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NASA NTRS2001

STS-102/Expedition 2 Mission Overview

John Shannon, STS-102 Lead Flight Director, Bernestine Dickey, STS-102 Launch Package Manager, and Rick La Brode, International Space Station (ISS) Lead Flight Director, give an overview of the STS-102 mission during a prelaunch press conference. Mr. Shannon discusses how the mission came into being and its objectives, including information on the launch and a day-by-day account of mission activities. Ms. Dickey gives details on the payload of STS-102, describing the system racks, cargo elements, and crew supplies delivered via the Leonardo Multi-Purpose Logistics Module. Mr. La Brode describes the current configuration of the ISS and upcoming changes. He also discusses the activities of the Expedition 2 crew during the next four months. Computer simulations show the ISS' current and future (after the STS-102 mission) configurations, the installations of Leonardo, and the move of the Pressurized Mating Adapter from one port to another on the Destiny Laboratory. The panel then answers questions from the press.

Source record↗

NASA NTRS1998

NASA Applications of Molecular Nanotechnology

Laboratories throughout the world are rapidly gaining atomically precise control over matter. As this control extends to an ever wider variety of materials, processes and devices, opportunities for applications relevant to NASA's missions will be created. This document surveys a number of future molecular nanotechnology capabilities of aerospace interest. Computer applications, launch vehicle improvements, and active materials appear to be of particular interest. We also list a number of applications for each of NASA's enterprises. If advanced molecular nanotechnology can be developed, almost all of NASA's endeavors will be radically improved. In particular, a sufficiently advanced molecular nanotechnology can arguably bring large scale space colonization within our grasp.

Globus, Al↗

NASA NTRS1976

Highway Profiling

Ride quality on highways and railways improved by Marshall Space Flight Center's stabilized spacecraft guidance and control systems. Instruments for profiling roadways are enhanced by addition of stable three-axis platform-type inertial reference. System can measure banks, bumps, curves, grades, elevations, speeds, and roadway undulations. Appropriate computer programs can be written to answer future questions concerning roadbed.

Source record↗

NASA NTRS2004

Archiving Space Geodesy Data for 20+ Years at the CDDIS

Since 1982, the Crustal Dynamics Data Information System (CDDIS) has supported the archive and distribution of geodetic data products acquired by NASA programs. These data include GPS (Global Positioning System), GLONASS (GLObal NAvigation Satellite System), SLR (Satellite Laser Ranging), VLBI (Very Long Baseline Interferometry), and DORIS (Doppler Orbitography and Radiolocation Integrated by Satellite). The data archive supports NASA's space geodesy activities through the Solid Earth and Natural Hazards (SENH) program. The CDDIS data system and its archive have become increasingly important to many national and international programs, particularly several of the operational services within the International Association of Geodesy (IAG), including the International GPS Service (IGS), the International Laser Ranging Service (ILRS), the International VLBI Service for Geodesy and Astrometry (IVS), the International DORIS Service (IDS), and the International Earth Rotation Service (IERS). The CDDIS provides easy and ready access to a variety of data sets, products, and information about these data. The specialized nature of the CDDIS lends itself well to enhancement and thus can accommodate diverse data sets and user requirements. All data sets and metadata extracted from these data sets are accessible to scientists through ftp and the web; general information about each data set is accessible via the web. The CDDIS, including background information about the system and its user communities, the computer architecture, archive contents, available metadata, and future plans will be discussed.

Noll, Carey E.↗

NASA NTRS2012

Production Level CFD Code Acceleration for Hybrid Many-Core Architectures

In this work, a novel graphics processing unit (GPU) distributed sharing model for hybrid many-core architectures is introduced and employed in the acceleration of a production-level computational fluid dynamics (CFD) code. The latest generation graphics hardware allows multiple processor cores to simultaneously share a single GPU through concurrent kernel execution. This feature has allowed the NASA FUN3D code to be accelerated in parallel with up to four processor cores sharing a single GPU. For codes to scale and fully use resources on these and the next generation machines, codes will need to employ some type of GPU sharing model, as presented in this work. Findings include the effects of GPU sharing on overall performance. A discussion of the inherent challenges that parallel unstructured CFD codes face in accelerator-based computing environments is included, with considerations for future generation architectures. This work was completed by the author in August 2010, and reflects the analysis and results of the time.

