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ANTLR Tree Grammar Generator and Extensions

A computer program implements two extensions of ANTLR (Another Tool for Language Recognition), which is a set of software tools for translating source codes between different computing languages. ANTLR supports predicated- LL(k) lexer and parser grammars, a notation for annotating parser grammars to direct tree construction, and predicated tree grammars. [ LL(k) signifies left-right, leftmost derivation with k tokens of look-ahead, referring to certain characteristics of a grammar.] One of the extensions is a syntax for tree transformations. The other extension is the generation of tree grammars from annotated parser or input tree grammars. These extensions can simplify the process of generating source-to-source language translators and they make possible an approach, called "polyphase parsing," to translation between computing languages. The typical approach to translator development is to identify high-level semantic constructs such as "expressions," "declarations," and "definitions" as fundamental building blocks in the grammar specification used for language recognition. The polyphase approach is to lump ambiguous syntactic constructs during parsing and then disambiguate the alternatives in subsequent tree transformation passes. Polyphase parsing is believed to be useful for generating efficient recognizers for C++ and other languages that, like C++, have significant ambiguities.

Craymer, Loring↗

Advanced Energy Scale Correction Techniques for the X-ray Transition Edge Sensors of the Athena mission

The X-ray Integral Field Unit (X-IFU) onboard the future European X-ray telescope Athena will be the first space instrument carrying an array of more than a thousand transition edge sensors. One of the key challenges of the X-IFU is the measurement of narrow X-ray atomic lines to determine velocity shifts at an unprecedented level of accuracy. For this reason, the energy scale of the instrument needs to be known with extreme accuracy, of 0.4 eV (1σ) up to 7 keV. The energy scale will be measured on the ground through a dedicated calibration campaign using fiducial X-ray sources. Though calibrated, the energy scale is extremely sensitive to the environmental conditions around the TES array, and drifts in the readout chain electronics. Uncorrected, the energy scale can naturally drift up to hundreds of eVs. Changes of the TES gain will be monitored via onboard X-ray calibration sources, and the energy scale will be corrected either per pixel, or within a small groups of pixels. Although simulations show that a 0.4 eV level can be achieved, the very high accuracy required by the X-IFU calls for experimental validation. A dedicated measurement campaign has been performed by NASA Goddard Space Flight Center to characterize the energy scale of a prototype kilo-pixel array of X-IFU-representative TESs. The analysis of the data demonstrated the ability to correct for various drifts using two fiducial lines to track the temporal gain variation. In this paper, we propose to extend this study on the same data set by investigating multi-parameter correction techniques based on both the pulse-height of the fiducial line and the prepulse baseline level, using the knowledge of the TES energy scale at reference temperature/magnetic field set points acquired on the ground. Investigations on the co-adding of pixels to perform a joint correction over pools of pixels is also explored.

79 ASTRONOMY AND ASTROPHYSICS↗

Solution of the Schrödinger equation for quasi-one-dimensional materials using helical waves

We formulate and implement a spectral method for solving the Schrödinger equation, as it applies to quasi-one-dimensional materials and structures. This allows for computation of the electronic structure of important technological materials such as nanotubes (of arbitrary chirality), nanowires, nanoribbons, chiral nanoassemblies, nanosprings and nanocoils, in an accurate, efficient and systematic manner. Our work is motivated by the observation that one of the most successful methods for carrying out electronic structure calculations of bulk/crystalline systems — the plane-wave method — is a spectral method based on eigenfunction expansion. Our scheme avoids computationally onerous approximations involving periodic supercells often employed in conventional plane-wave calculations of quasi-one-dimensional materials, and also overcomes several limitations of other discretization strategies, e.g., those based on finite differences and atomic orbitals. The basis functions in our method — called helical waves (or twisted waves) — are eigenfunctions of the Laplacian with symmetry adapted boundary conditions, and are expressible in terms of plane waves and Bessel functions in helical coordinates. We describe the setup of fast transforms to carry out discretization of the governing equations using our basis set, and the use of matrix-free iterative diagonalization to obtain the electronic eigenstates. Miscellaneous computational details, including the choice of eigensolvers, use of a preconditioning scheme, evaluation of oscillatory radial integrals and the imposition of a kinetic energy cutoff are discussed. We have implemented these strategies into a computational package called HelicES (Helical Electronic Structure). We demonstrate the utility of our method in carrying out systematic electronic structure calculations of various quasi-one-dimensional materials through numerous examples involving nanotubes, nanoribbons and nanowires. We also explore the convergence properties of our method, and assess its accuracy and computational efficiency by comparison against reference finite difference, transfer matrix method and plane-wave results. We anticipate that our method will find applications in computational nanomechanics and multiscale modeling, for carrying out transport calculations of interest to the field of semiconductor devices, and for the discovery of novel chiral phases of matter that are of relevance to the burgeoning quantum hardware industry.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Connection forces in deformable multibody dynamics

In the dynamic formulation of holonomic and nonholonomic systems based on D'Alembert-Lagrange equation, the forces of constraints are maintained in the dynamic equations by introducing auxiliary variables, called Lagrange multipliers. This approach introduces a set of generalized reaction forces associated with the system generalized coordinates. Different sets of variables can be used as generalized coordinates and accordingly, the generalized reactions associated with these generalized coordinates may not be the actual reaction forces at the joints. In rigid body dynamics, the generalized reaction forces and the actual reaction forces at the joints represent equipollent systems of forces since they produce the same total forces and moments at and about any point on the rigid body. This is not, however, the case in deformable body analyses wherein the generalized reaction forces depend on the system generalized reference and elastic coordinates. In this paper, a method for determining the actual reaction forces at the joints from the generalized reaction forces in deformable multibody systems is presented.

