models that can be applied. Instead, this paper focuses on using one simple model, the Urtiew-Grover model, to understand the sources of error in T measurement so that we may identify how best to focus future research efforts to return the best improvements and avoid working on over-optimizing a single type of measurement. To this end, we work through some of the best and worst case scenarios for T measurement.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Measurement of $\nu_\mu$ CC Interactions With Two-Proton Final State in MINERvA

This dissertation presents a measurement of charged–current (CC) muon–neutrino interactions with exactly two protons and no pions in the final state (CC~$2p\,0\pi$), using data collected by the MINERvA detector in the NuMI medium–energy beam at Fermilab. Such two–proton topologies are a sensitive probe of nuclear dynamics in the few–GeV regime, including multi–nucleon correlations (npnh, notably $2p2h$) and intranuclear final–state interactions (FSI) such as pion absorption and nucleon rescattering. A precise experimental characterization of these processes is essential both for neutrino–interaction theory and for reducing systematic uncertainties in oscillation experiments that rely on accurate modeling of neutrino–nucleus interactions. Events are selected by requiring a $\nu_\mu$ CC interaction with a reconstructed $\mu^-$ and two proton tracks originating from a common vertex in MINERvA’s finely segmented scintillator tracker, with no reconstructed mesons. Muon charge and momentum are constrained by matching to the MINOS Near Detector, while proton identification exploits energy–loss profiles and stopping–proton features. Backgrounds from pion–producing channels that enter the signal region through FSI or reconstruction effects are constrained with data–driven sidebands (Michel–electron and isolated–cluster “blob” samples) and tuned via a simultaneous fit across signal and sideband regions. To correct detector resolution and acceptance effects, the analysis employs iterative Bayesian unfolding with extensive validation: statistical pseudo–experiments, and robustness checks against generator systematic “universes” and additional strong shape warps. Single–differential cross sections are reported for three observables tailored to the two–proton final state: the opening–angle cosine $\cos\!\left(\theta_{pp}\right)$, the leading–proton momentum, and the subleading–proton momentum. Systematic uncertainties include contributions from neutrino flux, interaction modeling (e.g., npnh and resonance parameters, pion FSI), and detector response (calibration, reconstruction efficiencies). The resulting distributions provide targeted constraints on the interplay of multi–nucleon dynamics and FSI that shape CC~$2p\,0\pi$ final states on hydrocarbon. Comparisons to modern GENIE–based simulations highlight kinematic regions where model components require refinement. These measurements thus inform generator tuning and improve the reliability of neutrino–energy reconstruction strategies for current and future long–baseline oscillation programs.

Syrotenko, Vladyslav S. [Tufts U.]↗

Design and Characterization of a Transcriptional Repression Toolkit for Plants

Regulation of gene expression is essential for all life. Tools to manipulate the gene expression level have therefore proven to be very valuable in efforts to engineer biological systems. However, there are few well-characterized genetic parts that reduce gene expression in plants, commonly known as transcriptional repressors. We characterized the repression activity of a library consisting of repression motifs from approximately 25% of the members of the largest known family of repressors. Combining sequence information with our trans-regulatory function data, we next generated a library of synthetic transcriptional repression motifs with function predicted in advance. After characterizing our synthetic library, we demonstrated not only that many of our synthetic constructs were functional as repressors but also that our advance predictions of repression strength were better than random guesses. Finally, we assessed the functionality of known transcriptional repression motifs from a wide range of eukaryotes. Our study represents the largest plant repressor motif library experimentally characterized to date, providing unique opportunities for tuning transcription in plants.

