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NASA NTRSDate not supplied

Ramdb: The NASA Raman Spectral Database (version 1.00).

Given that, in most instances, minimal sample preparation is required and due to its contactless instrument design, Raman spectroscopy is one of the most versatile vibrational spectroscopic techniques for the chemical analysis of environmental and biological specimens. The diversity of applications of Raman spectroscopy ranges anywhere from art [1] to planetary science missions [2]. The advancement in the use of Raman spectroscopy in Solar System missions, notably in post-mission sample return analysis, requires a spectral library holding the broad range of specimens that could be found in Solar System sources. For this purpose, we have initiated the development of a Raman spectral database (Ramdb) at NASA Ames Research Center. Currently, the database includes experimental and theoretical Raman spectra of PAHs [3, 4], as well as laboratory Raman spectra of amino acids, carbon allotropes, minerals, and analogs relevance to Earth Sciences [5], Exobiology [6], Planetary [7], and Astrochemistry [8] to name just a few examples. Ramdb can be found on the web at www.astrochemistry.org/ramdb, where raw and processed Raman spectra can be downloaded in CSV format. The laboratory Raman spectra are measured using a laser Raman spectrometer (JASCO NRS-5500-532QRI). The Raman instrument is equipped with three excitation lasers, with wavelengths of 405, 532, and 785 nm. A clean silicon substrate is used as the internal standard for wavenumber calibration. Powdered samples were prepared (microscopic >10 um, grounded microscopic < 10 um) on glass slides. Some raw data exhibited a background signal arising as a combination of laser-induced fluorescence from the sample. To correct this background, we developed a Python pipeline that uses open-source Python libraries. Ramdb provides both raw and processed (using Python pipeline) data, which includes tabulated Raman shift transitions and other measurement details. The theoretical Raman band positions of PAHs (pyrene monomers and tetramer clusters) were computed using density functional theory (DFT) with the help of the Gaussian 16 suite of programs [9]. In the near future, Ramdb will serve as a repository of Raman spectral data from Laboratory Astrophysics and Planetary Science experiments involving the irradiation of organic compounds under simulated space and planetary conditions. In addition, online and offline tools will be developed for utilising the database for comparison to the user’s sample.

N Punnakayathil↗

NASA NTRS2013

Open Vehicle Sketch Pad Aircraft Modeling Strategies

Geometric modeling of aircraft during the Conceptual design phase is very different from that needed for the Preliminary or Detailed design phases. The Conceptual design phase is characterized by the rapid, multi-disciplinary analysis of many design variables by a small engineering team. The designer must walk a line between fidelity and productivity, picking tools and methods with the appropriate balance of characteristics to achieve the goals of the study, while staying within the available resources. Identifying geometric details that are important, and those that are not, is critical to making modeling and methodology choices. This is true for both the low-order analysis methods traditionally used in Conceptual design as well as the highest-order analyses available. This paper will highlight some of Conceptual design's characteristics that drive the designer s choices as well as modeling examples for several aircraft configurations using the open source version of the Vehicle Sketch Pad (Open VSP) aircraft Conceptual design geometry modeler.

Hahn, Andrew S.↗

NASA NTRSDate not supplied

Earth System Digital Twins (ESDT) Technology for NASA Earth Science

For NASA's Advanced Information Systems Technology (AIST) Program, an Earth System Digital Twin (ESDT) is defined as an interactive and integrated multidomain, multiscale, digital replica of the state and temporal evolution of Earth systems. It dynamically integrates: relevant Earth system models and simulations; other relevant models (e.g., related to the world's infrastructure); continuous and timely (including near real time and direct readout) observations (e.g., space, air, ground, over/underwater, Internet of Things (IoT), socioeconomic); long-time records; as well as analytics and artificial intelligence tools. Effective ESDTs enable users to run hypothetical scenarios to improve the understanding, prediction of and mitigation/response to Earth system processes, natural phenomena and human activities as well as their many interactions. An ESDT is a type of integrated information system that, for example, enables continuous assessment of impact from naturally occurring and/or human activities on physical and natural environments. AIST ESDT strategic goals are to: 1. Develop information system frameworks to provide continuous and accurate representations of systems as they change over time; 2. Mirror various Earth Science systems and utilize the combination of Data Analytics, Artificial Intelligence, Digital Thread, and state-of-the-art models to help predict the Earth’s response to various phenomena; 3. Provide the tools to conduct "what if" investigations that can result in actionable predictions. The AIST ESDT thrust is developing capabilities toward the development of future digital twins of the Earth or of subcomponents of the Earth. This will enable the development of an overarching framework that will integrate New Observing Strategies (NOS) to enable new observation measurements, i.e., multi-source, coordinated, dynamic and responsive to needs and requests defined by Analytic Collaborative Frameworks (ACF) that enable agile science investigations fusing and analyzing very large amounts of diverse data. NOS and ACF capabilities along with open access to various science, infrastructure and human data, interconnected modeling, data assimilation, simulations, surrogate modeling, high-performance computing and advanced visualization, will define a powerful framework that could be utilized for local, regional or global and/or thematic digital twins. This presentation will describe a general overview of the AIST ESDT vision including prior work done in the areas of NOS and ACF as well as current and upcoming ESDT projects.