Shabana, A. A.↗

Water Level Data from Wells PLM1 and PLM6 for the East River Watershed, Colorado

This dataset (Williams et al., 2020) contains the original un-QA/QC-ed water level data for PLM1 and PLM6 and has been obsoleted. The data contained within this dataset is not to be used. Refer to Faybishenko et al., 2022 (DOI: 10.15485/1866836) for the latest QA/QC-ed data available via ESS-DIVE.This data set contains water level data for the PLM1 and PLM6 wells. PLM1 and PLM6 are location identifiers used by the Watershed Function SFA project for two groundwater monitoring wells along an elevation gradient located along the lower montane life zone of a hillslope near the Pumphouse location. These wells used to monitor subsurface water and carbon inventories and fluxes at the East River Watershed, Colorado, USA. Complete metadata information on the PLM1 and PLM6 wells are available in the related data package reference Varadharajan C, et al (2020). https://doi.org/10.15485/1660962.Data are reported in .csv files per well. The latitude and longitude of each location are given in a file called locations.csv. These data are used for determining the seasonally dependent flow of groundwater under the PLM hillslope. The downslope flow of groundwater in combination with data on groundwater chemistry can be used to estimate rates of solute export from the hillslope to the floodplain and river.These data products are part of the Watershed Function Scientific Focus Area collection effort to further scientific understanding of biogeochemical dynamics from genome to watershed scales.

54 ENVIRONMENTAL SCIENCES↗

Managing Uncertainty Due to a Fundamental Error Source Arising from Scatterer Distribution Complexity in Radar Remote Sensing of Precipitation

The assumption that cloud and rain drops are spatially distributed according to a Poisson distribution within a scattering volume probed by a radar being used to estimate precipitation has represented bedrock theory in establishing 'rules of the game' for pulse averaging--the process needed to beat down noise to an acceptable level in the measurement of radar reflectivity factor. Based on relatively recent observations of 'realistic' spatial distributions of hydrometeor scatterers in a cloudy atmosphere motivates a renewed examination of the consequences of using a too simplified assumption underlying volume scattering--particularly in regards to the standard pulse averaging rule. Our investigation addresses two extremes, simple to complex, insofar as allowed for complexities in an underlying scatterer distribution. It is demonstrated that as the spatial distribution ranges from Poisson (a narrow distribution) to multi-fractal (much broader distribution), uncertainty in a measurement increases if the rule for pulse averaging goes unchanged from its Poisson distribution reference county. [A bounded cascade is used for the multi-fractal distribution, a regularly observed distribution vis-a-vis cloud liquid water content.] The resultant measurement uncertainty leads to a fundamental source of error in the estimation of rain rate from radar measurements, one that has been disregarded since the early 1950s when radar sets first began to be used for rainfall measuring. It is shown how this source of error can be 'managed'--under the assumption that number of data analysis experiments would be carried out, experiments involving pulse-by-pulse measurements obtained from a radar set modified to output individual pulses of reflectivity factor. For practical applications, a new parameter called normalized k-sample intensity invariance is developed to enable defining the required pulse average count according to a preferred degree of uncertainty.

Smith, Eric A.↗

Feeding Ten Billion People Is Possible Within Four Terrestrial Planetary Boundaries

