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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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Phasor-Measurement-Unit-Based Data Analytics Using Digital Twin and PhasorAnalytics Software

A major objective of this project was to apply GE’s commercial machine learning and data analytics toolsets to large-scale, real-world, anonymized Phasor Measurement Unit (PMU) datasets in order to extract signatures, correlated and/or causal factors, and precursor patterns associated with significant power system phenomena. The project had a particular emphasis on extraction of insights relevant to asset health monitoring, real-time load modeling and cybersecurity monitoring. Additionally, the team was directed to undertake a comprehensive data quality analysis for the provided datasets and encouraged to estimate the ‘machine-learning readiness’ of the datasets by documenting any major obstacles to the application of commercial machine learning algorithms. To accomplish the aforementioned objectives, the project team’s work centered around the identification of key event signatures and application of the identified event signatures for event detection and event classification. The industry-validated, semi-supervised machine learning strategy employed for event signature identification involved several major tasks, including data-preprocessing, generation of an overabundance of features, normal data identification, normality modeling, and event signature identification through a methodical, quantitative ranking of features in order of relevance to each studied event type. Throughout the project, data quality issues and mitigation techniques were investigated. In this report, insights are provided regarding the readiness of the provided synchrophasor datasets for application of machine learning and data analytics. The methodologies employed for this technical strategy are summarized in this report. With regards to data preprocessing and feature generation, the provided Training and Test Datasets were ingested into GE’s big data environment. Subsequently, the team applied bad data cleansing and data imputation scripts, event detection scripts, and application programming interfaces (APIs) to the datasets for convenient data access. The project team completed development and validation of dozens of physics-based, statistics-based and transformation-based feature functions used for the extraction of over 60 synchrophasor features. Using a new parallel feature generation technology developed on this project, over 60 features have been rapidly generated for the full two years’ worth of Training and Test Dataset data associated with both the Eastern and Western interconnects. Even accommodating for temporal down-sampling inherent to the feature extraction procedure, this parallel feature generation activity resulted in a massive feature set with a storage requirement approximately equal to that of the raw training dataset itself. With regards to normal data identification and normality modeling, a normality model was built using the feature data extracted from the Training Dataset and iteratively refined subsequent to incremental adjustments and expansions of the Training Dataset feature data. With respect to event characterization and signature identification, an event signature identification pipeline was developed and used in conjunction with the normality model to identify over 15 event signatures for key event categories within the Training Dataset. The identified event signatures were used to characterize hundreds of key events in terms of relative severity, duration, and location of the event. An investigation was undertaken to identify correlated and causal factors involved in transformer events. A separate investigation into temporal trends in ring-down analysis results was undertaken to determine possible associations between system dynamics and various other factors such as loading, season or year. To validate the identified event signatures, additional work was undertaken to develop signature-based anomaly detection and classification tools suitable for convenient application to the synchrophasor datasets. The anomaly detection and classification tools, suitable for online application, were then applied to the entirety of the Eastern Interconnect Training and Test Datasets. Performance of the event detection and classification tools was evaluated upon receipt of the Test Dataset event logs (i.e., the labels for events contained in the Test Dataset), and promising results were obtained despite several challenges (documented herein) associated with application of supervised or semi-supervised machine learning methods to large-scale, anonymized datasets. Finally, the detection and classification tools were used to detect, classify, and characterize thousands of new events not included in the original event logs provided by the DOE within both the Training and Test Datasets.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Video Mosaicking for Inspection of Gas Pipelines

