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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 1,153 records · Page 64

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NASA NTRS2019

Physically-Informed Artificial Neural Networks for Atomistic Modeling of Materials

A new approach is presented for the development of classical interatomic potentials using physically-informed neural networks (PINN) combined with an analytical bond-order atomic interaction model. Due to the strong physical underpinnings, the PINN potentials demonstrate much better transferability than the existing machine-learning potentials while drastically improving the accuracy in comparison with traditional potentials. PINN potentials can be constructed for both metallic and covalent materials in a unified manner. A number of applications of PINN potentials to large-scale molecular dynamics and Monte Carlo simulations and calculation of thermal and mechanical properties of diverse materials are demonstrated. Some of the specific materials systems include silicon and aluminum, as well as alloys and compounds. Computational aspects of PINN potentials are discussed and future developments in this field are outlined.

J Hickman↗

NASA NTRSDate not supplied

A Strategic Approach for Dense, Integrated, Vehicle Navigation

Drone usage has been on the rise in recent years with applications that include parcel delivery, wildlife protection, precision farming, law enforcement, and industrial inspection, just to name a few. Once regulations and safety policies are put in place to allow for the widespread use of unmanned drones, the number of aircraft in the National Airspace System (NAS) is expected to skyrocket to millions, potentially congesting the airspace which increases the likelihood of separation violations and possibly incidents. Currently, flight infrastructure can only support a few thousand aircraft flying over the United States National Airspace System (NAS) at any given time. A delay at one airport can send ripple effects throughout the system, causing more delays and missed connections. In air traffic control, separation is the concept of keeping an “ownship” aircraft outside a minimum distance from “intruder” aircraft to reduce the risk of the aircraft colliding, as well as preventing accidents due to secondary factors, such as wake turbulence. Maintaining proper separation is often a safety critical property for fixed-wing drones in the airspace. This paper addresses drone separation in time and distance for high volume corridors (en route) and lanes (on ground), merging as well as crossing intersections of multiple corridors/lanes. In this paper, the term drone is applied to both Unmanned Aerial Vehicle (UAV) and small Unmanned Aircraft System (UAS) vehicles operating autonomously. There exists a gamut of approaches to the merging and crossing problems. At one end of the extreme are the conservative yet low cost and verifiable solutions of today that deal with two drones at a time. At the other end are complex Machine Learning-based solutions with high computing requirements for fully autonomous drones of the future that are expected to handle all contentions. This paper presents a feasible and verifiable strategic approach to these problems that is based on distributed cooperation between the drones and the infrastructure. Three phases of the strategic approach (Prepare, Adjust, Commit) are presented. Simulation results are presented that show the proposed approach is stable and resilient to induced perturbations and guarantees a set of fixed-wing drones to merge and cross intersections by adjusting their speed based on their distance to the aircraft in front of them while remaining in the equilibrium state. The equilibrium state is defined as the state when a set of n aircraft move at a relatively constant speed and uniform spacing from each other in a congested system. A congested system is defined as the state when at least one aircraft cannot move at its maximum allowed speed. Unlike existing centralized and pre-planned approaches, the proposed solution is fully distributed and enables autonomous aircraft to decide to adjust their speed and distance with respect to the preceding aircraft, dynamically. Simulation results are presented that assess the feasibility of the approach.