Global agriculture puts heavy pressure on planetary boundaries, posing the challenge to achieve future food security without compromising Earth system resilience. On the basis of process-detailed, spatially explicit representation of four interlinked planetary boundaries (biosphere integrity, land-system change, freshwater use, nitrogen flows) and agricultural systems in an internally consistent model framework, we here show that almost half of current global food production depends on planetary boundary transgressions. Hotspot regions, mainly in Asia, even face simultaneous transgression of multiple underlying local boundaries. If these boundaries were strictly respected, the present food system could provide a balanced diet (2,355 kcal per capita per day) for 3.4 billion people only. However, as we also demonstrate, transformation towards more sustainable production and consumption patterns could support 10.2 billion people within the planetary boundaries analysed. Key prerequisites are spatially redistributed cropland, improved water–nutrient management, food waste reduction and dietary changes. Adoption of the Sustainable Development Goals by all nations in 2015 is the first ever commitment to a world development path that safeguards the stability of the Earth system as a prerequisite for meeting universal human standards1. The longstanding challenge of achieving food security through sustainable agriculture is particularly acute in this context as world agriculture is a leading cause for the current transgressions of multiple planetary boundaries (PBs) globally and regionally2–5. The PB framework is a comprehensive scientific attempt to synoptically define our planet’s biogeophysical limits to anthropogenic interference. It suggests bounds to nine interacting processes that together delineate a Holocene-like Earth system state. The Holocene is chosen as the reference state as it is the only period known to provide a safe operating space for a world population of several billion people, and according to a precautionary principle, the PBs are set in sufficient distance from processes that may critically undermine Earth system resilience and global sustainability. A challenging question, thus, is whether human development goals such as food security can be met while maintaining multiple PBs along with their subglobal manifestations. Further PB transgressions could jeopardize the chances of providing sufficient food for a world population projected to be wealthier and reach >9 billion by 2050. This conundrum portrays a tradeoff between Earth’s biophysical carrying capacity and humankind’s rising food demand, calling in response for radical rethinking of food production and consumption patterns6–9. Yield gap closures, avoidance of excessive input use, shifts towards less resource-demanding diets, food waste reductions and efficient international trade are crucial options for sustainably increasing the food supply10–15. For example, enhancing water-use efficiency on irrigated and rain-fed farms can triple or quadruple crop yields in low-performing systems, suggesting possible global gains of >20% (ref. 16). Even higher gains appear feasible through globally optimized configurations of the land-use pattern17, and cutting food losses by half could generate food for another billion people18. Thus, collective large-scale implementation of such options could sustain food for a further growing world population19. Yet achieving this within a safe operating space as defined by PBs requires not only a halt to but actually a reversal of existing PB transgressions. Previous studies suggest that such a reconciliation might be possible, but these were based on aggregate representations of PBs (not accounting for the spatial patterns of limits, transgressions and interactions) or considered only one boundary in isolation17,20–23. Here, we systematically quantify to what extent current food production depends on local to global transgressions of the PBs for biosphere integrity, land-system change, freshwater use and nitrogen (N) flows, along with the potential of a range of solutions to avoid these transgressions and still increase food supply (Table 1). To this end, we configured an internally consistent process-based model of the terrestrial biosphere including agriculture (LPJmL) with multiple spatially distributed PBs and their interactions. LPJmL is among the longest-established and best-evaluated biosphere models, showing robust performance regarding simulation of, for example, carbon, water and crop yield dynamics (Supplementary Figs. 1 and 2 and Supplementary Table 1; see ref. 24 for a comprehensive benchmarking and Supplementary Methods for more detail on model evaluations). In principle following established definitions4, we refine the computation of some PBs with respect to their regional patterns and interactions (Methods), providing globally gridded precautionary limits to human interference with the Earth system at a level of great detail. In particular, we account for the evidence that many PBs need to be represented spatially explicitly4 to cover their

Gerten, Dieter↗

Information Power Grid: Distributed High-Performance Computing and Large-Scale Data Management for Science and Engineering

We use the term "Grid" to refer to distributed, high performance computing and data handling infrastructure that incorporates geographically and organizationally dispersed, heterogeneous resources that are persistent and supported. This infrastructure includes: (1) Tools for constructing collaborative, application oriented Problem Solving Environments / Frameworks (the primary user interfaces for Grids); (2) Programming environments, tools, and services providing various approaches for building applications that use aggregated computing and storage resources, and federated data sources; (3) Comprehensive and consistent set of location independent tools and services for accessing and managing dynamic collections of widely distributed resources: heterogeneous computing systems, storage systems, real-time data sources and instruments, human collaborators, and communications systems; (4) Operational infrastructure including management tools for distributed systems and distributed resources, user services, accounting and auditing, strong and location independent user authentication and authorization, and overall system security services The vision for NASA's Information Power Grid - a computing and data Grid - is that it will provide significant new capabilities to scientists and engineers by facilitating routine construction of information based problem solving environments / frameworks. Such Grids will knit together widely distributed computing, data, instrument, and human resources into just-in-time systems that can address complex and large-scale computing and data analysis problems. Examples of these problems include: (1) Coupled, multidisciplinary simulations too large for single systems (e.g., multi-component NPSS turbomachine simulation); (2) Use of widely distributed, federated data archives (e.g., simultaneous access to metrological, topological, aircraft performance, and flight path scheduling databases supporting a National Air Space Simulation systems}; (3) Coupling large-scale computing and data systems to scientific and engineering instruments (e.g., realtime interaction with experiments through real-time data analysis and interpretation presented to the experimentalist in ways that allow direct interaction with the experiment (instead of just with instrument control); (5) Highly interactive, augmented reality and virtual reality remote collaborations (e.g., Ames / Boeing Remote Help Desk providing field maintenance use of coupled video and NDI to a remote, on-line airframe structures expert who uses this data to index into detailed design databases, and returns 3D internal aircraft geometry to the field); (5) Single computational problems too large for any single system (e.g. the rotocraft reference calculation). Grids also have the potential to provide pools of resources that could be called on in extraordinary / rapid response situations (such as disaster response) because they can provide common interfaces and access mechanisms, standardized management, and uniform user authentication and authorization, for large collections of distributed resources (whether or not they normally function in concert). IPG development and deployment is addressing requirements obtained by analyzing a number of different application areas, in particular from the NASA Aero-Space Technology Enterprise. This analysis has focussed primarily on two types of users: the scientist / design engineer whose primary interest is problem solving (e.g. determining wing aerodynamic characteristics in many different operating environments), and whose primary interface to IPG will be through various sorts of problem solving frameworks. The second type of user is the tool designer: the computational scientists who convert physics and mathematics into code that can simulate the physical world. These are the two primary users of IPG, and they have rather different requirements. The results of the analysis of the needs of these two types of users provides a broad set of requirements that gives rise to a general set of required capabilities. The IPG project is intended to address all of these requirements. In some cases the required computing technology exists, and in some cases it must be researched and developed. The project is using available technology to provide a prototype set of capabilities in a persistent distributed computing testbed. Beyond this, there are required capabilities that are not immediately available, and whose development spans the range from near-term engineering development (one to two years) to much longer term R&D (three to six years). Additional information is contained in the original.

