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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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At least 1,405 records · Page 78
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

In the Mix : A Workshop Merging Computational Chemistry and Electrochemistry Alongside Data Science

As chemistry expands to more complex and interdisciplinary areas, a new generation of diverse researchers must engage with science and learn effective cross-disciplinary collaboration and communication. To these ends, we designed and implemented In the Mix, a graduate student-led, two-day workshop for undergraduate students promoting collaborative science in the context of energy storage innovations. Here, the interactive workshop was designed for future and emerging researchers to gain hands-on experience with data science, computational chemistry, and electrochemistry techniques that are critical for developing materials for battery technologies. Participants also visited commercial renewable energy facilities to help them connect discovery-based research with industry and broader societal considerations. The workshop content and structure ensured that participants experienced the interrelatedness of the fields and understood the importance of collaborative research to yield scientific advances with real-world applications. An external team evaluated the workshop and participants’ perceptions of their experiences. While our research context was energy storage, the workshop goals and outcomes are applicable to other contexts. Interdisciplinary, experiential workshops are a key avenue to broadening participation in science and research, and the ideas presented here can be readily modified for other scientific contexts and/or incorporated as broader impact activities.

25 ENERGY STORAGE↗
NASA NTRS1997

Advances in Computational Capabilities for Hypersonic Flows

The paper reviews the growth and advances in computational capabilities for hypersonic applications over the period from the mid-1980's to the present day. The current status of the code development issues such as surface and field grid generation, algorithms, physical and chemical modeling, and validation is provided. A brief description of some of the major codes being used at NASA Langley Research Center for hypersonic continuum and rarefied flows is provided, along with their capabilities and deficiencies. A number of application examples are presented, and future areas of research to enhance accuracy, reliability, efficiency, and robustness of computational codes are discussed.

Kumar, Ajay↗
NASA NTRS1992

Future experimental needs in low-speed aerodynamics

This paper presents a review of future experimental needs in low-speed aerodynamic research. Emphasis is on fixed wind aircraft and the review uses the anticipated technical needs of subsonic transport aircraft and supersonic transport aircraft to establish and prioritize future low-speed experimental needs and directions. These technical needs, combined with a continuing improvement in computational capability, suggest changes in the experimental capabilities and adjustments in the use of existing capabilities. Three factors emerge that will have a major influence on the future directions for low-speed aerodynamic research: a recognition of the significance of three-dimensional high-lift aerodynamics, the increasing importance of aeroacoustics, and additional emphasis on the importance of propulsion/airframe integration. These analyses are combined with a review of the status of experimental capabilities in low-speed aerodynamic research to suggest future directions in the development and utilization of advanced instrumentation, test techniques, and test capabilities.

Olson, Lawrence E.↗
DOE OSTI2022

Quantum Distributed Unit Commitment: An Application in Microgrids

The dawn of quantum computing brings on a revolution in the way combinatorially complex power system problems such as Unit Commitment are solved. The Unit Commitment problem complexity is expected to increase in the future because of the trend toward the increase of penetration of intermittent renewables. Even though quantum computing has proven effective for solving a host of problems, its applications for power systems’ problems have been rather limited. Here, in this paper, a quantum unit commitment is innovatively formulated and the quantum version of the decomposition and coordination alternate direction method of multipliers (ADMM) is established. The above is achieved by devising quantum algorithms and by exploiting the superposition and entanglement of quantum bits (qubits) for solving subproblems, which are then coordinated through ADMM to obtain feasible solutions. The main contributions of this paper include: 1) the innovative development of a quantum model for Unit Commitment; 2) development of decomposition and coordination-supported framework which paves the way for the utilization of limited quantum resources to potentially solve the large-scale discrete optimization problems; 3) devising the novel quantum distributed unit commitment (QDUC) to solve the problem in a larger scale than currently available quantum computers are capable of solving. The QDUC results are compared with those from its classical counterpart, which validate the efficacy of quantum computing.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Verification of Electromagnetic Physics Models for Parallel Computing Architectures in the GeantV Project

An intensive R&D and programming effort is required to accomplish new challenges posed by future experimental high-energy particle physics (HEP) programs. The GeantV project aims to narrow the gap between the performance of the existing HEP detector simulation software and the ideal performance achievable, exploiting latest advances in computing technology. The project has developed a particle detector simulation prototype capable of transporting in parallel particles in complex geometries exploiting instruction level microparallelism (SIMD and SIMT), task-level parallelism (multithreading) and high-level parallelism (MPI), leveraging both the multi-core and the many-core opportunities. We present preliminary verification results concerning the electromagnetic (EM) physics models developed for parallel computing architectures within the GeantV project. In order to exploit the potential of vectorization and accelerators and to make the physics model effectively parallelizable, advanced sampling techniques have been implemented and tested. In this paper we introduce a set of automated statistical tests in order to verify the vectorized models by checking their consistency with the corresponding Geant4 models and to validate them against experimental data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

