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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 109 records · Page 6

Aimsgb: An algorithm and open-source python library to generate periodic grain boundary structures

An algorithm implemented in an open-source python library was developed for building periodic grain boundary models in a universal fashion. The software framework, aimsgb, aims to generate tilt and twist grain boundaries from an input cubic or non-cubic crystal structure for ab-initio and classical atomistic simulation. It can output a coincidence site lattice (CSL) grain boundary for a cubic input structure and a non-CSL grain boundary for a non-cubic input structure. This framework has two useful features: (i) it can calculate all the CSL matrices for generating CSL from a given Sigma (Σ) value and rotation axis, allowing the users to build the specific CSL and grain boundary models; (ii) it provides a convenient command line tool to enable high-throughput generation of tilt and twist grain boundaries by assigning an input crystal structure, Σ value, rotation axis, and grain boundary plane. Here, the developed algorithm in the open-source python library is expected to facilitate studies of grain boundary in materials science. The software framework is available on the website: aimsgb.org.

97 MATHEMATICS AND COMPUTING↗

Multiphysics Simulations: Challenges and Opportunities

We consider multiphysics applications from algorithmic and architectural perspectives, where ‘‘algorithmic’’ includes both mathematical analysis and computational complexity, and ‘‘architectural’’ includes both software and hardware environments. Many diverse multiphysics applications can be reduced, en route to their computational simulation, to a common algebraic coupling paradigm. Mathematical analysis of multiphysics coupling in this form is not always practical for realistic applications, but model problems representative of applications discussed herein can provide insight. A variety of software frameworks for multiphysics applications have been constructed and refined within disciplinary communities and executed on leading-edge computer systems. We examine several of these, expose some commonalities among them, and attempt to extrapolate best practices to future systems. From our study, we summarize challenges and forecast opportunities.

Keyes, David↗

Using CCSDS Standards to Reduce Mission Costs

NASA's open source Core Flight System (cFS) software framework has been using several Consultative Committee for Space Data Systems (CCSDS) standards since its inception. Recently developed CCSDS standards are now being applied by NASA, ESA and other organizations to streamline and automate aspects of mission development, test, and operations, speeding mission schedules and reducing mission costs. This paper will present the new CCSDS Spacecraft Onboard Interfaces Services (SOIS) Electronic Data Sheet (EDS) standards and show how they are being applied to data interfaces in the cFS software framework, tool chain, and ground systems across a range of missions at NASA. Although NASA is focusing on the cFS, it expected that these technologies are well suited for use in other system architectures and can lower costs for a wide range of both large and small satellites.

Wilmot, Jonathan↗

Fermilab's controls development with virtual accelerator

Control Systems development is often the last thing considered when designing and building new equipment, e.g. a new detector or superconducting RF LINAC; however when the new equipment is installed, it is the first thing desired to be operational for testing. Due to frequent delays in building new equipment and project deadlines, control system development and testing is often curtailed. A way to alleviate this problem is to simulate the control system, though this will be challenging for complex systems.The Fermilab PIP-II (proton improvement plan - II) project is being constructed at Fermilab to deliver $800\,MeV$ protons of $>1\,MW$ beam power to replace the present LINAC for the remainder of the existing accelerator complex. The new LINAC consists of a warm front end (WFE), 23 superconducting RF cryomodules (of 5 types), and a beam transfer line (BTL) to the existing complex.The accelerator physics group has a parallel project to create a digital twin (DT) of the PIP-II accelerator. We have coupled the EPICS controls to this DT and are developing both the DT and EPICS software in parallel. This will allow us to develop the EPICS software framework, the HMIs, sequences, high level physics applications, and other services for use in a fully functional control system.This presentation will detail the work that we have performed to date and show demonstrations of controlling and monitoring the status of the accelerator, as well as future plans for this work.

Hanlet, Pierrick [Fermilab]↗

Node failure resiliency for Uintah without checkpointing

The frequency of failures in upcoming exascale supercomputers may well be greater than at present due to many-core architectures if component failure rates remain unchanged. This potential increase in failure frequency coupled with I/O challenges at exascale may prove problematic for current resiliency approaches such as checkpoint restarting, although the use of fast intermediate memory may help. Algorithm-Based Fault Tolerance (ABFT) using Adaptive Mesh Refinement (AMR) is one resiliency approach used to address these challenges. For adaptive mesh codes, a coarse mesh version of the solu- tion may be used to restore the fine mesh solution. This paper addresses the implementation of the ABFT approach within the Uintah software framework: both at a software level within Uintah and in the data reconstruction method used for the recovery of lost data. This method has two problems: inaccuracies introduced during the reconstruction propagate forward in time, and the physical consistency of variables such as positivity or boundedness may be violated during interpolation. These challenges can be addressed by the combination of two techniques: 1. a fault-tolerant MPI implementation to recover from runtime node failures, and 2. high-order interpolation schemes to preserve the physical solution and reconstruct lost data. Here, the approach considered here uses a "Limited Essentially Non-Oscillatory" (LENO) scheme along with AMR to rebuild the lost data without checkpointing using Uintah. Experiments were carried out using a fault-tolerant MPI - ULFM to recover from runtime failure, and LENO to recover data on patches belonging to failed ranks, while the simulation was continued to the end. Results show that this ABFT approach is up to 10x faster than the traditional checkpointing method. The new interpolation approach is more accurate than linear interpolation and not subject to the overshoots found in other interpolation methods.