Jacqueline Le Moigne↗

NASA NTRS2008

Ensemble: an Architecture for Mission-Operations Software

Ensemble is the name of an open architecture for, and a methodology for the development of, spacecraft mission operations software. Ensemble is also potentially applicable to the development of non-spacecraft mission-operations- type software. Ensemble capitalizes on the strengths of the open-source Eclipse software and its architecture to address several issues that have arisen repeatedly in the development of mission-operations software: Heretofore, mission-operations application programs have been developed in disparate programming environments and integrated during the final stages of development of missions. The programs have been poorly integrated, and it has been costly to develop, test, and deploy them. Users of each program have been forced to interact with several different graphical user interfaces (GUIs). Also, the strategy typically used in integrating the programs has yielded serial chains of operational software tools of such a nature that during use of a given tool, it has not been possible to gain access to the capabilities afforded by other tools. In contrast, the Ensemble approach offers a low-risk path towards tighter integration of mission-operations software tools.

Norris, Jeffrey↗

NASA NTRSDate not supplied

Elevating the Quality of Space Omics Sequencing Data: Innovations and Methodologies from NASA GeneLab Sample Processing Laboratory

NASA’s GeneLab, part of the NASA Open Science Data Repository, is a space-related database that hosts a diverse range of transcriptomics, proteomics, epigenomics and genomics data. The NASA GeneLab Sample Processing Laboratory (SPL) generates omics data from biological experiments conducted aboard the International Space Station, Space Shuttle and space related ground experiments, this omics data then hosted on the GeneLab repository. Samples generated such experiments pose numerous technical challenges such as small experimental sample size, variance in dissection times, limited tissue preservation methods, prolonged storage time, and more. GeneLab SPL team had developed specialized expertise in nucleic acid extraction, library preparation and sequencing of such biological samples via extensive training and years of experience. In order to ensure data accuracy and consistency across experiments, SPL has developed standardized protocols for each species and tissue type. These protocols in conjunction with quality control metrics and data standards are crucial in generating of high-quality data. SPL protocols and standards have been developed in collaboration with the scientific community and had been made publicly available on the GeneLab portal, guaranteeing comparability of datasets across spaceflight experiments. To ensure reliability of data generation, SPL leverages cutting-edge innovations in laboratory automation for sample processing. By leveraging these state-of-the-art platforms, SPL achieves high levels of data reproducibility while significantly minimizing sources of bias and variability, especially across experiments with large numbers of samples. Over the past few years, the space biology investigator community has accessed SPL-generated data from the Open Science Data Repository for a myriad of data re-analysis and re-use studies. We observe a trend that in-house SPL-generated data consistently outperforms outsourced sequencing data in terms of technical standards, quality control metrics, timeliness of data delivery, and sequencing and reagent efficiency. Superior data generation has and will continue to enable discoveries in disease, diagnostic tools, and the biological effects of long duration spaceflight.