Johnston, William E.↗

Subtleties in the trainability of quantum machine learning models

A new paradigm for data science has emerged, with quantum data, quantum models, and quantum computational devices. This field, called quantum machine learning (QML), aims to achieve a speedup over traditional machine learning for data analysis. However, its success usually hinges on efficiently training the parameters in quantum neural networks, and the field of QML is still lacking theoretical scaling results for their trainability. Some trainability results have been proven for a closely related field called variational quantum algorithms (VQAs). While both fields involve training a parametrized quantum circuit, there are crucial differences that make the results for one setting not readily applicable to the other. In this work, we bridge the two frameworks and show that gradient scaling results for VQAs can also be applied to study the gradient scaling of QML models. Our results indicate that features deemed detrimental for VQA trainability can also lead to issues such as barren plateaus in QML. Consequently, our work has implications for several QML proposals in the literature. In addition, we provide theoretical and numerical evidence that QML models exhibit further trainability issues not present in VQAs, arising from the use of a training dataset. We refer to these as dataset-induced barren plateaus. These results are most relevant when dealing with classical data, as here the choice of embedding scheme (i.e., the map between classical data and quantum states) can greatly affect the gradient scaling.

97 MATHEMATICS AND COMPUTING↗

Lidar Buoy Data Dictionary: For the 2020 – 2021 California Deployments

Pacific Northwest National Laboratory (PNNL) manages two AXYS WindSentinel™ buoys (Buoys #120 and #130) on behalf of the U.S. Department of Energy (DOE) that collect a comprehensive set of meteorological and oceanographic (metocean) data to support resource characterization for wind energy offshore. The buoys have been deployed off the California coast in partnership with the Bureau of Ocean Energy Management (BOEM) from September 2020 through October 2021. One buoy was deployed within the Morro Bay Call Area offshore central California; the other buoy was deployed within the Humboldt Call Area off the coast of northern California. The measurements from the buoys are used to characterize the metocean conditions near potential locations for offshore wind lease areas and are uploaded to DOE’s Data Archive and Portal (DAP). Plots are updated on the DAP webpage to visualize the recent metocean measurements. This document serves as a data dictionary – or reference guide – for understanding and interpreting the data available from the buoys. This document includes: (1) specifications for the buoy instrumentation (Section 2.0) (2) description of each plot and definition of measured parameters (Section 3.0) (3) description of data files and naming convention (Appendix A) (4) reference guide of measurements and variables (Appendix B).

17 WIND ENERGY↗

Out of Distribution Detection with Neural Network Anchoring

This is code to reproduce and build on OOD detection from the paper "Out of Distribution Detection with Neural Network Anchoring". Our goal here is to exploit heteroscedastic temperature scaling as a calibration strategy for out of distribution (OOD) detection. Heteroscedasticity here refers to the fact that the optimal temperature parameter for each sample can be different, as opposed to conventional approaches that use the same value for the entire distribution. To enable this, we propose a new training strategy called anchoring that can estimate appropriate temperature values for each sample, leading to state-of-the-art OOD detection performance across several benchmarks. Using NTK theory, we show that this temperature function estimate is closely linked to the epistemic uncertainty of the classifier, which explains its behavior. In contrast to some of the best-performing OOD detection approaches, our method does not require exposure to additional outlier datasets, custom calibration objectives, or model ensembling. Through empirical studies with different OOD detection settings - far OOD, near OOD, and semantically coherent OOD - we establish a highly effective OOD detection approach.

Thiagarajan, Jayaraman↗

Lessons Learned from OSIRIS-Rex Autonomous Navigation Using Natural Feature Tracking

The Origins, Spectral Interpretation, Resource Identification, Security-Regolith Explorer (Osiris-REx) spacecraft is scheduled to launch in September, 2016 to embark on an asteroid sample return mission. It is expected to rendezvous with the asteroid, Bennu, navigate to the surface, collect a sample (July 20), and return the sample to Earth (September 23). The original mission design called for using one of two Flash Lidar units to provide autonomous navigation to the surface. Following Preliminary design and initial development of the Lidars, reliability issues with the hardware and test program prompted the project to begin development of an alternative navigation technique to be used as a backup to the Lidar. At the critical design review, Natural Feature Tracking (NFT) was added to the mission. NFT is an onboard optical navigation system that compares observed images to a set of asteroid terrain models which are rendered in real-time from a catalog stored in memory on the flight computer. Onboard knowledge of the spacecraft state is then updated by a Kalman filter using the measured residuals between the rendered reference images and the actual observed images. The asteroid terrain models used by NFT are built from a shape model generated from observations collected during earlier phases of the mission and include both terrain shape and albedo information about the asteroid surface. As a result, the success of NFT is highly dependent on selecting a set of topographic features that can be both identified during descent as well as reliably rendered using the shape model data available. During development, the OSIRIS-REx team faced significant challenges in developing a process conducive to robust operation. This was especially true for terrain models to be used as the spacecraft gets close to the asteroid and higher fidelity models are required for reliable image correlation. This paper will present some of the challenges and lessons learned from the development of the NFT system which includes not just the flight hardware and software but the development of the terrain models used to generate the onboard rendered images.