97 MATHEMATICS AND COMPUTING↗

Control and Information Systems for the National Ignition Facility

Orchestration of every National Ignition Facility (NIF) shot cycle is managed by the Integrated Computer Control System (ICCS), which uses a scalable software architecture running code on more than 1950 front-end processors, embedded controllers, and supervisory servers. The ICCS operates laser and industrial control hardware containing 66 000 control and monitor points to ensure that all of NIF’s laser beams arrive at the target within 30 ps of each other and are aligned to a pointing accuracy of less than 50 μm root-mean-square, while ensuring that a host of diagnostic instruments record data in a few billionths of a second. NIF’s automated control subsystems are built from a common object-oriented software framework that distributes the software across the computer network and achieves interoperation between different software languages and target architectures. A large suite of business and scientific software tools supports experimental planning, experimental setup, facility configuration, and post-shot analysis. Standard business services using open-source software, commercial workflow tools, and database and messaging technologies have been developed. An information technology infrastructure consisting of servers, network devices, and storage provides the foundation for these systems. Thus, this work is an overview of the control and information systems used to support a wide variety of experiments during the National Ignition Campaign.

42 ENGINEERING↗

A framework for software fault tolerance in real-time systems

A classification scheme for errors and a technique for the provision of software fault tolerance in cyclic real-time systems is presented. The technique requires that the process structure of a system be represented by a synchronization graph which is used by an executive as a specification of the relative times at which they will communicate during execution. Communication between concurrent processes is severely limited and may only take place between processes engaged in an exchange. A history of error occurrences is maintained by an error handler. When an error is detected, the error handler classifies it using the error history information and then initiates appropriate recovery action.

Anderson, T.↗

Point Source Likelihood Framework (psl) v1.0

PSL is a software framework for localizing radiation point sources in a 3D environment using a freely moving radiation detector system. The framework assumes a single point source of radiation is in the environment and uses known detector positions and orientations along with their radiation measurements to find the most likely location of the point source. This approach to the problem enables analyses that improve upon the capability of a standard Maximum Likelihood Expectation Maximization (MLEM) approach, such as setting a source detection threshold, finding a likelihood interval for the position of the source, finding a likelihood interval for the activity (intensity) of the source, determining whether more than one point source may be present, and generating a map of Minimum Detectable Activity (MDA) for a given source type. Applications include radiological and nuclear security, consequence management, decontamination and decommissioning of nuclear facilities, and radiological emergency response.

Joshi, Tenzing↗

RTC: a distributed realtime control system toolkit

The Jet Propulsion Laboratory (JPL) has built several optical interferometers using a common software framework developed for this purpose. The heart of this framework is the Realtime Control (RTC) software product. RTC has evolved from its initial implementation to include a powerful dynamic configuration capability and to use Common Object Request Broker Architecture (CORBA) technology for commanding and telemetry. This paper describes the current implementation of this toolkit.

RTC↗

Trilinos: Enabling Scientific Computing across Diverse Hardware Architectures at Scale

Trilinos is a community-developed, open-source software framework that facilitates building large-scale, complex, multiscale, multiphysics simulation code bases for scientific and engineering problems. Since the Trilinos framework has undergone substantial changes to support new applications and new hardware architectures, this document is an update to “An Overview of the Trilinos project” by Heroux et al. (ACM Transactions on Mathematical Software, 31(3):397–423, 2005). It describes the design of Trilinos, introduces its new organization in product areas, and highlights established and new features available in Trilinos. Particular focus is put on the modernized software stack based on the Kokkos ecosystem to deliver performance portability across heterogeneous hardware architectures. This article also outlines the organization of the Trilinos community and the contribution model to help onboard interested users and contributors.

Heterogeneous Hardware Architectures↗

Framework for Adaptable Operating and Runtime Systems (Final Project Report)

In this grant, we examined a wide range of techniques for constructing high-performance con gurable system software for HPC systems and its application to DOE-relevant problems. Overall, research and development on this project focused in three specifc areas: (1) software frameworks for constructing and deploying con gurable system software, (2) applcation of these frameworks to HPC-oriented adaptable networking software, (3) performance analysis of HPC system software to understand opportunities for performance optimization.