59 BASIC BIOLOGICAL SCIENCES↗

Efficient computational design of two-dimensional van der Waals heterostructures: Band alignment, lattice mismatch, and machine learning

Here, we develop a computational database, website applications (web-apps), and machine-learning (ML) models to accelerate the design and discovery of two-dimensional (2D) heterostructures. Using density functional theory (DFT) based lattice parameters and electronic band energies for 674 nonmetallic exfoliable 2D materials, we generate 226 779 possible bilayer heterostructures. We classify these heterostructures into type-I, -II, and -III systems according to Anderson’s rule, which is based on the relative band alignments of the noninteracting monolayers. We find that type II is the most common and type III the least common heterostructure type. We subsequently analyze the chemical trends for each heterostructure type in terms of the Periodic Table of constituent elements. The band alignment data can also be used for identifying photocatalysts and high-work-function 2D metals for contacts. We validate our results by comparing them to experimental data as well as hybrid-functional predictions. Additionally, we carry out DFT calculations of a few selected systems (MoS 2 /WSe 2 , MoS 2 /h-BN, and MoSe 2 /CrI 3 ), to compare the band-alignment description with the predictions from Anderson’s rule. We develop web-apps to enable users to virtually create combinations of 2D materials and predict their properties. Additionally, we use ML tools to predict band-alignment information for 2D materials. The web-apps, tools, and associated data will be distributed through the JARVIS-HETEROSTRUCTURE website. Our analysis, results, and the developed web-apps can be applied to the screening and design applications, such as finding alternative photocatalysts, photodetectors, and high-work-function (WF) 2D-metal contacts.

2-dimensional systems↗

Novel principal component analysis tool based on python for analysis of complex spectra of time-of-flight secondary ion mass spectrometry

Time-of-flight secondary ion mass spectrometry (ToF-SIMS) is a powerful surface analysis tool, which can simultaneously provide elemental, isotopic, and molecular information with part per million (ppm) sensitivity. However, each spectrum may be composed of hundreds of ion signals, which makes the spectra data complex. Principal component analysis (PCA) is a multivariate analysis technique that has been widely used to figure out the variances among samples in ToF-SIMS spectra data analysis and is showing great success in the explanation of complex ToF-SIMS spectra. So far, several software tools have been developed for PCA of ToF-SIMS spectra; however, none of them are freely available. Such a situation leads to some difficulties in extending applications of PCA to various research fields. More importantly, it has long been challenging for common researchers to understand PCA plots and extract chemical differences among samples. In this work, we developed a new and flexible software tool (named “advanced spectra pca toolbox”) based on python for PCA of complex ToF-SIMS spectra along with an easy-to-read manual. It can generate data analysis reports automatically to explain chemical differences among samples, allowing less experienced researchers to easily understand tricky PCA results. Moreover, it is expandable and compatible with artificial intelligence/machine learning functions. Pure goethite and different lignin adsorbed goethite samples were used as a model system to demonstrate our new software tool, proving that our software tool can be readily used in complex spectra data processing. Our new software tool is open-source, convenient, flexible, and expandable. We expect this open-source tool will benefit the ToF-SIMS community.