Distributed↗

NASA NTRSDate not supplied

A Strategic Approach for Dense, Integrated, Vehicle Navigation

Distributed↗

NASA NTRSDate not supplied

A Strategic Approach for Dense, Integrated, Vehicle Navigation

Drone usage has been on the rise in recent years with applications that include parcel delivery, wildlife protection, precision farming, law enforcement, and industrial inspection, just to name a few. This paper addresses drone separation in time and distance for high volume corridors (en route) and lanes (on ground), merging as well as crossing intersections of multiple corridors/lanes. There exists a gamut of approaches to solving merging and intersection crossing problems. At one end of the extreme are the conservative yet low cost and verifiable solutions of today that deal with two drones at a time. At the other end are complex Machine Learning-based solutions with high computing requirements for fully autonomous drones of the future that are expected to handle all contentions. This paper presents a feasible and verifiable strategic approach to solving these problems that is based on distributed cooperation between the UAVs/UASs and the infrastructure. Unlike existing centralized and pre-planned approaches, the proposed solution is fully distributed and enables autonomous aircraft to decide to adjust their speed and distance with respect to the preceding aircraft, dynamically. Three phases of the strategic approach (Prepare, Adjust, Commit) are presented. Simulation results are presented that show the proposed approach is stable and resilient to induced perturbations and guarantees a set of fixed-wing UAVs/UASs to merge and cross intersections by adjusting their speed based on their distance to the aircraft in front of them.

Distributed↗

NASA NTRSDate not supplied

GPCP Version 3.2 Products and Results

The Global Precipitation Climatology Project (GPCP) products address the need for long-term precipitation products that emphasize homogeneity, following Climate Data Record (CDR) principles. The new-generation Version 3.2 provides key improvements over the operational Version 2.3 such as: finer spatial resolution of 0.5°x0.5°; wider geosynchronous infrared estimation (58°N-S) upgraded with the PERSIANN-CDR algorithm; upgraded retrievals from selected passive microwave sensors (GPROF algorithm) that calibrate the IR input; revised intercalibrations of TOVS and AIRS data (used at high latitudes); climatologies based on CloudSat, TRMM, and GPM to provide overall calibration by modern satellite estimates; the latest Global Precipitation Climatology Centre (GPCC) precipitation gauge analyses over land areas; regional modifications to the gauge undercatch correction; and IMERG half-hourly data input to the Daily V3.2 product. We will show sample analyses that demonstrate aspects of the Version 3.2 precipitation record, such as the global climatology, the time series for global land and ocean total precipitation and snowfall, and the time series of tropical land and ocean daily precipitation rate histograms. For selected analyses we will show improvements in both the Monthly and Daily products in Version 3.2 compared to the operational Version 2.3. In particular, the climatological zonal profile of precipitation in the Southern Ocean, extending south of 40°S, improves a suspected artifact in V2.3. Similarly, the Daily histograms over ocean in Version 3.2 lack the jump in the predecessor Version 1.3 Daily over ocean at the start of 2009, although a smaller jump is introduced in June 2014. The presentation will conclude with a prospectus for the future satellites/sensors and community datasets necessary to continue computation of a consistent CDR product on the one hand, while also potentially contributing to improvements in the historical record.

Global Precipitation Measurement↗

DOE OSTI2018

Beyond Hosting Capacity: Using Shortest Path Methods to Minimize Upgrade Cost Pathways: Preprint

We present in this paper a graph based forwardlooking algorithm applied to distribution planning in the context of distributed PV penetration. We study the target hosting capacity (THC) problem where the objective is to find the cheapest sequence of system upgrades to reach a predefined hosting capacity target value. We show in this paper that commonly used short-term cost minimization approaches lead most of the time to suboptimal solutions. By comparing our method against such myopic techniques on real distribution systems, we show that our algorithm is able to reduce the overall integration costs by looking at future decisions. Because hosting capacity is hard to compute, this problem requires efficient methods to search the space. We demonstrate here that heuristics using domain specific knowledge can be efficiently used to improve the algorithm performance such that real distribution systems can be studied.

14 SOLAR ENERGY↗

DOE OSTI2020

A Learning-based Supervisory Control Architecture for Electric Vehicle Charging System Paired with Energy Storages

A Machine Learning-based predictive model is developed for optimal dispatching energy storage system integrated with Electric Vehicle battery charger. The model is effectively trained using transfer learning algorithm and successfully validated via measurement data to achieve high fidelity and accuracy. The study findings provide possibilities for future development of the presented approach to implement computational heavy predictive algorithms with multi-step predictions in emerging modular bidirectional charger topologies to realize vehicle-to-grid (V2G) technology. The online tuning can be explored using the new measurements obtained during the operation, henceforth, enhancing the controller performance for integrating multiple DERs into distribution power networks that shows huge interest for the utilities and regulatory agencies. Multiple operation scenatios have been evaluated and simulation results are discussed to verify intended performance of the proposed control solution.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2022