A vision system that includes a specially designed video camera and an image-data-processing computer is under development as a prototype of robotic systems for visual inspection of the interior surfaces of pipes and especially of gas pipelines. The system is capable of providing both forward views and mosaicked radial views that can be displayed in real time or after inspection. To avoid the complexities associated with moving parts and to provide simultaneous forward and radial views, the video camera is equipped with a wide-angle (>165 ) fish-eye lens aimed along the axis of a pipe to be inspected. Nine white-light-emitting diodes (LEDs) placed just outside the field of view of the lens (see Figure 1) provide ample diffuse illumination for a high-contrast image of the interior pipe wall. The video camera contains a 2/3-in. (1.7-cm) charge-coupled-device (CCD) photodetector array and functions according to the National Television Standards Committee (NTSC) standard. The video output of the camera is sent to an off-the-shelf video capture board (frame grabber) by use of a peripheral component interconnect (PCI) interface in the computer, which is of the 400-MHz, Pentium II (or equivalent) class. Prior video-mosaicking techniques are applicable to narrow-field-of-view (low-distortion) images of evenly illuminated, relatively flat surfaces viewed along approximately perpendicular lines by cameras that do not rotate and that move approximately parallel to the viewed surfaces. One such technique for real-time creation of mosaic images of the ocean floor involves the use of visual correspondences based on area correlation, during both the acquisition of separate images of adjacent areas and the consolidation (equivalently, integration) of the separate images into a mosaic image, in order to insure that there are no gaps in the mosaic image. The data-processing technique used for mosaicking in the present system also involves area correlation, but with several notable differences: Because the wide-angle lens introduces considerable distortion, the image data must be processed to effectively unwarp the images (see Figure 2). The computer executes special software that includes an unwarping algorithm that takes explicit account of the cylindrical pipe geometry. To reduce the processing time needed for unwarping, parameters of the geometric mapping between the circular view of a fisheye lens and pipe wall are determined in advance from calibration images and compiled into an electronic lookup table. The software incorporates the assumption that the optical axis of the camera is parallel (rather than perpendicular) to the direction of motion of the camera. The software also compensates for the decrease in illumination with distance from the ring of LEDs.

Magruder, Darby↗

Preliminary results in using Deep Learning to emulate BLOB, a nuclear interaction model

Purpose: A reliable model to simulate nuclear interactions is fundamental for Ion-therapy. We already showed how BLOB (“Boltzmann-Langevin One Body”), a model developed to simulate heavy ion interactions up to few hundreds of MeV/u, could simulate also 12 C reactions in the same energy domain. However, its computation time is too long for any medical application. For this reason we present the possibility of emulating it with a Deep Learning algorithm. Methods: The BLOB final state is a Probability Density Function (PDF) of finding a nucleon in a position of the phase space. We discretised this PDF and trained a Variational Auto-Encoder (VAE) to reproduce such a discrete PDF. As a proof of concept, we developed and trained a VAE to emulate BLOB in simulating the interactions of 12 C with 12 C at 62 MeV/u. To have more control on the generation, we forced the VAE latent space to be organised with respect to the impact parameter (b) training a classifier of b jointly with the VAE. Results: In this work, the distributions obtained from the VAE are similar to the input ones and the computation time needed to use the VAE as a generator is negligible. Conclusions: We show that it is possible to use a Deep Learning approach to emulate a model developed to simulate nuclear reactions in the energy range of interest for Ion-therapy. We foresee the implementation of the generation part in C++ and to interface it with the most used Monte Carlo toolkit: Geant4.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Software for Simulating Air Traffic

Future Air Traffic Management Concepts Evaluation Tool (FACET) is a system of software for performing computational simulations for evaluating advanced concepts of advanced air-traffic management. FACET includes a program that generates a graphical user interface plus programs and databases that implement computational models of weather, airspace, airports, navigation aids, aircraft performance, and aircraft trajectories. Examples of concepts studied by use of FACET include aircraft self-separation for free flight; prediction of air-traffic-controller workload; decision support for direct routing; integration of spacecraft-launch operations into the U.S. national airspace system; and traffic- flow-management using rerouting, metering, and ground delays. Aircraft can be modeled as flying along either flight-plan routes or great-circle routes as they climb, cruise, and descend according to their individual performance models. The FACET software is modular and is written in the Java and C programming languages. The architecture of FACET strikes a balance between flexibility and fidelity; as a consequence, FACET can be used to model systemwide airspace operations over the contiguous U.S., involving as many as 10,000 aircraft, all on a single desktop or laptop computer running any of a variety of operating systems. Two notable applications of FACET include: (1) reroute conformance monitoring algorithms that have been implemented in one of the Federal Aviation Administration s nationally deployed, real-time, operational systems; and (2) the licensing and integration of FACET with the commercially available Flight Explorer, which is an Internet- based, real-time flight-tracking system.