GeneLab↗

NASA NTRSDate not supplied

Elevating the Quality of Space Omics Sequencing Data: Innovations and Methodologies from NASA GeneLab Sample Processing Laboratory

GeneLab↗

NASA NTRSDate not supplied

Tracking the Hunga Tonga-Hunga Ha’apai Eruption Stratospheric Aerosol and Trace Gas Plumes Using Machine Learning

On January 15, 2022, the Hunga Tonga-Hunga Ha’apai (hereafter, Hunga Tonga) submarine volcano had an explosive eruption that thrusted ash, gases, and water vapor through the troposphere into the stratosphere and mesosphere. Previous studies manually tracked the aerosol and trace gas plumes over time across different positions in the southern hemisphere. Using data retrieved from low earth orbiting satellite instruments (e.g., OMPS, OMI, and CALIPSO), this research demonstrates how open-source machine learning (ML) models, like Meta’s Segment Anything Model (SAM), with prompt engineering can perform automatic plume tracking following the Hunga Tonga eruption. This extensible methodology, and modular data processing and modeling pipeline using NASA Earthdata and Openscapes, establishes a framework for systematically and rapidly studying extreme events, including volcanic eruptions and large-scale wildfires. By combining advanced machine learning techniques, such as SAM’s zero-shot learning, with large volumes of remote sensing data, this work demonstrates how AI and open science can accelerate research and generate actionable results. The tools and technologies presented here can help translate earth science to action from NASA’s current and future Earth observing satellite missions (e.g., the Atmosphere Observing System (AOS)), and assist researchers and stakeholders in understanding, mapping, and responding to natural disasters and extreme events in a changing world.

David M. Giles↗

NASA NTRS2005

Use of New Communication Technologies to Change NASA Safety Culture: Incorporating the Use of Blogs as a Fundamental Communications Tool

The purpose of this paper is to explore an innovative approach to culture change at NASA that goes beyond reorganizations, management training, and a renewed emphasis on safety. Over the last five years, a technological social revolution has been emerging from the internet. Blogs (aka web logs) are transforming traditional communication and information sharing outlets away from established information sources such as the media. The Blogosphere has grown from zero blogs in 1999 to approximately 4.5 million as of November 2004 and is expected to double in 2005. Blogs have demonstrated incredible effectiveness and efficiency with regards to affecting major military and political events. Consequently, NASA should embrace the new information paradigm presented by blogging. NASA can derive exceptional benefits from the new technology as follows: 1) Personal blogs can overcome the silent safety culture by giving voice to concerns or questions that are not well understood or seemingly inconsequential to the NASA community at-large without the pressure of formally raising a potential false alarm. Since blogs can be open to Agency-wide participation, an incredible amount of resources from an extensive pool of experience can focus on a single issue, concern, or problem and quickly vetted, discussed and assessed for feasibility, significance, and criticality. The speed for which this could be obtained cannot be matched through any other process or procedure currently in use. 2) Through official NASA established blogs, lessons learned can be a real-time two way process that is formed and implemented from the ground level. Data mining of official NASA blogs and personal blogs of NASA personnel can identify hot button issues and concerns to senior management. 3) NASA blogs could function as a natural ombudsman for the NASA community. Through the recognition of issues being voiced by the community and taking a proactive stance on those issues, credibility within NASA Management can be restored. For NASA to harness the capabilities of blogs, NASA must develop an Agency-wide policy on blogging to encourage use and provide guidance. This policy should describe basic rules of conduct and content as well as a policy of non-retribution and/or anonymity. The Agency must provide sever space within their firewalls, provide appropriate software tools, and promote blogs in newsletters and official websites. By embracing the use of blogs, a potential pool of 19,000 experts could be available to address each posted safety issue, concern, problem, or question. Blogs could result in real NASA culture change.

Huls, Dale thomas↗

NASA NTRSDate not supplied

Evaluating Machine Learning Approaches to Plume Tracking

On July 15, 2022, the Hunga Tonga-Hunga Ha’apai (HTHH) submarine volcano erupted, propelling trace gasses and ash through the troposphere and up into the stratosphere. Previous studies manually tracked the aerosol and trace gas plumes over time across different positions in the southern hemisphere. Using imagery from NASA’s Earth Observing System, including MODIS aerosol products and OMI sulfur dioxide products, this research demonstrates how open-source machine learning (ML) models, like Meta’s Segment Anything Model (SAM), can perform automatic plume tracking following the Hunga Tonga eruption. This extensible methodology, and modular data processing and modeling pipeline, establishes a framework for systematically and rapidly studying natural disasters, including additional volcanic eruptions and large-scale wildfires. By combining advanced machine learning techniques, such as SAM’s zero-shot learning, with large volumes of NASA’s Earth Observation and remote sensing data, this work shows how AI and open science can accelerate research and generate actionable results, even for unprecedented events. The tools and technologies presented here can help translate earth science to action from NASA’s current and future Earth observing satellite missions, and assist researchers and stakeholders in understanding, mapping, and responding to natural disasters in a changing world.