Precision QCD, Hadronic Structure & Forward QCD, Heavy Ions: Report of Energy Frontier Topical Groups 5, 6, 7 submitted to Snowmass 2021

This report was prepared on behalf of three Energy Frontier Topical Groups of the Snowmass 2021 Community Planning Exercise. It summarizes the status and implications of studies of strong interactions in high-energy experiments and QCD theory. We emphasize the rich landscape and broad impact of these studies in the decade ahead. Hadronic interactions play a central role in the high-luminosity Large Hadron Collider (LHC) physics program, and strong synergies exist between the (HL-)LHC and planned or proposed experiments at the U.S. Electron-Ion Collider, CERN forward physics experiments, high-intensity facilities, and future TeV-range lepton and hadron colliders. Prospects for precision determinations of the strong coupling and a variety of nonperturbative distribution and fragmentation functions are examined. We also review the potential of envisioned tests of new dynamical regimes of QCD in high-energy and high-density scattering processes with nucleon, ion, and photon initial states. The important role of the high-energy heavy-ion program in studies of nuclear structure and the nuclear medium, and its connections with QCD involving nucleons are summarized. We address ongoing and future theoretical advancements in multi-loop QCD computations, lattice QCD, jet substructure, and event generators. Cross-cutting connections between experimental measurements, theoretical predictions, large-scale data analysis, and high-performance computing are emphasized.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2017

Integration of Titan supercomputer at OLCF with ATLAS Production System

The PanDA (Production and Distributed Analysis) workload management system was developed to meet the scale and complexity of distributed computing for the ATLAS experiment. PanDA managed resources are distributed worldwide, on hundreds of computing sites, with thousands of physicists accessing hundreds of Petabytes of data and the rate of data processing already exceeds Exabyte per year. While PanDA currently uses more than 200,000 cores at well over 100 Grid sites, future LHC data taking runs will require more resources than Grid computing can possibly provide. Additional computing and storage resources are required. Therefore ATLAS is engaged in an ambitious program to expand the current computing model to include additional resources such as the opportunistic use of supercomputers. In this paper we will describe a project aimed at integration of ATLAS Production System with Titan supercomputer at Oak Ridge Leadership Computing Facility (OLCF). Current approach utilizes modified PanDA Pilot framework for job submission to Titan's batch queues and local data management, with lightweight MPI wrappers to run single node workloads in parallel on Titan's multi-core worker nodes. It provides for running of standard ATLAS production jobs on unused resources (backfill) on Titan. The system already allowed ATLAS to collect on Titan millions of core-hours per month, execute hundreds of thousands jobs, while simultaneously improving Titans utilization efficiency. We will discuss the details of the implementation, current experience with running the system, as well as future plans aimed at improvements in scalability and efficiency.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

ECP ST Capability Assessment Report (CAR) for VTK-m (FY20)

The ECP/VTK-m project is providing the core capabilities to perform scientific visualization on Exascale architectures. The ECP/VTK-m project fills the critical feature gap of performing visualization and analysis on processors like graphics-based processors. The results of this project will be delivered in tools like ParaView, Vislt, and Ascent as well as in stand-alone form. Moreover, these projects are depending on this ECP effort to be able to make effective use of ECP architectures. One of the biggest recent changes in high-performance computing is the increasing use of accelerators. Accelerators contain processing cores that independently are inferior to a core in a typical CPU, but these cores are replicated and grouped such that their aggregate execution provides a very high computation rate at a much lower power. Current and future CPU processors also require much more explicit parallelism. Each successive version of the hardware packs more cores into each processor, and technologies like hyper threading and vector operations require even more parallel processing to leverage each core's full potential. VTK-m is a toolkit of scientific visualization algorithms for emerging processor architectures. VTK-m supports the fine-grained concurrency for data analysis and visualization algorithms required to drive extreme scale computing by providing abstract models for data and execution that can be applied to a variety of algorithms across many different processor architectures. The ECP/VTK-m project is building up the VTK-m codebase with the necessary visualization algorithm implementations that run across the varied hardware platforms to be leveraged at the Exascale. We will be working with other ECP projects, such as ALPINE, to integrate the new VTK-m code into production software to enable visualization on our HPC systems.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