Duffy, Austen C.↗

NASA NTRS2013

Implementation of Implicit Adaptive Mesh Refinement in an Unstructured Finite-Volume Flow Solver

This paper explores the implementation of adaptive mesh refinement in an unstructured, finite-volume solver. Unsteady and steady problems are considered. The effect on the recovery of high-order numerics is explored and the results are favorable. Important to this work is the ability to provide a path for efficient, implicit time advancement. A method using a simple refinement sensor based on undivided differences is discussed and applied to a practical problem: a shock-shock interaction on a hypersonic, inviscid double-wedge. Cases are compared to uniform grids without the use of adapted meshes in order to assess error and computational expense. Discussion of difficulties, advances, and future work prepare this method for additional research. The potential for this method in more complicated flows is described.

Schwing, Alan M.↗

NASA NTRS2013

Future Extreme Heat Scenarios to Enable the Assessment of Climate Impacts on Public Health over the Coterminous U.S.

In the United States, extreme heat is the most deadly weather-related hazard. In the face of a warming climate and urbanization, which contributes to local-scale urban heat islands, it is very likely that extreme heat events (EHEs) will become more common and more severe in the U.S. This research seeks to provide historical and future measures of climate-driven extreme heat events to enable assessments of the impacts of heat on public health over the coterminous U.S. We use atmospheric temperature and humidity information from meteorological reanalysis and from Global Climate Models (GCMs) to provide data on past and future heat events. The focus of research is on providing assessments of the magnitude, frequency and geographic distribution of extreme heat in the U.S. to facilitate public health studies. In our approach, long-term climate change is captured with GCM outputs, and the temporal and spatial characteristics of short-term extremes are represented by the reanalysis data. Two future time horizons for 2040 and 2090 are compared to the recent past period of 1981- 2000. We characterize regional-scale temperature and humidity conditions using GCM outputs for two climate change scenarios (A2 and A1B) defined in the Special Report on Emissions Scenarios (SRES). For each future period, 20 years of multi-model GCM outputs are analyzed to develop a 'heat stress climatology' based on statistics of extreme heat indicators. Differences between the two future and the past period are used to define temperature and humidity changes on a monthly time scale and regional spatial scale. These changes are combined with the historical meteorological data, which is hourly and at a spatial scale (12 km), to create future climate realizations. From these realizations, we compute the daily heat stress measures and related spatially-specific climatological fields, such as the mean annual number of days above certain thresholds of maximum and minimum air temperatures, heat indices and a new heat stress variable developed as part of this research that gives an integrated measure of heat stress (and relief) over the course of a day. Comparisons are made between projected (2040 and 2090) and past (1990) heat stress statistics. Outputs are aggregated to the county level, which is a popular scale of analysis for public health interests. County-level statistics are made available to public health researchers by the Centers for Disease Control and Prevention (CDC) via the Wideranging Online Data for Epidemiologic Research (WONDER) system. This addition of heat stress measures to CDC WONDER allows decision and policy makers to assess the impact of alternative approaches to optimize the public health response to EHEs. Through CDC WONDER, users are able to spatially and temporally query public health and heat-related data sets and create county-level maps and statistical charts of such data across the coterminous U.S

Quattrochi, Dale A.↗

NASA NTRS2014

Linking Excessive Heat with Daily Heat-Related Mortality over the Coterminous United States

In the United States, extreme heat is the most deadly weather-related hazard. In the face of a warming climate and urbanization, which contributes to local-scale urban heat islands, it is very likely that extreme heat events (EHEs) will become more common and more severe in the U.S. This research seeks to provide historical and future measures of climate-driven extreme heat events to enable assessments of the impacts of heat on public health over the coterminous U.S. We use atmospheric temperature and humidity information from meteorological reanalysis and from Global Climate Models (GCMs) to provide data on past and future heat events. The focus of research is on providing assessments of the magnitude, frequency and geographic distribution of extreme heat in the U.S. to facilitate public health studies. In our approach, long-term climate change is captured with GCM outputs, and the temporal and spatial characteristics of short-term extremes are represented by the reanalysis data. Two future time horizons for 2040 and 2090 are compared to the recent past period of 1981- 2000. We characterize regional-scale temperature and humidity conditions using GCM outputs for two climate change scenarios (A2 and A1B) defined in the Special Report on Emissions Scenarios (SRES). For each future period, 20 years of multi-model GCM outputs are analyzed to develop a 'heat stress climatology' based on statistics of extreme heat indicators. Differences between the two future and the past period are used to define temperature and humidity changes on a monthly time scale and regional spatial scale. These changes are combined with the historical meteorological data, which is hourly and at a spatial scale (12 km) much finer than that of GCMs, to create future climate realizations. From these realizations, we compute the daily heat stress measures and related spatially-specific climatological fields, such as the mean annual number of days above certain thresholds of maximum and minimum air temperatures, heat indices, and a new heat stress variable developed as part of this research that gives an integrated measure of heat stress (and relief) over the course of a day. Comparisons are made between projected (2040 and 2090) and past (1990) heat stress statistics. Outputs are aggregated to the county level, which is a popular scale of analysis for public health interests. County-level statistics are made available to public health researchers by the Centers for Disease Control and Prevention (CDC) via the Wide-ranging Online Data for Epidemiologic Research (WONDER) system. This addition of heat stress measures to CDC WONDER allows decision and policy makers to assess the impact of alternative approaches to optimize the public health response to EHEs. Through CDC WONDER, users are able to spatially and temporally query public health and heat-related data sets and create county-level maps and statistical charts of such data across the coterminous U.S.