Sridhar, Banavar↗

Evolution of the Earth Observing System (EOS) Data and Information System (EOSDIS)

One of the strategic goals of the U.S. National Aeronautics and Space Administration (NASA) is to "Develop a balanced overall program of science, exploration, and aeronautics consistent with the redirection of the human spaceflight program to focus on exploration". An important sub-goal of this goal is to "Study Earth from space to advance scientific understanding and meet societal needs." NASA meets this subgoal in partnership with other U.S. agencies and international organizations through its Earth science program. A major component of NASA s Earth science program is the Earth Observing System (EOS). The EOS program was started in 1990 with the primary purpose of modeling global climate change. This program consists of a set of space-borne instruments, science teams, and a data system. The instruments are designed to obtain highly accurate, frequent and global measurements of geophysical properties of land, oceans and atmosphere. The science teams are responsible for designing the instruments as well as scientific algorithms to derive information from the instrument measurements. The data system, called the EOS Data and Information System (EOSDIS), produces data products using those algorithms as well as archives and distributes such products. The first of the EOS instruments were launched in November 1997 on the Japanese satellite called the Tropical Rainfall Measuring Mission (TRMM) and the last, on the U.S. satellite Aura, were launched in July 2004. The instrument science teams have been active since the inception of the program in 1990 and have participation from Brazil, Canada, France, Japan, Netherlands, United Kingdom and U.S. The development of EOSDIS was initiated in 1990, and this data system has been serving the user community since 1994. The purpose of this chapter is to discuss the history and evolution of EOSDIS since its beginnings to the present and indicate how it continues to evolve into the future. this chapter is organized as follows. Sect. 7.2 provides a discussion of EOSDIS, its elements and their functions. Sect. 7.3 provides details regarding the move towards more distributed systems for supporting both the core and community needs to be served by NASA Earth science data systems. Sect. 7.4 discusses the use of standards and interfaces and their importance in EOSDIS. Sect. 7.5 provides details about the EOSDIS Evolution Study. Sect. 7.6 presents the implementation of the EOSDIS Evolution plan. Sect. 7.7 briefly outlines the progress that the implementation has made towards the 2015 Vision, followed by a summary in Sect. 7.8.

Ramapriyan, Hampapuram K.↗

CP2K: An Electronic Structure and Molecular Dynamics Software Package - Quickstep: Efficient and Accurate Electronic Structure Calculations

CP2K is an open source electronic structure and molecular dynamics software package to perform atomistic simulations of solid-state, liquid, molecular and biological systems. It is especially aimed at massively-parallel and linear-scaling electronic structure methods and state-of-the-art ab-initio molecular dynamics simulations. Excellent performance for electronic structure calculations is achieved using novel algorithms implemented for modern high-performance computing systems. This review revisits the main capabilities of CP2K to perform efficient and accurate electronic structure simulations. The emphasis is put on density functional theory and multiple post-Hartree-Fock methods using the Gaussian and plane wave approach and its augmented all-electron extension. TDK has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (grant agreement No. 716142). VRR has been supported by the Swiss National Science Foundation in the form of Ambizione grant No. PZ00P2 174227 and RZK by the Natural Sciences and Engineering Research Council of Canada (NSERC) through Discovery Grants (RGPIN-2016-0505). GKS and CJM are supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. UK based work was funded under the embedded CSE programme of the ARCHER UK National Supercomputing Service (http://www.archer.ac.uk), grants eCSE03-011, eCSE06-6, eCSE08-9, eCSE13-17 and the EPSRC (EP/P022235/1) grant “Surface and Interface Toolkit for the Materials Chemistry Community". Computational resources were provided by the Swiss National Supercomputing Centre (CSCS) and Compute Canada. The generous allocation of computing time on the FPGA-based supercomputer “Noctua" at PC2 is kindly acknowledged.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Development and Validation of a Conjugate Heat Transfer Model for the Two-Phase CFD Code NEK-2P