machine learning↗

NASA NTRS2017

PandExo: A Community Tool for Transiting Exoplanet Science with JWST and HST

As we approach the James Webb Space Telescope (JWST) era, several studies have emerged that aim to (1) characterize how the instruments will perform and (2) determine what atmospheric spectral features could theoretically be detected using transmission and emission spectroscopy. To some degree, all these studies have relied on modeling of JWST's theoretical instrument noise. With under two years left until launch, it is imperative that the exoplanet community begins to digest and integrate these studies into their observing plans, as well as think about how to leverage the Hubble Space Telescope (HST) to optimize JWST observations. To encourage this and to allow all members of the community access to JWST & HST noise simulations, we present here an open-source Python package and online interface for creating observation simulations of all observatory-supported timeseries spectroscopy modes. This noise simulator, called PandExo, relies on some aspects of Space Telescope Science Institute's Exposure Time Calculator, Pandeia. We describe PandExo and the formalism for computing noise sources for JWST. Then we benchmark PandExoʼs performance against each instrument team's independently written noise simulator for JWST, and previous observations for HST. We find that PandExo is within 10% agreement for HST/WFC3 and for all JWST instruments.

Batalha, Natasha E.↗

NASA NTRSDate not supplied

Using XR for Improving Scientific Discovery With Numerical Weather Models

Earth science (ES) digital twins will help us understand the complex interactions and interrelationships that make up our Earth system and the impacts of earth science phenomena on it. Our work addresses two underdeveloped areas in current ES digital twin work: improving the understanding and interaction with ES model outputs by using Virtual and Mixed Reality (XR) tools and improving the non-intuitive mapping of continuous ES natural phenomena to gridded reference frames in current numerical models. Traditionally, scientists working on ES view and analyze the results of calculated or measured observables with static 1-dimensional (1D), 2D or 3D plots displayed on flat computer screens or paper. Using such limited mediums, it can be very difficult to identify, track and understand the evolution of key features due to poor viewing angles and the nature of flat computer screens. In addition, numerical models, such as the NASA Goddard Earth Observing System (GEOS) ES model, are almost exclusively formulated, visualized and analyzed in an Eulerian reference frame with fixed grid points in space and time. However, ES phenomena such as convective clouds, hurricanes and wildfire smoke plumes are visualized and analyzed in a Lagrangian reference frame: therefore it is often difficult and unnatural to understand these phenomena in relation to each other, visualized either in an Eulerian or Lagrangian context. In 3D visualizations, data generally takes one of three forms: gridded (e.g., voxelized) data, where space is divided into regions; point clouds, where data is represented as a set of points; and meshes, where objects are rendered as surfaces composed of small polygons (usually triangles). A gridded, Eulerian reference frame has been the default representation for the 2D visual analysis of atmospheric data in part because the numerical methods used to generate atmospheric model data in the first place use a gridded approach, with equations defining the relationships between the physical variables in each of a grid's cells across successive timesteps. In our work, we are particularly interested in data from GEOS. Another reason why gridded representations tend to be used for visualizing data from such models is because trajectories are difficult to interpret from representations on 2D surfaces, due to line-of-sight ambiguity. Instead of a fixed grid from GEOS, we embed a trajectory model to simulate particles' movement throughout a GEOS run. We then ingest these particle trajectories as animated point clouds with a NASA open source XR toolkit, the Mixed Reality Exploration Toolkit (MRET), and merge GEOS data with ES phenomena data onto one combined visualization that the user can intuitively interact with. Efficient rendering of arbitrarily large point clouds is an ongoing challenge being addressed by the computer science community, with the GPU-based optimizations and efficient GPU memory utilization a common theme of recent advances, especially for XR, where sustained high frame rate is mandatory to save the user from suffering due to simulation sickness. In this work, we describe and evaluate our progress in choosing and implementing appropriate methods for rendering arbitrarily large point clouds within MRET for XR. While tracking the XR headset enables the immersion of a user within a 3D scene of a data visualization, tracking of XR handheld controllers or user’s hands enables us to implement intuitive user interactions with the visualized datasets. Conventional tools require a user working with an ES visualization to conduct many interactions to commit their intended selections or manipulations with a visualized dataset; for example to specify a set of points in 3D space. Doing so in a 2D flat screen interface has traditionally required specifying a set of points in three distinct 2D coordinate systems (XY, XZ, and YZ), which is cumbersome. In other scientific domains, it has been shown that specifying or selecting a location or volume in XR using handheld controllers or tracked hands allows for greater speed and accuracy. We anticipate the same will hold true for atmospheric data, and we will share initial results of measuring the utility of such an interface. Notably, as the data being visualized is generated by GEOS as a prediction based on initial conditions, an intended application of our tool is to serve as part of an iterative feedback loop. Through XR, a scientist will review and manipulate a GEOS model run, modifying the conditions as needed to do subsequent runs of GEOS. Thereby, XR-based improvements to speed and accuracy of 3D tagging of points minimizes the effort required by both the scientist and the computer cluster conducting the necessary calculations.