Quattrochi, Dale A.↗

NASA NTRS2019

A Crop Yield Change Emulator for Use in GCAM and Similar Models: Persephone v1.0

Future changes in Earth system state will impact agricultural yields and, through these changed yields, can have profound impacts on the global economy. Global gridded crop models estimate the influence of these Earth system changes on future crop yields but are often too computationally intensive to dynamically couple into global multisector economic models, such as the Global Change Assessment Model (GCAM) and other similar-in-scale models. Yet, generalizing a faster site-specific crop model’s results to be used globally will introduce inaccuracies, and the question of which model to use is unclear given the wide variation in yield response across crop models. To examine the feedback loop among socioeconomics, Earth system changes, and crop yield changes, rapidly generated yield responses with some quantification of crop response uncertainty are desirable. The Persephone v1.0 response functions presented in this work are based on the Agricultural Model Intercomparison and Improvement Project (AgMIP) Coordinated Climate-Crop Modeling Project (C3MP) sensitivity test data set and are focused on providing GCAM and similar models with a tractable number of rapid to evaluate dynamic yield response functions corresponding to a range of the yield response sensitivities seen in the C3MP data set. With the Persephone response functions, a new variety of agricultural impact experiments will be open to GCAM and other economic models: for example, examining the economic impacts of a multi-year drought in a key agricultural region and how economic changes in response to the drought can, in turn, impact the drought.

Snyder, Abigail↗

NASA NTRSDate not supplied

SPACE: Three Decades of Spacecraft Power Systems Analysis with Fortran

The SPACE (System Power Analysis for Capability Evaluation) Fortran program developed at NASA Glenn Research Center has enabled power generation predictions and energy balance analyses for spacecraft electrical power systems (EPS) since 1988. SPACE was originally designed to analyze the EPS of the Space Station Freedom and continues to support certifications for visiting vehicles and extravehicular activities on the International Space Station today. Another version of SPACE currently supports design and mission planning operations for the Orion and Gateway vehicles as part of NASA’s Artemis program. In total, over 50 engineers have contributed to the development and use of SPACE on various platforms throughout its history. Ongoing code modernization efforts aim to generalize the program for use with different vehicles and configurations. While SPACE team analysts currently interact with the program via the command line, future development work also includes the creation of a graphical user interface for use by flight operations personnel. The SPACE code thus has a long legacy in spacecraft EPS analysis and will continue to play a critical role in future human spaceflight missions by leveraging the computational power of Fortran.

Fortran↗

DOE OSTI2024

Buffer-IPyC separation process in TRISO fuel particles simulated with Bison code

During High Temperature Gas-cooled Reactor (HTGR) operation, tristructural isotropic (TRISO) coated-particle fuel undergoes irradiation-induced changes in morphology and thermomechanical properties. Experimental results from the Advanced Gas Reactor (AGR) Fuel Development and Qualification Program show, among other things, the mechanism of gap formation between the buffer and inner pyrolytic carbon (IPyC) layers, which could be explored further via computational simulations using the Bison code. Two simulation models were developed, the debonding restricted model, where no gap formation between buffer and IPyC layers is permitted, and the debonding enabled model, where the gap between those layers is created. The inputs of the simulated models are based on the irradiation conditions from the AGR-1 experiment. The research included simulations on spherical and aspherical fuel types. Under the specific temperatures and fluences of the AGR-1 irradiation experiment, and the Bison simulations, it was concluded that the most common scenario is a gap formation along the buffer-IPyC interface, while the least possible scenario is the situation where there is no gap formation at the buffer-IPyC junction. The computational results confirmed that the sphericity of the fuel influences the thickness of the gap that occurs at the buffer-IPyC junction, in a way that with increasing aspect ratio the gap thickness increases. The results obtained for spherical and aspherical fuel are nearly identical. Finally, performed simulations match conclusions observed from the AGR-1 experiment, which as such shows that the Bison code is a good computational method for simulating the TRISO fuel. Future simulations will include the validation of performed research and comparison of the results between Bison and PARFUME codes.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