A project is underway to develop, verify and validate an advanced two-phase flow modeling capability for the highly-scalable, high-performance CFD code NEK5000. The goal of the project is to develop a new two-phase version of the NEK5000 code, named NEK-2P, to simulate the two-phase flow and heat transfer phenomena that occur in a Boiling Water Reactor (BWR) fuel bundle under various operating conditions. The NEK-2P two-phase flow models follow the approach used for the Extended Boiling Framework (EBF) [2-3] previously developed at Argonne, but include more fundamental physical models of boiling phenomena and advanced numerical algorithms for improved computational accuracy, robustness, and computational speed. The development of the NEK-2P two-phase solver and the implementation of the Extended Boiling Framework two-phase models were initially supported by Argonne National Laboratory (Argonne) through a Laboratory Directed Research and Development (LDRD) project during FY2014-2016. The development and validation of the two-phase models through analyses of selected two-phase boiling flow experiments was supported by the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program in FY2017-2019. This report focuses on the FY2019 development and validation of the Conjugate Heat Transfer (CHT) model for the NEK-2P Two-Phase, Computational Fluid Dynamics (CFD) code. The NEK-2P CHT model calculates the coupled behavior of the fluid and solid domains. In the fluid domain NEK-2P calculates the vapor and liquid phase temperatures, velocities and mass fractions. In the solid domain only the temperatures are calculated. The fluid and solid domains are coupled with a heat flux boundary condition at the fluid-solid interface. The heat flux and the wall temperatures at the fluid-solid interface are updated using the NEK-2P wall heat-flux partitioning model. A wall heat flux boundary condition is also applied to the exterior surface of the solid domain. The CHT model validation was illustrated through the analysis of three of the Becker Critical Heat Flux (CHF) tests. Reasonably good agreement with measured data was obtained in predicting the CHF location and post CHF wall temperature behavior illustrating the ability of the NEK-2P CHT model to simulate the CHF phenomena for a wide range of thermal-hydraulic conditions. Apart from the CHT model development and validation, initial simulations were performed for the Virginia Tech. (VT) 3x3 bare rod bundle experiments including both cold and boiling flow simulations.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Adaptive clipping‐and‐redistribution algorithms for bounded and conservative high‐order interpolations applied to discontinuous and reactive flows

Abstract A new adaptive clipping‐and‐redistribution method is presented which provides bounds‐preservation for multidimensional interpolation in the context of high‐order finite‐volume discretizations with adaptive mesh refinement (AMR). The underlying finite‐volume method (FVM) for the computational fluid dynamics applications is fourth‐order accurate for smooth solutions and utilizes AMR for computational efficiency in solving multiscale problems involving turbulence and combustion. High‐order interpolation between different AMR levels is required. However, this operation often leads to numerical issues because combustion species must have physical bounds preserved. The present study overcomes two major challenges in the development of the high‐order interpolation method. First, the method needs to be bound‐preserving near extrema or discontinuities to prevent the emergence of unphysical oscillations while maintaining fourth‐order accuracy in smooth flows. Second, the method needs to satisfy the conservation requirement in multiple dimensions, particularly in the context of curvilinear coordinate transformations. Additionally, the method is designed to be localized and computationally inexpensive. The new interpolation scheme is demonstrated by solving reacting flows, which are extremely sensitive to unphysical overshoots in conserved quantities. The test problems are shock‐induced ‐ combustion and a ‐air flame in a practical bluff‐body combustor. Results show the method prevents new extrema near discontinuities while maintaining high‐order accuracy in smooth regions. In particular, the method is extremely beneficial for combustion with stiff chemistry. With the proposed new method, even if flame fronts cross AMR interfaces or new grids are created in the vicinity of the flame, solution stability is retained.