The 2019 materials by design roadmap

Advances in renewable and sustainable energy technologies critically depend on our ability to design and realize materials with optimal properties. Materials discovery and design efforts ideally involve close coupling between materials prediction, synthesis and characterization. Increased use of computational tools, the generation of materials databases, and advances in experimental methods have substantially accelerated these activities. It is therefore an opportune time to consider future prospects for materials by design approaches. The purpose of this roadmap is to present an overview of the current state of computational materials prediction, synthesis and characterization approaches, materials design needs for various technologies, and future challenges and opportunities that must be addressed. Perspectives cover topics on computational techniques, validation, materials databases, materials informatics, high-throughput combinatorial methods, advanced characterization approaches, and materials design issues in thermoelectrics, photovoltaics, solid state lighting, catalysts, batteries, metal alloys, complex oxides and transparent conducting materials. It is our hope that this roadmap will guide researchers and funding agencies in identifying new prospects for materials design.

36 MATERIALS SCIENCE↗

DOE OSTI2025

EvoNet: A phylogenomic and systems biology approach to identify genes underlying plant survival in marginal, low‐N soils

The DOE‐BER “EvoNet” project investigates the genetic and molecular basis of plant resilience in extreme environments. We do this by identifying key genes that enable “extreme survivor” species to thrive in the nitrogen-poor soils of Chile’s hyper-arid Atacama Desert. Our collections focus on 32 Atacama extremophile species, including seven grass species with potential biofuel applications. To identify genes-of-importance to survival we compared genomic and transcriptomic profiles of extremophile species that thrive in the Atacama to those of closely related “sister” species from nitrogen-rich arid and mesic regions of California. Deep RNA sequencing and de novo transcriptome assembly across these triplet species sets supported a phylogenomic framework for identifying positively selected genes associated with adaptive divergence. Our integrative analysis combined ecological and environmental data, metagenomics, evolutionary and systems biology, and metabolomics. This enabled us to create an unprecedented framework for systematically understanding how non-model plants have adapted to survive in extreme conditions. Our resulting database of positively selected ortholog groups in the extremophile plants offers promising targets for engineering crop and biofuel species with enhanced resilience to drought and extreme weather. Additionally, our newest dataset explores and exploits a complementary metabolomic approach. This new aspect provides innovative strategies to manipulate plant cell metabolism, further supporting efforts to improve agricultural productivity in the face of extreme climates. Importantly, our combined evolutionary- and metabolomic-based strategies focused on convergent patterns of adaptation, providing a genetic and metabolomic toolkit for improving crop and biofuel resilience across diverse plant species. Finally, our novel exploration of ecological and evolutionary dynamics delivered to the community a phylogenomic computational pipeline called “PhyloGeneious.” Our continued adaptations of this pipeline are publicly available to expedite evolutionary genomic research for future scientific discoveries. In total, our DOE-BER has provided genomic, metabolomic, and computational strategies to understand how extremophile plants provide evolutionary and physiological targets for improving agricultural and biofuel production.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1989

Reuse research plans at Langley Research Center

The reuse activities at Langley have centered on the development of the Eli System by SPS. The development of a computer systems design environment at Langley was described as a target application for the future Eli system. This environment combines software development tools with an architecture design and analysis tool. Specifically, a Computer-Aided Software Engineering (CASE) system, under development at Charles Stark Draper Laboratory for Langley, is being used to generate Ada code for use in architecture functional simulations using the Architecture Design and Assessment System (ADAS). The Eli system will be included in this tool set and will be used to organize and promote reuse of the functional simulation code modules.