Navigation↗

Application of Powder Diffraction Methods to the Analysis of the Atomic Structure of Nanocrystals: The Concept of the Apparent Lattice Parameter (ALP)

The applicability of standard methods of elaboration of powder diffraction data for determination of the structure of nano-size crystallites is analysed. Based on our theoretical calculations of powder diffraction data we show, that the assumption of the infinite crystal lattice for nanocrystals smaller than 20 nm in size is not justified. Application of conventional tools developed for elaboration of powder diffraction data, like the Rietveld method, may lead to erroneous interpretation of the experimental results. An alternate evaluation of diffraction data of nanoparticles, based on the so-called 'apparent lattice parameter' (alp) is introduced. We assume a model of nanocrystal having a grain core with well-defined crystal structure, surrounded by a surface shell with the atomic structure similar to that of the core but being under a strain (compressive or tensile). The two structural components, the core and the shell, form essentially a composite crystal with interfering, inseparable diffraction properties. Because the structure of such a nanocrystal is not uniform, it defies the basic definitions of an unambiguous crystallographic phase. Consequently, a set of lattice parameters used for characterization of simple crystal phases is insufficient for a proper description of the complex structure of nanocrystals. We developed a method of evaluation of powder diffraction data of nanocrystals, which refers to a core-shell model and is based on the 'apparent lattice parameter' methodology. For a given diffraction pattem, the alp values are calculated for every individual Bragg reflection. For nanocrystals the alp values depend on the diffraction vector Q. By modeling different a0tomic structures of nanocrystals and calculating theoretically corresponding diffraction patterns using the Debye functions we showed, that alp-Q plots show characteristic shapes which can be used for evaluation of the atomic structure of the core-shell system. We show, that using a simple model of a nanocrystal with spherical shape and centro-symmetric strain at the surface shell we obtain theoretical alp-Q values which match very well the alp-Q plots determined experimentally for Sic, GaN, and diamond nanopowders. The theoretical models are defined by the lattice parameter of the grain core, thickness of the surface shell, and the magnitude and distribution of the strain field in the surface shell. According to our calculations, the part of the diffraction pattern measured at relatively low diffraction vectors Q (below 10/angstrom) provides information on the surface strain, whle determination of the lattice parameters in the grain core requires measurements at large Q-values (above 15 - 20/angstrom).