97 MATHEMATICS AND COMPUTING↗

Prototyping Operational Autonomy for Space Traffic Management

Current state of the art in Space Traffic Management (STM) relies on a handful of providers for surveillance and collision prediction, and manual coordination between operators. Neither is scalable to support the expected 10x increase in spacecraft population in less than 10 years, nor does it support automated manuever planning. We present a software prototype of an STM architecture based on open Application Programming Interfaces (APIs), drawing on previous work by NASA to develop an architecture for low-altitude Unmanned Aerial System Traffic Management. The STM architecture is designed to provide structure to the interactions between spacecraft operators, various regulatory bodies, and service suppliers, while maintaining flexibility of these interactions and the ability for new market participants to enter easily. Autonomy is an indispensable part of the proposed architecture in enabling efficient data sharing, coordination between STM participants and safe flight operations. Examples of autonomy within STM include syncing multiple non-authoritative catalogs of resident space objects, or determining which spacecraft maneuvers when preventing impending conjunctions between multiple spacecraft. The STM prototype is based on modern micro-service architecture adhering to OpenAPI standards and deployed in industry standard Docker containers, facilitating easy communication between different participants or services. The system architecture is designed to facilitate adding and replacing services with minimal disruption. We have implemented some example participant services (e.g. a space situational awareness provider/SSA, a conjunction assessment supplier/CAS, an automated maneuver advisor/AMA) within the prototype. Different services, with creative algorithms folded into then, can fulfil similar functional roles within the STM architecture by flexibly connecting to it using pre-defined APIs and data models, thereby lowering the barrier to entry of new players in the STM marketplace. We demonstrate the STM prototype on a multiple conjunction scenario with multiple maneuverable spacecraft, where an example CAS and AMA can recommend optimal maneuvers to the spacecraft operators, based on a predefined reward function. Such tools can intelligently search the space of potential collision avoidance maneuvers with varying parameters like lead time and propellant usage, optimize a customized reward function, and be implemented as a scheduling service within the STM architecture. The case study shows an example of autonomous maneuver planning is possible using the API-based framework. As satellite populations and predicted conjunctions increase, an STM architecture can facilitate seamless information exchange related to collision prediction and mitigation among various service applications on different platforms and servers. The availability of such an STM network also opens up new research topics on satellite maneuver planning, scheduling and negotiation across disjoint entities.

space traffic management↗

Fox Trails

1. This software utilizes python pandas to pull data from P6 databases or XER files. The software transforms the datasets into multiple main tables by joining, filtering, iteratively flattening hierarchical structured data, and pivoting datasets to give simple flat output tables. The activity table includes all of the information related to an activity including activity codes, global, EPS, and project codes, UDFs, and WBS information as separate columns. This includes the code id, code value and sequence number for all levels in hierarchical codes. The resource table is similar to the activity table and includes all of the information related to resources on activities including UPFs and resource codes. The resource time phased table takes the resource information and time phases it for the budget, forecast, late, and actual dates/units/costs that closely matches P6's user interface's values as it implements the resource curve and calendars. The wbs table contains the WBS structure broken out by levels and includes UDFs, codes, and notebook topics. The final P6 data table is the relationships table which simply contains the relationships. 2. When a user updates the tool with data (via giving it P6 project names with database username/password information or XER files) the system creates the data in #1, then creates a networkx graph with the activity data imbedded in the node data and the relationships added as edges. Each edge also has it's float calculated (working time distance between the predecessor and successor) and attached to the edge. Activities are also tagged as a potential start of a path based on their constraints, constraint dates, remaining start date, and activity status. When a user enters an activity ID into the UI, it runs a shortest path calculation on the network graph between each node tagged as potential start to the entered activity id based on the float tagged on the edge. Each path returned by the algorithm contains all of the nodes on the path in order, as well as the total float of the edges that make the path. This data is then collected and returned to the user in the form of a gantt chart with groupings for each path that includes the total float for each group. 3. Similar to 2, if the user passes through a reference dataset each activity set in the path is checked to see if it had a path in the reference dataset, if that path was the primary path between the start and end activities, and what has changed regarding logic and durations. These changes are color coded and summarized before sent to the user to be displayed by the UI for simple discovery. 4. Utilizing the data from #1, the user can submit desired grouping code(s) and filters to the system. The system will then pull the activities, resources, and relationships and create a gantt chart based on the groupings sent and filtered based on the filters sent. 5. The system will produce a gantt chart in a similar method to #4, but allows interactivity with the data. As the user interacts with the gantt chart, the software captures the changes and stores it with the user making the change so that project controls and implement those changes in P6.