Voigt, Susan J.↗

DOE OSTI2016

Sensitivity-Uncertainty Based Nuclear Criticality Safety Validation

These are slides from a seminar given to the University of Mexico Nuclear Engineering Department. Whisper is a statistical analysis package developed to support nuclear criticality safety validation. It uses the sensitivity profile data for an application as computed by MCNP6 along with covariance files for the nuclear data to determine a baseline upper-subcritical-limit for the application. Whisper and its associated benchmark files are developed and maintained as part of MCNP6, and will be distributed with all future releases of MCNP6. Although sensitivity-uncertainty methods for NCS validation have been under development for 20 years, continuous-energy Monte Carlo codes such as MCNP could not determine the required adjoint-weighted tallies for sensitivity profiles. The recent introduction of the iterated fission probability method into MCNP led to the rapid development of sensitivity analysis capabilities for MCNP6 and the development of Whisper. Sensitivity-uncertainty based methods represent the future for NCS validation – making full use of today’s computer power to codify past approaches based largely on expert judgment. Validation results are defensible, auditable, and repeatable as needed with different assumptions and process models. The new methods can supplement, support, and extend traditional validation approaches.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1987

Computational unsteady aerodynamics for aeroelastic analysis

This report summarizes the status of computational unsteady aerodynamics methods for aeroelastic analysis and makes recommendations for future research activities. The flight conditions for which various types of flows exist are described and the aeroelastic phenomena that can occur in those flight regimes are discussed. Some important aeroelastic problems of current interest are described, and the aerodynamic methods needed to analyze them are presented. The capabilities and limitations of existing unsteady aerodynamics methods are discussed. Computer resources required to perform aeroelastic analysis of various flight vehicle configurations are presented. Recommendations for future research are made, and schedules for completion of proposed research tasks are presented.

Whitlow, Woodrow, Jr.↗

DOE OSTI2021

Searching for metastable particles using graph computing

The reconstruction of charged particle trajectories at the Large Hadron Collider and future colliders relies on energy depositions in sensors placed at distances ranging from a centimeter to a meter from the colliding beams. We propose a method of detecting charged particles that decay invisibly after traversing a short distance of about 25 cm inside the experimental apparatus. One of the decay products may constitute the dark matter known to be 84% of all matter at galactic and cosmological distance scales. Our method uses graph computing to cluster spacepoints recorded by two-dimensional silicon pixel sensors into mathematically-defined patterns. The algorithm may be implemented on silicon-based integrated circuits using field-programmable gate array technology to augment or replace traditional computing platforms.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Position Papers for the 2024 ASCR Workshop on Energy-Efficient Computing for Science

On behalf of the Advanced Scientific Computing Research (ASCR) program in the US Department of Energy (DOE) Office of Science, we are organizing a Workshop on Energy-Efficient Computing for Science (EECS). Energy efficiency involves coordination across all the interoperating components of a computing system—in particular, applications, algorithms, system software, programming models, data management, and the hardware on which they run. Looking 10-15 years into the future, the goal is to dramatically lower the energy costs of the computational platforms (from the data center to the edge) serving DOE science while expanding the capabilities of these systems, broadening their applicability to science challenges of interest to DOE and the nation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2022

Fast and flexible analysis of direct dark matter search data with machine learning

We present the results from combining machine learning with the profile likelihood fit procedure, using data from the Large Underground Xenon (LUX) dark matter experiment. This approach demonstrates reduction in computation time by a factor of 30 when compared with the previous approach, without loss of performance on real data. We establish its flexibility to capture non-linear correlations between variables (such as smearing in light and charge signals due to position variation) by achieving equal performance using pulse areas with and without position-corrections applied. Its efficiency and scalability furthermore enables searching for dark matter using additional variables without significant computational burden. We demonstrate this by including a light signal pulse shape variable alongside more traditional inputs such as light and charge signal strengths. Furthermore, this technique can be exploited by future dark matter experiments to make use of additional information, reduce computational resources needed for signal searches and simulations, and make inclusion of physical nuisance parameters in fits tractable.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