CHEMREASONER: Heuristic Search over a Large Language Model’s Knowledge Space using Quantum-Chemical Feedback

The discovery of new catalysts is essential for the design of new and more efficient chemical processes in order to transition to a sustainable future. We introduce an AI-guided computational screening framework unifying linguistic reasoning with quantum-chemistry based feedback from 3D atomistic representations. Our approach formulates catalyst discovery as an uncertain environment where an agent actively searches for highly effective catalysts via the iterative combination of large language model (LLM)-derived hypotheses and atomistic graph neural network (GNN)-derived feedback. Identified catalysts in intermediate search steps undergo structural evaluation based on spatial orientation, reaction pathways, and stability. Scoring functions based on adsorption energies and barriers steer the exploration in the LLM's knowledge space toward energetically favorable, high-efficiency catalysts. We introduce planning methods that automatically guide the exploration without human input, providing competitive performance against expert-enumerated chemical descriptor-based implementations. By integrating language-guided reasoning with computational chemistry feedback, our work pioneers AI-accelerated, trustworthy catalyst discovery.

artificial intelligence↗

DOE OSTI2020

A Computational Theory for the Emergence of Grammatical Categories in Cortical Dynamics

A general agreement in psycholinguistics claims that syntax and meaning are unified precisely and very quickly during online sentence processing. Although several theories have advanced arguments regarding the neurocomputational bases of this phenomenon, we argue that these theories could potentially benefit by including neurophysiological data concerning cortical dynamics constraints in brain tissue. In addition, some theories promote the integration of complex optimization methods in neural tissue. In this paper we attempt to fill these gaps introducing a computational model inspired in the dynamics of cortical tissue. In our modeling approach, proximal afferent dendrites produce stochastic cellular activations, while distal dendritic branches–on the other hand–contribute independently to somatic depolarization by means of dendritic spikes, and finally, prediction failures produce massive firing events preventing formation of sparse distributed representations. The model presented in this paper combines semantic and coarse-grained syntactic constraints for each word in a sentence context until grammatically related word function discrimination emerges spontaneously by the sole correlation of lexical information from different sources without applying complex optimization methods. By means of support vector machine techniques, we show that the sparse activation features returned by our approach are well suited—bootstrapping from the features returned by Word Embedding mechanisms—to accomplish grammatical function classification of individual words in a sentence. In this way we develop a biologically guided computational explanation for linguistically relevant unification processes in cortex which connects psycholinguistics to neurobiological accounts of language. We also claim that the computational hypotheses established in this research could foster future work on biologically-inspired learning algorithms for natural language processing applications.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1988

Computational requirements for on-orbit identification of space systems

For the future space systems, on-orbit identification (ID) capability will be required to complement on-orbit control, due to the fact that the dynamics of large space structures, spacecrafts, and antennas will not be known sufficiently from ground modeling and testing. The computational requirements for ID of flexible structures such as the space station (SS) or the large deployable reflectors (LDR) are however, extensive due to the large number of modes, sensors, and actuators. For these systems the ID algorithm operations need not be computed in real-time, only in near real-time, or an appropriate mission time. Consequently the space systems will need advanced processors and efficient parallel processing algorithm design and architectures to implement the identification algorithms in near real-time. The MAX computer currently being developed may handle such computational requirements. The purpose is to specify the on-board computational requirements for dynamic and static identification for large space structures. The computational requirements for six ID algorithms are presented in the context of three examples: the JPL/AFAL ground antenna facility, the space station (SS), and the large deployable reflector (LDR).