47 OTHER INSTRUMENTATION↗

Land and Atmosphere Near-Real-Time Capability for Earth Observing System

The past decade has seen a rapid increase in availability and usage of near-real-time data from satellite sensors. The EOSDIS (Earth Observing System Data and Information System) was not originally designed to provide data with sufficiently low latency to satisfy the requirements for near-real-time users. The EOS (Earth Observing System) instruments aboard the Terra, Aqua and Aura satellites make global measurements daily, which are processed into higher-level 'standard' products within 8-40 hours of observation and then made available to users, primarily earth science researchers. However, applications users, operational agencies, and even researchers desire EOS products in near-real-time to support research and applications, including numerical weather and climate prediction and forecasting, monitoring of natural hazards, ecological/invasive species, agriculture, air quality, disaster relief and homeland security. These users often need data much sooner than routine science processing allows, usually within 3 hours, and are willing to trade science product quality for timely access. While Direct Broadcast provides more timely access to data, it does not provide global coverage. In 2002, a joint initiative between NASA (National Aeronautics and Space Administration), NOAA (National Oceanic and Atmospheric Administration), and the DOD (Department of Defense) was undertaken to provide data from EOS instruments in near-real-time. The NRTPE (Near Real Time Processing Effort) provided products within 3 hours of observation on a best-effort basis. As the popularity of these near-real-time products and applications grew, multiple near-real-time systems began to spring up such as the Rapid Response System. In recognizing the dependence of customers on this data and the need for highly reliable and timely data access, NASA's Earth Science Division sponsored the Earth Science Data and Information System Project (ESDIS)-led development of a new near-real-time system called LANCE (Land, Atmosphere Near-Real-Time Capability for EOS) in 2009. LANCE consists of special processing elements, co-located with selected EOSDIS data centers and processing facilities. A primary goal of LANCE is to bring multiple near-real-time systems under one umbrella, offering commonality in data access, quality control, and latency. LANCE now processes and distributes data from the Moderate Resolution Imaging Spectroradiometer (MODIS), Atmospheric Infrared Sounder (AIRS), Advanced Microwave Scanning Radiometer Earth Observing System (AMSR-E), Microwave Limb Sounder (MLS) and Ozone Monitoring Instrument (OMI) instruments within 3 hours of satellite observation. The Rapid Response System and the Fire Information for Resource Management System (FIRMS) capabilities will be incorporated into LANCE in 2011. LANCE maintains a central website to facilitate easy access to data and user services. LANCE products are extensively tested and compared with science products before being made available to users. Each element also plans to implement redundant network, power and server infrastructure to ensure high availability of data and services. Through the user registration system, users are informed of any data outages and when new products or services will be available for access. Building on a significant investment by NASA in developing science algorithms and products, LANCE creates products that have a demonstrated utility for applications requiring near-real-time data. From lower level data products such as calibrated geolocated radiances to higher-level products such as sea ice extent, snow cover, and cloud cover, users have integrated LANCE data into forecast models and decision support systems. The table above shows the current near-real-time product categories by instrument. The ESDIS Project continues to improve the LANCE system and use the experience gained through practice to seek adjustments to improve the quality and performance of the system. For example, anGC-compliant Web Map Service (WMS) will be added shortly that will allow users to download geo-referenced MODIS images for arbitrary bounding boxes. Further, an OGC-compliant Web Coverage Service (WCS) will be added later this year that will expedite user access to arbitrary data subsets or re-formatted products. AIRS images are now served through WMS and available in multiple formats (PNG, GeoTIFF, KMZ). NASA has established a LANCE User Working Group to steer the development of the system and create a forum for sharing ideas and experiences that are expected to further improve the LANCE capabilities. The LANCE system has proved a success by satisfying the growing needs of the applications and operational communities for land and atmosphere data in near-real-time. NASA's Earth Sciences Division was able to leverage existing science research capabilities to provide the near-real-time community with products and imagery that support monitoring of disasters in a timely manner.