High mass and halo resolution from fast low resolution simulations

Generating mocks for future sky surveys requires large volumes and high resolutions, which is computationally expensive even for fast simulations. Here we try to develop numerical schemes to calibrate various halo and matter statistics in fast low resolution simulations compared to high resolution N-body and hydrodynamic simulations. For the halos, we improve the initial condition resolution and develop a halo finder "relaxed-FoF", where we allow different linking lengths for different halo mass and velocity dispersions. We show that our relaxed-FoF halo finder improves the common statistics, such as halo bias, halo mass function, halo auto power spectrum, cross correlation coefficient with the reference halo catalog, and halo-matter cross power spectrum. We also calibrate small-scale velocities of small halos to improve the power spectrum in redshift space. For the matter statistics, we incorporate the potential gradient descent (PGD) method into fast simulations to improve the matter distribution at nonlinear scales. By building a lightcone output, we show that the PGD method significantly improves the weak lensing convergence tomographic power spectrum. With these improvements FastPM is comparable to the high resolution full N-body simulation of the same mass resolution, with two orders of magnitude fewer time steps. These techniques can be used to improve the halo and matter statistics of FastPM simulations for mock catalogs of future surveys such as DESI and LSST.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Reaching new peaks for the future of the CMS HTCondor Global Pool

The CMS experiment at CERN employs a distributed computing infrastructure to satisfy its data processing and simulation needs. The CMS Submission Infrastructure team manages a dynamic HTCondor pool, aggregating mainly Grid clusters worldwide, but also HPC, Cloud and opportunistic resources. This CMS Global Pool, which currently involves over 70 computing sites worldwide and peaks at 350k CPU cores, is employed to successfully manage the simultaneous execution of up to 150k tasks. While the present infrastructure is sufficient to harness the current computing power scales, CMS latest estimates predict a noticeable expansion in the amount of CPU that will be required in order to cope with the massive data increase of the High-Luminosity LHC (HL-LHC) era, planned to start in 2027. This contribution presents the latest results of the CMS Submission Infrastructure team in exploring and expanding the scalability reach of our Global Pool, in order to preventively detect and overcome any barriers in relation to the HL-LHC goals, while maintaining high effciency in our workload scheduling and resource utilization.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Evaluating Trade-offs in Potential Exascale Interconnect Topologies

This study looks at the high-level trade-offs for interconnect architectures that are likely to be available in HPC machines in the 2021-2022 timeframe. The study uses multiple simulation models to look at the effects of varying machine size, injection bandwidth and topology for a selected set of benchmark communication patterns. The studies show the sensitivity of various applications to these network parameters. This study can help inform decisions on node size versus number of nodes, which topology is most efficient for our applications, how much injection bandwidth to provision, etc. These simulations only look at interconnects with maximally configured global bandwidth, and studies of networks configured with less will be the subject of future milestones.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1998

Computation of the Effects of Inhomogeneous Clouds on Retrieval of Remotely Sensed Properties

Current and future earth observation programs depend on satellite measurements of radiance to retrieve the properties of clouds on a global basis. At present, this retrieval is made assuming that the clouds in the instrument field of view are plane parallel and independent of adjacent pixels. While this assumption is known to be false except in very limited cases, its impact can be evaluated, and if possible corrected, based on emerging theoretical techniques. In this study, the Spherical Harmonic Discrete Ordinate Method (SHDOM, Evans, 1996) has been used to assess the sensitivity of the retrieval to a variety of cloud parameters. SHDOM allows the plane parallel assumption to be relaxed and makes 2D and even 3D radiative solutions practical. A previous study (Chambers et al., 1996) assessed the effect of horizontal inhomogeneity in 45 LANDSAT scenes of boundary layer clouds over ocean. The four scenes studied here represent overcast, broken, scattered and strongly thermally forced cloud fields and are used to perform sensitivity studies to a wider variety of parameters. Comparisons are made at three solar zenith angles (theta (sub 0) = 0, 49, and 63 degrees) to avoid ambiguity in the results due to solar zenith angle.

Chambers, Lin H.↗
DOE OSTI2018

Summer Report: Tool Integration for Variable-Precision Computing

This summer I worked in the tools group of the variable-precision computing effort at Lawrence Livermore National Laboratory (LLNL). I coordinated an integration project that combined three existing tools into a single pipeline for automated mixed-precision tuning at the source code level. This involved coordinating efforts between several different project groups and making improvements to all three tools. Two of the tools are already available publicly as open-source projects, and the third has been submitted for release. This document serves as an overview of the summer's efforts, focusing on our contributions as well as ideas for future work.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2017

NASA Enterprise Managed Cloud Computing (EMCC): Delivering an Initial Operating Capability (IOC) for NASA use of Commercial Infrastructure-as-a-Service (IaaS)

In 2016, Ames supported the NASA CIO in delivering an initial operating capability for Agency use of commercial cloud computing. This presentation provides an overview of the project, the services approach followed, and the major components of the capability that was delivered. The presentation is being given at the request of Amazon Web Services to a contingent representing the Brazilian Federal Government and Defense Organization that is interested in the use of Amazon Web Services (AWS). NASA is currently a customer of AWS and delivered the Initial Operating Capability using AWS as its first commercial cloud provider. The IOC, however, designed to also support other cloud providers in the future.