Hadaegh, Fred Y.↗

DOE OSTI2018

High-throughput cancer hypothesis testing with an integrated PhysiCell-EMEWS workflow

BackgroundCancer is a complex, multiscale dynamical system, with interactions between tumor cells and non-cancerous host systems. Therapies act on this combined cancer-host system, sometimes with unexpected results. Systematic investigation of mechanistic computational models can augment traditional laboratory and clinical studies, helping identify the factors driving a treatment's success or failure. However, given the uncertainties regarding the underlying biology, these multiscale computational models can take many potential forms, in addition to encompassing high-dimensional parameter spaces. Therefore, the exploration of these models is computationally challenging. We propose that integrating two existing technologiesone to aid the construction of multiscale agent-based models, the other developed to enhance model exploration and optimizationcan provide a computational means for high-throughput hypothesis testing, and eventually, optimization.ResultsIn this paper, we introduce a high throughput computing (HTC) framework that integrates a mechanistic 3-D multicellular simulator (PhysiCell) with an extreme-scale model exploration platform (EMEWS) to investigate high-dimensional parameter spaces. We show early results in applying PhysiCell-EMEWS to 3-D cancer immunotherapy and show insights on therapeutic failure. We describe a generalized PhysiCell-EMEWS workflow for high-throughput cancer hypothesis testing, where hundreds or thousands of mechanistic simulations are compared against data-driven error metrics to perform hypothesis optimization.ConclusionsWhile key notational and computational challenges remain, mechanistic agent-based models and high-throughput model exploration environments can be combined to systematically and rapidly explore key problems in cancer. These high-throughput computational experiments can improve our understanding of the underlying biology, drive future experiments, and ultimately inform clinical practice.

Agent-based model↗

DOE OSTI2020

Beyond Limber: efficient computation of angular power spectra for galaxy clustering and weak lensing

Angular two-point statistics of large-scale structure observables are important cosmological probes. To reach the high accuracy required by the statistical precision of future surveys, some of these statistics may need to be computed without the commonly employed Limber approximation; the exact computation however requires integration over Bessel functions, and a brute-force evaluation is slow to converge. Here, we present a new method based on our generalized FFTLog algorithm for the efficient computation of angular power spectra beyond the Limber approximation. The new method significantly simplifies the calculation and improves the numerical speed and stability. It is easily extended to handle integrals involving derivatives of Bessel functions, making it equally applicable to numerically more challenging cases such as contributions from redshift-space distortions and Doppler effects. We implement our method for galaxy clustering and galaxy-galaxy lensing power spectra. We find that using the Limber approximation for galaxy clustering in future analyses like LSST Year 1 and DES Year 6 may cause significant biases in cosmological parameters, indicating that going beyond the Limber approximation is necessary for these analyses.

weak gravitational lensing↗

NASA NTRS2017

Reachability Subspace Exploration Using Continuation Methods

Reachability manifold computation suffers from the curse of dimensionality and for large state spaces is computationally intractable. This paper examines the use of continuation methods to address this issue by formulating the reachability sub-space manifold calculation into a number of initial valued problems. As a result of computing the reachability manifold for a subspace of interest, an exponential improvement in computational cost occurs. This concept is applied to a position subspace reachability problem of a spacecraft in a Keplerian orbit under maximum thrust constraints. Future work includes a comparison of the proposed method with computing reachability manifolds using viscosity solutions of the Hamilton Jacobi Bellman partial differential equation.

orbital mechanics↗

NASA NTRS2015

Computational Approaches to Simulation and Optimization of Global Aircraft Trajectories

This study examines three possible approaches to improving the speed in generating wind-optimal routes for air traffic at the national or global level. They are: (a) using the resources of a supercomputer, (b) running the computations on multiple commercially available computers and (c) implementing those same algorithms into NASA’s Future ATM Concepts Evaluation Tool (FACET) and compares those to a standard implementation run on a single CPU. Wind-optimal aircraft trajectories are computed using global air traffic schedules. The run time and wait time on the supercomputer for trajectory optimization using various numbers of CPUs ranging from 80 to 10,240 units are compared with the total computational time for running the same computation on a single desktop computer and on multiple commercially available computers for potential computational enhancement through parallel processing on the computer clusters. This study also re-implements the trajectory optimization algorithm for further reduction of computational time through algorithm modifications and integrates that with FACET to facilitate the use of the new features which calculate time-optimal routes between worldwide airport pairs in a wind field for use with existing FACET applications. The implementations of trajectory optimization algorithms use MATLAB, Python, and Java programming languages. The performance evaluations are done by comparing their computational efficiencies and based on the potential application of optimized trajectories. The paper shows that in the absence of special privileges on a supercomputer, a cluster of commercially available computers provides a good option for computing wind-optimal trajectories for national and global air traffic system studies.

Ng, Hok K.↗