Murphy, Kevin J.↗

Concept of Operations for Management by Trajectory

This document describes Management by Trajectory (MBT), a concept for future air traffic management (ATM) in which every flight operates in accordance with a four-dimensional trajectory (4DT) that is negotiated between the airspace user and the Federal Aviation Administration (FAA) to respect the airspace user's goals while complying with National Airspace System (NAS) constraints. In the present-day NAS, the ATM system attempts to predict the trajectory for each flight based on the approved flight plan and scheduled or controlled departure time. However, once the aircraft starts to move, controllers tactically manage the aircraft to implement traffic management restrictions, separate otherwise conflicting aircraft, and address arising NAS constraints. Tactical controller actions are not directly communicated to the automation systems or other stakeholders. Furthermore, the initial trajectory prediction does not anticipate these disruptions or how they will impact the flight. Consequently, and compounded by gaps in required data and models, trajectory predictions are less accurate than possible, which affects Traffic Flow Management (TFM) performance. A cornerstone of the MBT concept is that all air vehicles have, at all times, an assigned 4DT from their current state to their destination. These assigned trajectories consist of trajectory constraints and descriptions. Pilots and air traffic controllers, with the aid of automation, operate the aircraft to comply with the assigned trajectory, unless first negotiating a revision. Equipped aircraft have substantial responsibility for complying with the assigned trajectory without controller intervention. To maximize the operational flexibility available to the airspace user, the assigned trajectory only imposes trajectory constraints as required to achieve the ATM goals of NAS constraint compliance and aircraft separation. Trajectory descriptions are added to the assigned trajectory to ensure sufficient predictability. To further improve trajectory prediction accuracy, airspace users supplement the assigned trajectory by broadcasting intent information and updating it as necessary. Air vehicle intent is a more detailed description of the airspace user's plan for how the flight will fly the assigned trajectory. Air vehicle intent can change freely, without negotiation, as long as it remains in compliance with the assigned trajectory. Aircraft assigned trajectories, air vehicle intent, and predicted trajectories are shared, creating a common view among stakeholders. A NAS Constraint Service gathers and publishes information about all known NAS constraints, enabling airspace users to be informed participants in trajectory negotiation. Trajectory constraints in the assigned trajectory are mapped to NAS constraints to facilitate identifying which aircraft are affected when NAS constraints change. To support efficient trajectory negotiation, all aircraft provide current information about air vehicle capabilities. Assigned trajectories are constructed to satisfy all known NAS constraints, improving trajectory stability and predictability. Uncertainty and disruptions are handled by modifying the assigned trajectory as far in advance as possible. By proactively negotiating changes to the assigned trajectory, rather than relying on controller-selected tactical actions such as vectors to resolve traffic conflicts or implement miles-in-trail restrictions, MBT keeps aircraft on closed trajectories that are fully known to all stakeholders. Since reactive air traffic control actions cannot be predicted in advance, the downstream trajectory cannot be accurately predicted until they happen. Reliable trajectory predictions allow the system to identify needed modifications to trajectories further in advance, where they can be negotiated and communicated as amendments (i.e., additional or altered trajectory constraints) to the assigned trajectory. Decision Support Tools (DSTs) aid controllers in rapidly defining and communicating closed trajectories to the aircraft and support all stakeholders in trajectory negotiation. Anticipated MBT benefit mechanisms include more accurate trajectory predictions, improved ATM performance and robustness to off-nominal conditions, increased flexibility and operational efficiency, reduced impediments to emerging classes of airspace users accessing NAS resources, reduced environmental impacts, and enhanced safety.

ConOps↗

GES DISC Datalist Improves Earth Science Data Discoverability

At American Geophysical Union(AGU) 2016 Fall Meeting, Goddard Earth Sciences Data Information Services Center (GES DISC) unveiled a novel way to access data: Datalist. Currently, datalist is a collection of predefined data variables from one or more archived datasets, curated by our subject matter expert (SME). Our science support team has curated a predefined Hurricane Datalist and received very positive feedback from the user community. Datalist uses the same architecture our new website uses and have the same look and feel as other datasets on our web site. and also provides a one-stop shopping for data, metadata, citation, documentation, visualization and other available services. Since the last AGU Meeting, we have further developed a few new datalists corresponding to the Big Earth Data Initiative (BEDI) Societal Benefit Areas and A-Train data. We now have four datalists: Hurricane, Wind Energy, Greenhouse Gas and A-Train. We have also started working with our User Working Group members to create their favorite datalists and working with other DAAC to explore the possibility to include their products in our datalists that may also lead to a future of potential federated (cross-DAAC) datalists. Since our datalist prototype effort was a success, we are planning to make datalist operational. It's extremely important to have a common metadata model to support datalist, this will also be the foundation of federated datalist. We mapped our datalist metadata model to the unpublished UMM(Universal Metadata Model)-Var (Variable) (June version) and found that the UMM-var together with UMM-C (Collection) and possible UMM-S (Service) will meet our basic requirements. For example: Dataset shortname, and version are already specified in UMM-C, variable name, long name, units, dimensions are all specified in UMM-Var. UMM-Var also facilitates Science Keywords to allow tagging at variable level and Characteristics for optional variable characteristics. Measurements is useful for grouping of the variables and Set is promising to define datalist. And finally, the UMM-Service model to specify the available services for the variable will be very beneficial. In summary, UMM-Var, UMM-C and UMM-S are the basis of federated datalist and the development and deployment of datalist will contribute to the evolution of the UMM.