Fox, Ben↗

Residual interference and wind tunnel wall adaption

Measured flow variables near the test section boundaries, used to guide adjustments of the walls in adaptive wind tunnels, can also be used to quantify the residual interference. Because of a finite number of wall control devices (jacks, plenum compartments), the finite test section length, and the approximation character of adaptation algorithms, the unconfined flow conditions are not expected to be precisely attained even in the fully adapted stage. The procedures for the evaluation of residual wall interference are essentially the same as those used for assessing the correction in conventional, non-adaptive wind tunnels. Depending upon the number of flow variables utilized, one can speak of one- or two-variable methods; in two dimensions also of Schwarz- or Cauchy-type methods. The one-variable methods use the measured static pressure and normal velocity at the test section boundary, but do not require any model representation. This is clearly of an advantage for adaptive wall test section, which are often relatively small with respect to the test model, and for the variety of complex flows commonly encountered in wind tunnel testing. For test sections with flexible walls the normal component of velocity is given by the shape of the wall, adjusted for the displacement effect of its boundary layer. For ventilated test section walls it has to be measured by the Calspan pipes, laser Doppler velocimetry, or other appropriate techniques. The interface discontinuity method, also described, is a genuine residual interference assessment technique. It is specific to adaptive wall wind tunnels, where the computation results for the fictitious flow in the exterior of the test section are provided.

Mokry, Miroslav↗

Some practical universal noiseless coding techniques, part 3, module PSl14,K+

The algorithmic definitions, performance characterizations, and application notes for a high-performance adaptive noiseless coding module are provided. Subsets of these algorithms are currently under development in custom very large scale integration (VLSI) at three NASA centers. The generality of coding algorithms recently reported is extended. The module incorporates a powerful adaptive noiseless coder for Standard Data Sources (i.e., sources whose symbols can be represented by uncorrelated non-negative integers, where smaller integers are more likely than the larger ones). Coders can be specified to provide performance close to the data entropy over any desired dynamic range (of entropy) above 0.75 bit/sample. This is accomplished by adaptively choosing the best of many efficient variable-length coding options to use on each short block of data (e.g., 16 samples) All code options used for entropies above 1.5 bits/sample are 'Huffman Equivalent', but they require no table lookups to implement. The coding can be performed directly on data that have been preprocessed to exhibit the characteristics of a standard source. Alternatively, a built-in predictive preprocessor can be used where applicable. This built-in preprocessor includes the familiar 1-D predictor followed by a function that maps the prediction error sequences into the desired standard form. Additionally, an external prediction can be substituted if desired. A broad range of issues dealing with the interface between the coding module and the data systems it might serve are further addressed. These issues include: multidimensional prediction, archival access, sensor noise, rate control, code rate improvements outside the module, and the optimality of certain internal code options.