IT Governance for Cloud Computing↗
NASA NTRS1994

Human-Computer Interaction with Medical Decisions Support Systems

Decision Support Systems (DSSs) have been available to medical diagnosticians for some time, yet their acceptance and use have not increased with advances in technology and availability of DSS tools. Medical DSSs will be necessary on future long duration space missions, because access to medical resources and personnel will be limited. Human-Computer Interaction (HCI) experts at NASA's Human Factors and Ergonomics Laboratory (HFEL) have been working toward understanding how humans use DSSs, with the goal of being able to identify and solve the problems associated with these systems. Work to date consists of identification of HCI research areas, development of a decision making model, and completion of two experiments dealing with 'anchoring'. Anchoring is a phenomenon in which the decision maker latches on to a starting point and does not make sufficient adjustments when new data are presented. HFEL personnel have replicated a well-known anchoring experiment and have investigated the effects of user level of knowledge. Future work includes further experimentation on level of knowledge, confidence in the source of information and sequential decision making.

Adolf, Jurine A.↗
NASA NTRS2020

Exploring the Limits of the Data-Model-Theory Synergy: “Hot” MW Transitions for Rovibrational IR Studies

In order to further improve the accuracy of rovibrational IR line lists generated from the “Best Theory +Reliable High-resolution Experiment” (BTRHE) strategy from 0.01-0.05 cm-1, or 300-1500 MHz, to ~10 MHz, we explore the current limits of the Data-Model-Theory synergy by examining the accuracy and consistency of existing data, then propose that “hot” bands in microwave (MW) spectra is the solution we need for future enhancements. The Ames SO2 J=0-20 rovibrational energy levels computed on the semi-empirically refined Ames-2 potential energy surface (PES) are fit to the Effective Hamiltonian (EH) model regularly used in the experimental infrared (IR) analysis for SO2 isotopologues. In the fitted EH(Ames) model, the rotational constants A/B/C and all 5 quartic centrifugal distortion constants display clear, systematic, and consistent patterns along the vibrational state energy or quanta. Such consistent patterns may facilitate the vibrational assignments for MW hot bands and extract more information from high temperature MW spectra. Some EH(Expt) analyses were carried out with the lowest order Coriolis Coupling term, C1. Their constants should not be directly compared with other EH(Expt) and EH(Ames) results. After excluding them, our  = EH(Ames)- EH(Expt) analyses for 5 isotopologues (626, 636, 646, 628 and 828) indicates some loss of accuracy and consistency starting from vibrational states as low as 22 or 1000 cm-1. Some EH parameters, e.g. K, may have relative deviations as large as 50-100% and totally lose any recognizable patterns. This simply means that current EH(Expt) models do not have the system-wide consistency we need to further refine the EH(Ames) and Ames rovibrational IR line lists. A large part of such defects are probably inherited from the limited precision of experimental line positions, i.e. 1E-3 ~ 1E-4 cm-1, or 3-30 MHz. This is confirmed in a series of truncation tests using the Ames data. Although the EH(Ames) consistency may help identify unreliable rovibrational EH(Expt) parameters, and make reliable predictions for minor isotopologues and unobserved vibrational bands, we believe only the highly accurate “hot” MW transitions can provide real enhancements for EH(Expt) accuracy and consistency. “Hot” MW spectra should play a more significant role in the future synergy of Data, Model, and Theory in the field of rovibrational IR studies.

Xinchuan Huang↗
NASA NTRS1973

DORMAN computer program (study 2.5). Volume 1: Executive summary

The DORCA Applications study has been directed at development of a data bank management computer program identified as DORMAN. Because of the size of the DORCA data files and the manipulations required on that data to support analyses with the DORCA program, automated data techniques to replace time-consuming manual input generation are required. The Dynamic Operations Requirements and Cost Analysis (DORCA) program was developed for use by NASA in planning future space programs. Both programs are designed for implementation on the UNIVAC 1108 computing system. The purpose of this Executive Summary Report is to define for the NASA management the basic functions of the DORMAN program and its capabilities.

Stricker, L. T.↗
DOE OSTI2019

Computing three-point correlation function randoms counts without the randoms catalogue

ABSTRACT As we move towards future galaxy surveys, the three-point statistics will be increasingly leveraged to enhance the constraining power of the data on cosmological parameters. An essential part of the three-point function estimation is performing triplet counts of synthetic data points in random catalogues. Since triplet counting algorithms scale at best as $\mathcal {O}(N^2\log N)$ with the number of particles and the random catalogues are typically at least 50 times denser than the data; this tends to be by far the most time-consuming part of the measurements. Here, we present a simple method of computing the necessary triplet counts involving uniform random distributions through simple one-dimensional integrals. The method speeds up the computation of the three-point function by orders of magnitude, eliminating the need for random catalogues, with the simultaneous pair and triplet counting of the data points alone being sufficient.

79 ASTRONOMY AND ASTROPHYSICS↗