Thomas Grubb↗

NASA NTRS2010

DigitalHuman (DH): An Integrative Mathematical Model ofHuman Physiology

Mathematical models and simulation are important tools in discovering the key causal relationships governing physiological processes and improving medical intervention when physiological complexity is a central issue. We have developed a model of integrative human physiology called DigitalHuman (DH) consisting of -5000 variables modeling human physiology describing cardiovascular, renal, respiratory, endocrine, neural and metabolic physiology. Users can view time-dependent solutions and interactively introduce perturbations by altering numerical parameters to investigate new hypotheses. The variables, parameters and quantitative relationships as well as all other model details are described in XML text files. All aspects of the model, including the mathematical equations describing the physiological processes are written in XML open source, text-readable files. Model structure is based upon empirical data of physiological responses documented within the peer-reviewed literature. The model can be used to understand proposed physiological mechanisms and physiological interactions that may not be otherwise intUitively evident. Some of the current uses of this model include the analyses of renal control of blood pressure, the central role of the liver in creating and maintaining insulin resistance, and the mechanisms causing orthostatic hypotension in astronauts. Additionally the open source aspect of the modeling environment allows any investigator to add detailed descriptions of human physiology to test new concepts. The model accurately predicts both qualitative and more importantly quantitative changes in clinically and experimentally observed responses. DigitalHuman provides scientists a modeling environment to understand the complex interactions of integrative physiology. This research was supported by.NIH HL 51971, NSF EPSCoR, and NASA

Hester, Robert L.↗

NASA NTRS2011

Space Telecommunications Radio System (STRS) Compliance Testing

The Space Telecommunications Radio System (STRS) defines an open architecture for software defined radios. This document describes the testing methodology to aid in determining the degree of compliance to the STRS architecture. Non-compliances are reported to the software and hardware developers as well as the NASA project manager so that any non-compliances may be fixed or waivers issued. Since the software developers may be divided into those that provide the operating environment including the operating system and STRS infrastructure (OE) and those that supply the waveform applications, the tests are divided accordingly. The static tests are also divided by the availability of an automated tool that determines whether the source code and configuration files contain the appropriate items. Thus, there are six separate step-by-step test procedures described as well as the corresponding requirements that they test. The six types of STRS compliance tests are: STRS application automated testing, STRS infrastructure automated testing, STRS infrastructure testing by compiling WFCCN with the infrastructure, STRS configuration file testing, STRS application manual code testing, and STRS infrastructure manual code testing. Examples of the input and output of the scripts are shown in the appendices as well as more specific information about what to configure and test in WFCCN for non-compliance. In addition, each STRS requirement is listed and the type of testing briefly described. Attached is also a set of guidelines on what to look for in addition to the requirements to aid in the document review process.

Handler, Louis M.↗

NASA NTRS2013

Adoption of Test Driven Development and Continuous Integration for the Development of the Trick Simulation Toolkit