Palosz, B.↗

A Machine Learning Approach to Improve Air Traffic Management Initiatives

Collaborating closely with commercial air carriers and related organizations, the Federal Aviation Administration(FAA) regulates air traffic and ensures the safety and efficiency of air operations. Air traffic controllers make strategic decisions, such as delaying, rerouting, or canceling flights, partly based on guidance provided by the FAA’s Air TrafficControl System Command Center (ATCSCC). The guidance includes, among other things, control measures known asTraffic Management Initiatives (TMIs) designed to enhance safety and improve operational efficiency. TMIs play a crucial role in managing the demand and capacity within the U.S. National Airspace System (NAS). Two major TMIs that are routinely used (primarily to mitigate the adverse effects of bad weather) are Ground Delay Programs (GDPs) andGround Stops (GSs). In a GDP, flights destined for airports facing thunderstorm activity experience delays at their origin airports. This proactive approach minimizes the risk of routing aircraft through hazardous weather conditions and also replaces (fuel burning) airborne delays with ground delays. In a GS, a temporary restriction is imposed on the departure or arrival of aircraft at a specific airport or within a designated airspace. Although other TMIs (e.g., miles-in-trail) are also implemented as part of (air) traffic flow management in the NAS, the focus of this work is on GDPs and GSs. Since TMIs, by design, lead to flight delays or cancellations, it is crucial to put in place the right set of parameters(e.g., scope and duration of the GDP). For example, when the end time of a GDP extends beyond what is necessary, it imposes unnecessary delays on departing flights. This situation could occur as a result of inaccurate prediction of the(required) duration of the GDP based on the weather forecast. On the other hand, if a GDP ends prematurely before the underlying capacity constraints are resolved at the destination airport, it may result in airborne holding. The delicate balance lies in matching the termination of the GDP precisely with the resolution of capacity constraints, avoiding both the imposition of unnecessary ground delays and the need for airborne holding due to premature program termination.Failing to specify the right parameters for TMIs also leads to flight delays, creating a significant obstacle in managing the increasing traffic volumes causing increased work load for the controllers. To address this issue, we propose the integration of Machine Learning (ML) models in the traffic flow management(TFM) pipeline. In current operations, decisions are made by human experts based on extensive training, historical patterns, available traffic and weather data. Since we have an abundance of data from past events that tell us the likely impact of various TMIs, by ingesting historical data, properly trained ML models can offer valuable insights and aid human decision-making. With the FAA increasingly exploring advanced analytics, ML emerges as a focal point for enhancing TFM within the National Airspace System (NAS). As a first step, this study aims to provide traffic controllers with decision-making support for the issuance and adjustment of TMIs. Data analytics and machine learning have been previously employed to address some of the challenges associated with TMIs. Numerous studies have concentrated on various facets of TMI issuance, exploring factors influencing TMI parameters, including arrival rate, airport capacity, and delay prediction. For example, using weather forecasts, several statistical methods were used to produce probabilistic capacity profiles which in conjunction with deterministic models provided insights into the GDP planning process [1–4]. The downside of using deterministic models is that they rely on fixed inputs and predetermined rules, which lack the ability to account for the inherent uncertainty and variability present in real-world scenarios. In a separate series of studies, researchers aimed to predict the occurrences of GDPs and GSs. The majority of these studies utilized various supervised learning methods, including Decision Trees, Naive Bayes, Support VectorMachines, and Random Forests to analyze the influence of weather conditions and arrival demand on TMI incidents[5–8]. However, these studies primarily focused on predicting the incidence of TMIs without explicitly addressing the scope of TMIs, including their duration and their geographical coverage. Furthermore, the emphasis of these studies was largely on GDPs, given their higher frequency and longer duration when compared to GSs. A limited number of studies focused on predicting the parameters of TMIs, specifically addressing their duration and extent. In one such study focusing on optimizing the TMI parameters at San Francisco International Airport (SFO),the authors utilized a probabilistic forecast of fog [9]. They simulated various capacity scenarios based on the (fog)burn-off forecasts, selecting GDP parameters that minimized airborne and overall ground delays. However, this approach exclusively emphasizes stratus (fog) burn-off as the primary determinant of GDP and GS, neglecting other influential factors like severe weather events, runway closures, lower capacity than traffic demand, and other important variables. Given the complexity of predicting the TMI and determining its scope, we seek a more holistic approach. We aim to consider all significant factors that could impact TMIs and their parameters. What sets this research apart is the fusion of all data sources relevant to the issuance and adjustment of TMIs and it represents the first comprehensive attempt to optimize TMIs in this manner. Since this comprehensive solution involves various aspects, we break down the problem into smaller components and input all parameters into a unified model called the “TMI Adjuster”. Figure 1 shows the overall framework and the list of datasets used in each model. The objective of the TMI Adjuster module is to deliver reliable, consistent and expedited recommendations for the progression, adjustment, and termination of TMIs. The ML solution entails developing a pipeline capable of predicting the necessity of a TMI (e.g., GS or GDP) along with its various parameters. For example, in the case of a GS, this includes the scope of the GS either in terms of distance from the destination airport or based on pre-defined airspace sectors. Here, scope refers to those regions and departing airports that are subject to the GS. In this paper, we concentrate on the issuance of GSs in the three major airports in the New York area — LaGuardia(LGA), John F. Kennedy International (JFK), and Newark Liberty International (EWR). We fuse traffic, weather and other relevant aviation data from years 2017 to 2019 to train and validate the ML models. In particular, we use the following datasets: •Terminal Aerodrome Forecast (TAF): meteorological forecasts specific to each airport, issued four times a day, covering predefined time periods. •TMI data: includes all GSs and GDPs along with their respective parameters. •Aviation System Performance Metrics (ASPM): includes traffic related data such as aircraft delays, arrival, and departure rates. •Notices to Airmen (NOTAMs): utilized to extract runway closure data and manage interdependencies between terminals in close proximity. •Flight cancellation data •Airspace Flow Programs (AFP): includes information on flight airborne holdings caused by TMIs. The data preprocessing entails transforming ASPM, TMI, AFP, NOTAMs, and weather data into an hourly format and consolidating all datasets by merging them based on date and time as the primary key. The TMI Adjuster framework comprises two parallel models: one dedicated to GS and a second model focused on GDP. As previously mentioned, our specific focus is on the GS model as a multi-classification problem. In this framework, each data point of the GS model input summarizes ten hours of data. Specifically, the data loader for the GS model generates the input and output of the model as follows: at a given time step, the input includes the actual traffic, weather, and TMI data from the two-hour window before the time step, alongside the weather forecast and scheduled traffic for the next 8 hours starting from the time step. Based on this information, the output of the GS model for each time interval consists of three dimensions. The first dimension represents a binary decision on whether there should be a GS in place for the next hour or not. The second dimension is related to the scope of the GS in the United States, and the third dimension is related to the scope of the GS in Canada (i.e., to determine if the GS impacts airports in Canada).One of the challenges with TMI modeling is the sparsity of TMI events, particularly regarding its scope. To address this challenge in the scope of the GS model output, we implement grouping. The GS scope for the US region is defined based on a list of centers that should be included when the GS is in place. With 20 centers in the US, we utilized historical data to group them into 4 categories. In particular, we summarized our historical data in a graph format where nodes represent centers, and link weights are defined based on the co-occurrence of centers in the scope parameter ofTMIs. By identified strongly connected components in this graph, we were able to partition the centers into four groups. We consider two model structures for the GS Model. Firstly, a hierarchical classification model [10], where the human decision-making for a GS is of hierarchical nature. The decision-maker first decides whether there is a need fora GS, and if the answer is yes, determines the scope. A hierarchical classification model organizes the problem into a class hierarchy, typically a tree or a Directed Acyclic Graph (DAG) structure, and considers the dependency of the decision in the previous step to the next component [10]. Here, we employ the local classifier per level approach, which involves training one multi-class classifier for each level of the class hierarchy. The second structure is the independent structure. In this setting, as the name suggests, we do not consider the dependency of the decisions in the different dimensions of the output of the model. Instead, for each dimension, we train a multi-class classifier independently. Table 1 summarizes GS model statistics for training, validation and testing. The table documents the effect of limiting data to the time steps when there was actually a TMI in place or when a TMI had just terminated. This resulted in a more balanced distribution of the GS class(GS positive class)versus “No GS”(GS negative class), which might help the training process. While JFK and LGA follow very similar distributions, with 40% and 42% GS positive class respectively, EWR has proportionally fewer GS incidents at 28%. Our subsequent phase involves evaluating the performance of both hierarchical structure and independent structure using different state-of-the-art multi-class classifier models such as Random Forest, Decision Trees, K-nearest Neighbors, and Logistic Regression and forecast the duration and scope of the GSs.