Rice, Robert F.↗

Matlab GUI for a Fluid Mixer

The Test and Engineering Directorate at NASA John C. Stennis Space Center developed an interest to study the modeling, evaluation, and control of a liquid hydrogen (LH2) and gas hydrogen (GH2) mixer subsystem of a ground test facility. This facility carries out comprehensive ground-based testing and certification of liquid rocket engines including the Space Shuttle Main engine. A software simulation environment developed in MATLAB/SIMULINK (M/S) will allow NASA engineers to test rocket engine systems at relatively no cost. In the progress report submitted in February 2004, we described the development of two foundation programs, a reverse look-up application using various interpolation algorithms, a variety of search and return methods, and self-checking methods to reduce the error in returned search results to increase the functionality of the program. The results showed that these efforts were successful. To transfer this technology to engineers who are not familiar with the M/S environment, a four-module GUI was implemented allowing the user to evaluate the mixer model under open-loop and closed-loop conditions. The progress report was based on an udergraduate Honors Thesis by Ms. Jamie Granger Austin in the Department of Electrical Engineering and Computer Science at Tulane University, during January-May 2003, and her continued efforts during August-December 2003. In collaboration with Dr. Hanz Richter and Dr. Fernando Figueroa we published these results in a NASA Tech Brief due to appear this year. Although the original proposal in 2003 did not address other components of the test facility, we decided in the last few months to extend our research and consider a related pressurization tank component as well. This report summarizes the results obtained towards a Graphical User Interface (GUI) for the evaluation and control of the hydrogen mixer subsystem model and for the pressurization tank each taken individually. Further research would combine the two components - mixer and tank, for a more realistic simulation tool.

Barbieri, Enrique↗

PAMTRA 1.0: the Passive and Active Microwave radiative TRAnsfer tool for simulating radiometer and radar measurements of the cloudy atmosphere

Forward models are a key tool to generate synthetic observations given knowledge of the atmospheric state. In this way, they are an integral part of inversion algorithms that aim to retrieve geophysical variables from observations or in data assimilation. Their application for the exploitation of the full information content of remote sensing observations becomes increasingly important when these are used to evaluate the performance of cloud-resolving models (CRMs). Herein, CRM profiles or fields provide the input to the forward model whose simulation results are subsequently compared to the observations. This paper introduces the freely available comprehensive microwave forward model PAMTRA (Passive and Active Microwave TRAnsfer), demonstrates its capabilities to simulate passive and active measurements across the microwave spectral region for upward- and downward-looking geometries, and illustrates how the forward simulations can be used to evaluate CRMs and to interpret measurements to improve our understanding of cloud processes. PAMTRA is unique as it treats passive and active radiative transfer (RT) in a consistent way with the passive forward model providing upwelling and downwelling polarized brightness temperatures and radiances for arbitrary observation angles. The active part is capable of simulating the full radar Doppler spectrum and its moments. PAMTRA is designed to be flexible with respect to instrument specifications and interfaces to many different formats of input and output, especially CRMs, spanning the range from bin-resolved microphysical output to one- and two-moment schemes, and to in situ measured hydrometeor properties. A specific highlight is the incorporation of the self-similar Rayleigh–Gans approximation (SSRGA) for both active and passive applications, which becomes especially important for the investigation of frozen hydrometeors.

54 ENVIRONMENTAL SCIENCES↗

HYMOSS signal processing for pushbroom spectral imaging

The objective of the Pushbroom Spectral Imaging Program was to develop on-focal plane electronics which compensate for detector array non-uniformities. The approach taken was to implement a simple two point calibration algorithm on focal plane which allows for offset and linear gain correction. The key on focal plane features which made this technique feasible was the use of a high quality transimpedance amplifier (TIA) and an analog-to-digital converter for each detector channel. Gain compensation is accomplished by varying the feedback capacitance of the integrate and dump TIA. Offset correction is performed by storing offsets in a special on focal plane offset register and digitally subtracting the offsets from the readout data during the multiplexing operation. A custom integrated circuit was designed, fabricated, and tested on this program which proved that nonuniformity compensated, analog-to-digital converting circuits may be used to read out infrared detectors. Irvine Sensors Corporation (ISC) successfully demonstrated the following innovative on-focal-plane functions that allow for correction of detector non-uniformities. Most of the circuit functions demonstrated on this program are finding their way onto future IC's because of their impact on reduced downstream processing, increased focal plane performance, simplified focal plane control, reduced number of dewar connections, as well as the noise immunity of a digital interface dewar. The potential commercial applications for this integrated circuit are primarily in imaging systems. These imaging systems may be used for: security monitoring systems, manufacturing process monitoring, robotics, and for spectral imaging when used in analytical instrumentation.