This paper describes the adoption of a Test Driven Development approach and a Continuous Integration System in the development of the Trick Simulation Toolkit, a generic simulation development environment for creating high fidelity training and engineering simulations at the NASA/Johnson Space Center and many other NASA facilities. It describes what was learned and the significant benefits seen, such as fast, thorough, and clear test feedback every time code is checked-in to the code repository. It also describes a system that encourages development of code that is much more flexible, maintainable, and reliable. The Trick Simulation Toolkit development environment provides a common architecture for user-defined simulations. Trick builds executable simulations using user-supplied simulation-definition files (S_define) and user supplied "model code". For each Trick-based simulation, Trick automatically provides job scheduling, checkpoint / restore, data-recording, interactive variable manipulation (variable server), and an input-processor. Also included are tools for plotting recorded data and various other supporting tools and libraries. Trick is written in C/C++ and Java and supports both Linux and MacOSX. Prior to adopting this new development approach, Trick testing consisted primarily of running a few large simulations, with the hope that their complexity and scale would exercise most of Trick's code and expose any recently introduced bugs. Unsurprising, this approach yielded inconsistent results. It was obvious that a more systematic, thorough approach was required. After seeing examples of some Java-based projects that used the JUnit test framework, similar test frameworks for C and C++ were sought. Several were found, all clearly inspired by JUnit. Googletest, a freely available Open source testing framework, was selected as the most appropriate and capable. The new approach was implemented while rewriting the Trick memory management component, to eliminate a fundamental design flaw. The benefits became obvious almost immediately, not just in the correctness of the individual functions and classes but also in the correctness and flexibility being added to the overall design. Creating code to be testable, and testing as it was created resulted not only in better working code, but also in better-organized, flexible, and readable (i.e., articulate) code. This was, in essence the Test-driven development (TDD) methodology created by Kent Beck. Seeing the benefits of Test Driven Development, other Trick components were refactored to make them more testable and tests were designed and implemented for them.

Penn, John M.↗

NASA NTRS2015

Open Rotor Noise Shielding by Blended-Wing-Body Aircraft

This paper presents an analysis of open rotor noise shielding by Blended Wing Body (BWB) aircraft by using model scale test data acquired in the Boeing Low Speed Aeroacoustic Facility (LSAF) with a legacy F7/A7 rotor model and a simplified BWB platform. The objective of the analysis is the understanding of the shielding features of the BWB and the method of application of the shielding data for noise studies of BWB aircraft with open rotor propulsion. By studying the directivity patterns of individual tones, it is shown that though the tonal energy distribution and the spectral content of the wind tunnel test model, and thus its total noise, may differ from those of more advanced rotor designs, the individual tones follow directivity patterns that characterize far field radiations of modern open rotors, ensuring the validity of the use of this shielding data. Thus, open rotor tonal noise shielding should be categorized into front rotor tones, aft rotor tones and interaction tones, not only because of the different directivities of the three groups of tones, but also due to the differences in their source locations and coherence features, which make the respective shielding characteristics of the three groups of tones distinctly different from each other. To reveal the parametric trends of the BWB shielding effects, results are presented with variations in frequency, far field emission angle, rotor operational condition, engine installation geometry, and local airframe features. These results prepare the way for the development of parametric models for the shielding effects in prediction tools.

Guo, Yueping↗

NASA NTRS2019

High-Performance Computing Optimization for Aladyn – Adaptive Neural Network Molecular Dynamics Mini-Application

This report provides a description and performance evaluation of the optimization techniques for high performance computing (HPC) implementation of the open source Computational Materials mini-application Aladyn (https://github.com/nasa/aladyn). Aladyn is a basic molecular dynamics code written in FORTRAN 2003, which is designed to demonstrate the use of adaptive neural networks (ANNs) in atomistic simulations. The role of ANNs is to efficiently reproduce the very complex energy landscape resulting from the atomic interactions in materials with the accuracy of the more expensive quantum mechanics-based calculations. The ANN is trained on a large set of atomic structures calculated using the density functional theory (DFT) method. While achieving orders of magnitude faster computational performance than DFT, the ANN-based approach was still very computationally demanding compared to the conventional approach of using empirically fitted energy functions. After its initial development, Aladyn was evaluated and optimized by experts at the NASA Advanced Supercomputing (NAS) division to exploit modern supercomputer architectures. The code has been optimized for execution on multicore central processing units (CPUs), including Intel® Skylake microarchitecture, and on graphic accelerators, such as Nvidia® V100 graphic processing units (GPUs), using Open Multi-Processing (OpenMP) and Open Accelerators (OpenACC) programming interfaces. The optimization achieved a speedup of 4.7 times the baseline version on CPU performance and an additional 2.4 times on CPU+GPU performance. Atomistic computer simulations are a fundamental tool in materials research to model material properties form physics-based first principles. Atomic interaction, governed by Quantum Mechanics (QM) require sophisticated and highly computationally demanding mathematical models to calculate [1]. Classical methods use approximate functional forms, empirically fitted through a set of variable parameters to emulate atomic energies as direct functions of atomic coordinates [2]. While empirical potentials are computationally much simpler, allowing simulations of large-scale systems of up to a trillion (1012) atoms [3], they are substantially less accurate compared to quantum calculations and applicable only to very specific atomic configurations or predefined crystallographic phases. A recently suggested approach is to use heuristic machine learning methods [4], such as those based on Adaptive Neural Networks (ANNs) to predict atomic energies, after being trained on a sufficiently large database of QM-calculated structures [5,6]. This approach reduces significantly the computational complexity, allowing for simulations of orders of magnitude larger systems compared to QM-based methods without compromising accuracy. Still, compared to classical methods using empirical energy functions, ANN methods remain two- to three orders of magnitude more computationally demanding. Hence, the computational cost of simulations, together with the need for extensive training of ANNs, still makes the practical implementation of ANN-based methods quite challenging. The purpose of the Aladyn mini-application software [7], available as open source at https://github.com/nasa/aladyn, is to be a testbed for exploring possible optimization strategies to develop highly scalable parallel algorithms for ANN-based atomistic simulations. Aladyn is aimed at utilizing the architecture of the high-end modern highperformance computing (HPC) hardware based on multicore central processing units (CPUs) equipped with graphic processing unit (GPU) accelerators. Specifically, the goal is to optimize the performance on a single HPC compute node, before implementing scaling to multi-node parallelization using message passing interface (MPI). At the same time, the open source code of Aladyn can serve as a training model for students and professors in academia.