Farzan Masrour Shalmani↗

What Determines the Response: Test or Reference?

The stability of sensory memory has been studied by presenting a reference stimulus, a delay, and a test stimulus. As has been pointed out by Lages and Treisman (1998 Vision Research 38 557-572), the usual measure of performance depends only on the effect of test variations on the responses. The Weber fraction characterizing performance is more properly called the test stimulus Weber fraction. We measure the relative contribution of the test and reference to the response by the ratio of the test Weber fraction to the reference Weber fraction. The stimuli were two dark lines on a bright background. Seven reference separations, varying from 9.5 to 16.7 arc min, were intermixed in each run. Interstimulus intervals (ISI) of 50, 200 and 2000 msec and intertrial intervals (ITI) of 500 and 2500 msec were investigated. When the ISI was short (50 or 200 msec), for both ITIs, responses were determined equally by the test and reference. For the long ISI (2000 msec), the reference stimulus contributed less. However, only for the 500 msec ITI (and not for all observers) was the contribution of the reference stimulus negligible, as Treisman's criterion setting theory might suggest.

Chukova, S. V.↗

Simulation and Measurement of Stray Light in the CLASP

We are planning an international rocket experiment Chromospheric Lyman-Alpha Spectro-Polarimeter (CLASP) is (2015 planned) that Lyman Alpha line polarization spectroscopic observations from the sun. The purpose of this experiment, detected with high accuracy of the linear polarization of the Ly􀉲 lines to 0.1% by using a Hanle effect is to measure the magnetic field of the chromosphere-transition layer directly. For total flux of the sun visible light overwhelmingly larger and about 200 000 times the Ly􀉲 line wavelength region, also hinder to 0.1% of the polarization photometric accuracy achieved in the stray light of slight visible light. Therefore we were first carried out using the illumination design analysis software called stray light simulation CLASP Light Tools. Feature of this simulation, using optical design file (ZEMAX format) and structural design file (STEP format), to reproduce realistic CLASP as possible to calculate machine is that it was stray study. And, at the stage in the actual equipment that made the provisional set of CLASP, actually put sunlight into CLASP using coelostat of National Astronomical Observatory of Japan, was subjected to measurement of stray light (San test). Pattern was not observed in the simulation is observed in the stray light measurement results need arise that measures. However, thanks to the stray light measurement and simulation was performed by adding, it was found this pattern is due to the diffracted light at the slit. Currently, the simulation results is where you have taken steps to reference. In this presentation, we report the stray light simulation and stray light measurement results that we have implemented

CLASP↗

A discontinuous piecewise polynomial generalized moving least squares scheme for robust finite element analysis on arbitrary grids

A variational approach is developed with a meshless discretization to enable accurate and robust numerical simulation of partial differential equations for meshes that are of poor quality. Traditional finite element methods use the mesh to both discretize the geometric domain and to define the finite element shape functions. The latter creates a dependence between the quality of the mesh and the properties of the finite element basis that may adversely affect the accuracy of the discretized problem. Here, we propose a new approach for defining finite element shape functions that breaks this dependence and separates mesh quality from the discretization quality, which we call discontinuous piecewise polynomial generalized moving least squares (DPP-GMLS). At the core of the approach is a meshless definition of the shape functions, which limits the purpose of the mesh to representing the geometric domain and integrating the basis functions without having any role in their approximation quality. The resulting non-conforming space can be utilized within a standard discontinuous Galerkin framework, providing a rigorous foundation for solving partial differential equations on low-quality meshes. We present a collection of numerical experiments demonstrating our approach in a wide range of settings: strongly coercive elliptic problems, linear elasticity in the compressible regime, and the stationary Stokes problem. We demonstrate convergence for all problems and stability for element pairs for problems which usually require inf-sup compatibility for conforming methods, also referring to a minor modification possible through the symmetric interior penalty Galerkin framework for stabilizing element pairs that would otherwise be traditionally unstable. Mesh robustness is particularly critical for elasticity, and we provide an example that our approach provides a greater than 5 x improvement in accuracy and allows for taking an 8 x larger stable timestep for a highly deformed mesh, compared to the continuous Galerkin finite element method.