Ludwig, David E.↗

A Fast Vector Radiative Transfer Model for the Atmosphere-Ocean Coupled System

To infer atmospheric and oceanic constituent properties from polarimetric observations, an efficient and accurate retrieval algorithm is desirable. In-line radiative transfer calculations are indispensable if a large state vector, including both atmospheric profiles and surface properties, is used to improve retrieval accuracy. However, in-line radiative transfer calculations are usually not computationally efficient for remote sensing applications. Therefore, there is a pressing need to develop an accurate and fast vector radiative transfer model (RTM) to fully utilize satellite polarimetric observations. This paper reports on a fast vector RTM, referred to as TAMU-VRTM, in support of polarimetric remote sensing, which is capable of simulating the Stokes vector values observed at the top of the atmosphere and at the surface by fully considering absorption, scattering, and emission in the atmosphere and ocean. Gaseous absorption is parameterized with respect to gas concentration, temperature, and pressure, by using a regression method applicable to an inhomogeneous atmospheric path. An efficient two-component approach combining the small angle approximation and the adding-doubling method is utilized to solve the vector radiative transfer equation (RTE). The thermal emission component of the RTE solution is obtained by an efficient doubling process. The air-sea interface is treated as a wind-ruffled rough surface in the model to mimic a realistic ocean surface. Several oceanic optical property models are introduced to model ocean inherent optical properties. To demonstrate the applicability of the TAMUVRTM, simulations are compared with satellite observations, and results from other vector radiative transfer methods including benchmarks.

radiative transfer in coupled atmosphere-ocean sys↗

Early events in the folding of an amphipathic peptide: A multinanosecond molecular dynamics study

Folding of the capped LQQLLQQLLQL peptide is investigated at the water-hexane interface by molecular dynamics simulations for 161.5 ns. Initially placed in the aqueous phase as a beta-strand, the peptide rapidly adsorbs to the interface, where it adopts an amphipathic conformation. The marginal presence of nonamphipathic structures throughout the complete trajectory indicates that the corresponding conformations are strongly disfavored at the interface. It is further suggestive that folding in an interfacial environment proceeds through a pathway of successive amphipathic intermediates. The energetic and entropic penalties involved in the conformational changes along this pathway markedly increase the folding time scales of LQQLLQQLLQL, explaining why the alpha-helix, the hypothesized lowest free energy structure for a sequence with a hydrophobic periodicity of 3.6, has not been reached yet. The formation of a type I beta-turn at the end of the simulation confirms the importance of such motifs as initiation sites allowing the peptide to coalesce towards a secondary structure. Proteins 1999;36:383-399. Copyright 1999 Wiley-Liss, Inc.

NASA Center ARC↗

A consistent and conservative volume distribution algorithm and its applications to multiphase flows using Phase-Field models

In the present study, the multiphase volume distribution problem, where there can be an arbitrary number of phases, is addressed using a consistent and conservative volume distribution algorithm. The proposed algorithm satisfies the summation constraint, the conservation constraint, and the consistency of reduction. The first application of the volume distribution algorithm is to determine the Lagrange multipliers in multiphase Phase-Field models that enforce the mass conservation, and a multiphase conservative Allen-Cahn model that satisfies the consistency of reduction is developed. A corresponding consistent and conservative numerical scheme is developed for the model. The multiphase conservative Allen-Cahn model has a better ability than the multiphase Cahn-Hilliard model to preserve under-resolved structures. The second application is to develop a numerical procedure, called the boundedness mapping, to map the order parameters, obtained numerically from a multiphase model, into their physical interval, and at the same time to preserve the physical properties of the order parameters. Along with the consistent and conservative schemes for the multiphase Phase-Field models, the numerical solutions of the order parameters are reduction consistent, conservative, and bounded, which are theoretically analyzed and numerically validated. Then, the multiphase Phase-Field models are coupled with the momentum equation by satisfying the consistency of mass conservation and the consistency of mass and momentum transport, thanks to the consistent formulation. Finally, it is demonstrated that the proposed model and scheme converge to the sharp-interface solution and are capable of capturing the complicated multiphase dynamics even when there is a large density and/or viscosity ratio.

42 ENGINEERING↗