97 MATHEMATICS AND COMPUTING↗

MO-FG-BRA-01: Development of An Image-Guided Dosimetric Planning System for Injectable Brachytherapy Using ELP Nanoparticles

Purpose: To develop, validate, and evaluate a methodology for determining dosimetry for intratumoral injections of elastin-like-polypeptide (ELP) brachytherapy nanoparticles. These organic-polymer-based nanoparticles are injectable, biodegradable, and genetically tunable. We present a genetically encoded polymer-solution, composed of novel radiolabeled-ELP nanoparticles that are custom-designed to self-assemble into a local source upon intratumoral injection. Our preliminary results of a small animal study demonstrate 100% tumor response, effective radionuclide retention-rates, strong in vivo stability, and no polymer-induced toxicities. While our approach is therefore highly promising for improved brachytherapy, the current workflow lacks a dosimetry framework. Methods: We are developing a robust software framework that provides image-guided dosimetric-planning capabilities for ELP brachytherapy. The user graphically places ELP injection sites within a µCT-planning-image, and independently defines each injection volume, concentration, and radioisotope to be used. The resulting internal dosimetry is then pre-determined by first modeling post-injection ELP advection-diffusion, and then calculating the resulting dose distribution based on a point- dose-kernel-convolution algorithm. We have experimentally measured ELP steady-state concentrations via µSPECT acquisition, and validated our dose calculation algorithm against Monte Carlo simulations of several radioactivity distributions. Finally, we have investigated potential advantages and limitations of various ELP injection parameters. Results: The µSPECT results demonstrated inhomogeneous steady-state distributions of ELP in tissue, and Monte Carlo radioactivity distributions were designed accordingly. Our algorithm yielded a root-mean-square-error of less than 2% for each distribution tested (average root-mean-square-error was 0.73%). Dose-Volume-Histogram analysis of five different plans showed how strategic injection placement, and an injection volume-tapering technique, could be used to achieve D95% target coverage. Conclusion: We have preliminarily developed a novel planning framework for ELP brachytherapy. Its dosimetry accuracy has been validated against Monte Carlo, and we have started to investigate the potential advantages of injection-based planning. This system, once fully developed, will serve as the technical foundation for our novel approach.

60 APPLIED LIFE SCIENCES↗

NASA Tech Briefs, March 2005

Topics covered include: Scheme for Entering Binary Data Into a Quantum Computer; Encryption for Remote Control via Internet or Intranet; Coupled Receiver/Decoders for Low-Rate Turbo Codes; Processing GPS Occultation Data To Characterize Atmosphere; Displacing Unpredictable Nulls in Antenna Radiation Patterns; Integrated Pointing and Signal Detector for Optical Receiver; Adaptive Thresholding and Parameter Estimation for PPM; Data-Driven Software Framework for Web-Based ISS Telescience; Software for Secondary-School Learning About Robotics; Fuzzy Logic Engine; Telephone-Directory Program; Simulating a Direction-Finder Search for an ELT; Formulating Precursors for Coating Metals and Ceramics; Making Macroscopic Assemblies of Aligned Carbon Nanotubes; Ball Bearings Equipped for In Situ Lubrication on Demand; Synthetic Bursae for Robots; Robot Forearm and Dexterous Hand; Making a Metal-Lined Composite-Overwrapped Pressure Vessel; Ex Vivo Growth of Bioengineered Ligaments and Other Tissues; Stroboscopic Goggles for Reduction of Motion Sickness; Articulating Support for Horizontal Resistive Exercise; Modified Penning-Malmberg Trap for Storing Antiprotons; Tumbleweed Rovers; Two-Photon Fluorescence Microscope for Microgravity Research; Biased Randomized Algorithm for Fast Model-Based Diagnosis; Fast Algorithms for Model-Based Diagnosis; Simulations of Evaporating Multicomponent Fuel Drops; Formation Flying of Tethered and Nontethered Spacecraft; and Two Methods for Efficient Solution of the Hitting- Set Problem.

Source record↗

ERF: Energy Research and Forecasting

The Energy Research and Forecasting (ERF) code is a new model that simulates the mesoscale and microscale dynamics of the atmosphere using the latest high-performance computing architectures. It employs hierarchical parallelism using an MPI+X model, where X may be OpenMP on multicore CPU-only systems, or CUDA, HIP, or SYCL on GPU-accelerated systems. ERF is built on AMReX (Zhang et al., 2019, 2021), a block-structured adaptive mesh refinement (AMR) software framework that provides the underlying performance-portable software infrastructure for block-structured mesh operations. The "energy" aspect of ERF indicates that the software has been developed with renewable energy applications in mind. In addition to being a numerical weather prediction model, ERF is designed to provide a flexible computational framework for the exploration and investigation of different physics parameterizations and numerical strategies, and to characterize the flow field that impacts the ability of wind turbines to extract wind energy. The ERF development is part of a broader effort led by the US Department of Energy's Wind Energy Technologies Office.

17 WIND ENERGY↗