97 MATHEMATICS AND COMPUTING↗

Virtual Microscope Views of the Apollo 11 and 12 Lunar Samples

The Apollo virtual microscope is a means of viewing, over the Internet, polished thin sections of every rock in the Apollo lunar sample collections via software, duplicating many of the functions of a petrological microscope, is described. Images from the Apollo 11 and 12 missions may be viewed at: www.virtualmicroscope.org/content/apollo. Introduction: During the six NASA missions to the Moon from 1969-72 a total of 382 kilograms of rocks and soils, often referred to as "the legacy of Apollo", were collected and returned to Earth. A unique collection of polished thin sections (PTSs) was made from over 400 rocks by the Lunar Sample Curatorial Facility at the Johnson Spacecraft Center (JSC), Houston. These materials have been available for loan to approved PIs but of course they can't be simultaneously investigated by several researchers unless they are co-located or the sample is passed back and forward between them by mail/hand carrying which is inefficient and very risky for irreplaceable material. When The Open University (OU), the world's largest Distance Learning Higher Education Establishment found itself facing a comparable problem (how to supply thousands of undergraduate students with an interactive petrological microscope and a personal set of thin sections), it decided to develop a software tool called the Virtual Microscope (VM). As a result it is now able to make the unique and precious collection of Apollo specimens universally available as a resource for concurrent study by anybody in the world's Earth and Planetary Sciences community. Herein, we describe the first steps of a collaborative project between OU and the Johnson Space Center (JSC) Curatorial Facility to record a PTS for every lunar rock, beginning with those collected by the Apollo 11 and 12 missions. Method: Production of a virtual microscope dedicated to a particular theme divides into four main parts - photography, image processing, building and assembly of virtual microscope components, and publication on a website. Two large research quality microscopes are used to collect all the images required for a virtual microscope. The first is part of an integrated package that utilizes Leica PowerMosaic software and a motorised XYZ stage to generate large area mosaics. It includes a fast acquisition camera and depending on the PTS size normally is used to produce seamless mosaic images consisting of 100-500 individual photographs. If the sample is suitable, three mosaics of each sample are recorded - plane polarised light, between crossed polars and reflected light. In order for the VM to be a true petrological microscope it is necessary to recreate the features of a rotating stage and perform observations using filters to produce polarised light. Thus the petrological VM includes the capability of seeing changes in optical properties (pleochroism and birefringence) during rotation allowing mineral identification. The second microscope in the system provides the functions of the rotating stage. To this microscope we have added a robotically controlled motor to acquire seventy-two images (5 degree intervals) in plane polarised light and between crossed polars. To process the images acquired from the two microscopes involves a combination of proprietary software (Photoshop) and our own in-house code. The final stage involves assembling all the components in an HTML5 environment. Pathfinder investigations: We have undertaken a number of pilot studies to demonstrate the efficacy of the petrological microscope with lunar samples. The first was to make available on-line images collected from the Educational Package of Apollo samples provided by NASA to the UK STFC (Science and Technical Facilities Council) for loan as educational material e.g. for schools. The real PTSs of the samples are now no longer sent out to schools removing the risks associated with transport, accidental breakage and eliminating the possibility of loss. The availability of lunar sample VM-related material was further extended to include twenty-eight specimens from all of the Apollo missions. Some of these samples were made more generally available through an ibook entitled "Moon Rocks: an introduction to the Geology of the Moon," free from the Apple Bookstore. Research possibilities: Although the Virtual Microscope was originally conceived as a teaching aid and was later recognised as a means of public outreach and engagement, we now realize that it also has enormous potential as a high level research tool. Following discussions with the JSC Curators we have received Curation and Analysis Planning Team for Extraterrestrial Materials (CAPTEM) permission to embark on a programme of digitizing the entire lunar sample PTS collection for all three of the above purposes. By the time of the 47th Lunar and Planetary Science Conference (LPSC) we will have completed 81 rocks collected during the Apollo 11 and 12 missions and the data, with cross-links to the Lunar Sample Compendium will go live on the Web at the 47th LPSC. The VM images of the Apollo 11 (41 VM images) and 12 (40 VM images) missions can be viewed at: http:/www.virtualmicroscope.org/content/apollo. The lunar sample VM will enable large numbers of skilled/unskilled microscopists (professional and amateur researchers, educators and students, enthusiasts and the simply curious non-scientists) to share the information from a single sample. It will mean that all the PTSs already cut, even historical ones, could be available for new joint investigations or private study. The scientific return from the collection will increase exponentially as a result of further debate and discussion. Simultaneously the VM will remove the need for making unnecessary multiple samplings, avoid consignment of delicate/breakable specimens (all of which are priceless) to insecure mail/courier services and reduce direct labour and indirect costs, travel budgets and unproductive travelling time necessary for co-location of collaborating researchers. For the future we have already recognized further potential for virtual technology. There is nothing that a petrologist likes more than to see the original rock as a hand specimen. It is entirely possible to recreate virtual hand specimens with 3-D hard and software, already developed for viewing fossils, located within the Curatorial Facility, http://curator.jsc.nasa.gov/lunar/lsc/index.cfm.

Gibson, E. K.↗