datalist↗

Development of a Techno-Economic Analysis Framework for a Solar Thermochemical Fuel Production Process

Synthetic liquid fuels can provide a drop-in substitute for fossil-based fuels in sectors such as aviation and maritime, where electrification is not a viable option due to the need for high specific energy density. However, for these alternative fuels to be adopted at a commercial scale, their price must be competitive compared to their fossil-based counterparts. The reverse water-gas shift (RWGS) reaction offers a promising pathway, using hydrogen (sourced from electrolysis) and carbon dioxide as the feed and reacting to produce syngas - a mixture of H2 and CO at a specific ratio. Syngas is a useful precursor that can be converted into fuels and chemicals via known downstream processes, such as liquid transportation fuels via Fischer-Tropsch (FT) synthesis. The RWGS reaction is currently not applied in commercial scale, unlike the rest of the components in the process chain (electrolyzers and syngas-to-fuel synthesis units). The RWGS reaction poses several challenges due to its restrictive thermodynamics. Being an equimolar reaction, high temperatures and a large excess of H2 are needed to achieve reasonable CO2 conversion at equilibrium. This has detrimental effects on practical process implementation and the quality of syngas that can be produced, with direct effect on the energy and capital requirements, as well as the need for expensive downstream separation. In this work, we are proposing to develop a new concentrating solar thermal (CST) compatible RWGS reactor, performing the reaction in a 2-step chemical looping process using metal oxide at a temperature range of 600-800 degrees Celsius. By decoupling the reactor from the solar receiver, the Generation 3 (Gen3) CST technology could be utilized, together with its proposed thermal energy storage (TES) technology, benefitting from a good match to the required temperatures. CST technology is a viable option for supplying the heat that could be rapidly deployed in scale, thus being a good match to the gas-to-liquid (GTL) process which requires a large minimal scale to be commercially viable. The integration of TES with CST also allows operating the plant at large annual capacity factors and avoids multiple shutdown/startup cycles, thus fitting into the steady-state operation mode that most GTL processes require. The main innovation in the proposed design hinges on a countercurrent reaction design using a packed bed reactor. In 2019 Metcalfe et al. showed the benefits of countercurrent species exchange could be realized in a redox chemical-looping processes, by storing the favorable countercurrent chemical potential profiles in a packed bed of non-stoichiometric oxide. Metcalfe et al. applied this breakthrough concept to the WGS reaction, which is conventionally a co-feed catalytic process, showing a dramatic improvement. Bulfin et al. (2023) performed a similar proof-of-concept demonstration for the RWGS reaction using CeO2, achieving cumulative and peak CO2 conversions of 88% and 95%, respectively, compared to a thermodynamic limit of 58% for the co-feed catalytic process at the same conditions. In our new REGENLOOP project, we are developing a reactor prototype from the heat-exchange packed bed reactor-type, a commonly used reactor in the chemical industry. The endothermic heat of reduction will be supplied to the reactor using CST, while the same heat transfer fluid (HTF) mechanism will be used to extract the exothermic heat of oxidation. An array of multiple reactors is used to supply constant high-purity CO stream, that is then mixed with H2 from electrolysis to produce a high-purity syngas at the required composition. By removing the CO-CO2 separation after the RWGS process, significant energy and cost reduction can be achieved. A physics-based TEA framework is currently being developed, covering all the major plant processes, from the solar collection through storage, chemical looping RWGS, GTL, and auxiliary unit operations, up to the liquid hydrocarbon product. This modeling framework will utilize reduced-order models for the chemical looping RWGS and TES, CST modeling using SolarPILOT, and Aspen Plus for the GTL. By using this combined physics-based approach, the effects of design/operating parameters on the performance and cost can be elucidated. In our presentation, the modeling framework will be presented in detail, including preliminary cost predictions of using this plant configuration under a few selected relevant case studies. This study will be used to identify the major cost drivers, informing further system design and optimization needed to chart the way for a commercially viable pathway.

14 SOLAR ENERGY↗