Yamakov, Vesselin I.↗

NASA NTRSDate not supplied

Preservation of Provenance and Context to Ensure Future Understandability of Airborne Earth Observations and Derived Data Products

Open-source science goes beyond making data from scientific projects (e.g., on-orbit/satellite missions, airborne and field investigations, and other data producing activities) openly available after they are generated, but involves and open sharing of information throughout the project lifecycle. Preservation of the data and associated information required for understanding and reusing the data well after the scientific projects is a contributor to open-source science as well. Considering the high investment in the on-orbit/satellite missions, we had developed a document titled “NASA Earth Science Data Preservation Content Specification (PCS)” in 2011. This document has been used as a requirement for recent on-orbit/satellite missions by NASA. Recently it became clear that the specifications should be applied to other scientific projects as well. Therefore, the document was revised to cover other types of projects, and a Preservation Content Implementation Guidance (PCIG) document was also developed. The revised PCS, and the PCIG, were published in 2022. The purpose of this presentation is to highlight the contents of these documents as they apply to suborbital/airborne investigations. The PCS calls for content preservation in eight general categories - Measuring Instrument/Platform Description, Instrument and Science Data Products and Metadata, Science Raw Data, Product and Algorithm Documentation, Instrument Calibration, Science Algorithm Software, Science Data Product Algorithm Inputs, Science Data Product Validation, and Science Data Access and Analysis Tools. While all these categories apply to various types of projects, a few clarifying sentences have been added to the descriptions of contents in each of the categories to show which categories are especially important to airborne and field investigations and where some contents are not applicable (or difficult to obtain). The PCIG document provides some general guidance applicable to all types of projects and specific guidance in a separate section for airborne and field investigations. This section calls out typical artifacts produced during such investigations that can meet the spirit of the various PCS categories.

remote sensing↗

NASA NTRS2014

Contra-Rotating Open Rotor Tone Noise Prediction

Reliable prediction of contra-rotating open rotor (CROR) noise is an essential element of any strategy for the development of low-noise open rotor propulsion systems that can meet both the community noise regulations and the cabin noise limits. Since CROR noise spectra typically exhibits a preponderance of tones, significant efforts have been directed towards predicting their tone spectra. To that end, there has been an ongoing effort at NASA to assess various in-house open rotor tone noise prediction tools using a benchmark CROR blade set for which significant aerodynamic and acoustic data had been acquired in wind tunnel tests. In the work presented here, the focus is on the near-field noise of the benchmark open rotor blade set at the cruise condition. Using an analytical CROR tone noise model with input from high-fidelity aerodynamic simulations, detailed tone noise spectral predictions have been generated and compared with the experimental data. Comparisons indicate that the theoretical predictions are in good agreement with the data, especially for the dominant CROR tones and their overall sound pressure level. The results also indicate that, whereas individual rotor tones are well predicted by the linear sources (i.e., thickness and loading), for the interaction tones it is essential that the quadrupole sources be included in the analysis.

Propeller Noise↗