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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 703 records · Page 39

Diverse Super-Resolution (diversity_SR) [SWR-21-60]

Deep learning tools for enhancing the spatial resolution of wind data. The software is developed in Python using the TensorFlow deep learning package. Models for diversity super-resolution is provided. Included in the package are pretrained models with example code/data to perform the super-resolution as well as tools of training models for different enhancement- or data-types. The super-resolution is an inherently ill-conditioned problem, with multiple high-resolution fields plausibly mapping to the same coarse field. Considitional GANs provide a framework for generating a distribution of high-resolution realizations from a given low-resolution input. Stochastic estimation is used to inform the network of the expected degree and location of sub-grid diversity. The package includes a pretrained network to generate distributions of 10x-enhanced fields of wind data.

Glaws, Andrew↗

Extending the Remote Control Capabilities in the CMS Detector Control System with Remote Procedure Call Services

The CMS Detector Control System (DCS) is implemented as a large distributed and redundant system, with applications interacting and sharing data in multiple ways. The CMS XML-RPC is a software toolkit implementing the standard Remote Procedure Call (RPC) protocol, using the Extensible Mark-up Language (XML) and a custom lightweight variant using the JavaScript Object Notation (JSON) to model, encode and expose resources through the Hypertext Transfer Protocol (HTTP). The CMS XML-RPC toolkit complies with the standard specification of the XML-RPC protocol that allows system developers to build collaborative software architectures with self-contained and reusable logic, and with encapsulation of well-defined processes. The implementation of this protocol introduces not only a powerful communication method to operate and exchange data with web-based applications, but also a new programming paradigm to design service-oriented software architectures within the CMS DCS domain. This paper presents details of the CMS XML-RPC implementation in WinCC Open Architecture (OA) Control Language using an object-oriented approach.

43 PARTICLE ACCELERATORS↗

Assembly and Initial Testing of the Gamma-Ray Emission Tomography Assessment Prototype for Irradiated Fuel

The following report documents the final development, assembly, and initial testing of the gamma-ray emission tomography assessment system (GRETA-1) for post-irradiation examination of irradiated fuel. It includes descriptions of the system components, including the high-purity germanium gamma-ray detector, the surrounding shield and collimator, the sample scanning hardware, and the control and collection software package. A series of MCNP6 simulations were performed that modeled a fuel rod scan to test image reconstruction algorithms with a complex and understood source distribution. A bench-top scan of isotopic check sources was also performed and analyzed using standard image reconstruction algorithms. The system is currently awaiting deployment at Idaho National Laboratory’s Hot Fuel Examination Facility.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗

Production of BaBar Skimmed Analysis Datasets Using the Grid

The BABAR Collaboration, based at Stanford Linear Accelerator Center (SLAC), Stanford, US, has been performing physics reconstruction, simulation studies and data analysis for 8 years using a number of compute farms around the world. Recent developments in Grid technologies could provide a way to manage the distributed resources in a single coherent structure. We describe enhancements to the BABAR experiment's distributed skimmed dataset production system to make use of European Grid resources and present the results with regard to BABAR's latest cycle of skimmed dataset production. We compare the benefits of a local and Grid-based systems, the ease with which the system is managed and the challenges of integrating the Grid with legacy software. We compare job success rates and manageability issues between Grid and non-Grid production.

43 PARTICLE ACCELERATORS↗

MRDIS Standalone Central Alarm Station

The MRDIS Standalone Central Alarm Station(MRDIS-CAS} is a software system for receiving, storing, and reviewing radiation data collected by the Mobile Radiation Detection and Identification System (MRDIS}, a mobile radiation scanning system developed for use in foreign ports for the DOE Megaports Initiative. It is designed to run on one of the on board computers in the MRDIS cab. It will collect, store, and display data from the MRDIS without the need for wireless communications or centralized server technology. It is intended to be a lightweight replacement for a distributed Megaports communication system in ports where the necessary communications infrastructure does not exist for a full Megaports communications system.

Source record↗

How to Build a Quantum Supercomputer: Scaling from Hundreds to Millions of Qubits

In the span of four decades, quantum computation has evolved from an intellectual curiosity to a potentially realizable technology. Today, small-scale demonstrations have become possible for quantum algorithmic primitives on hundreds of physical qubits and proof-of-principle error-correction on a single logical qubit. Nevertheless, despite significant progress and excitement, the path toward a full-stack scalable technology is largely unknown. There are significant outstanding quantum hardware, fabrication, software architecture, and algorithmic challenges that are either unresolved or overlooked. These issues could seriously undermine the arrival of utility-scale quantum computers for the foreseeable future. Here, we provide a comprehensive review of these scaling challenges. We show how the road to scaling could be paved by adopting existing semiconductor technology to build much higher-quality qubits, employing system engineering approaches, and performing distributed quantum computation within heterogeneous high-performance computing infrastructures. These opportunities for research and development could unlock certain promising applications, in particular, efficient quantum simulation/learning of quantum data generated by natural or engineered quantum systems. To estimate the true cost of such promises, we provide a detailed resource and sensitivity analysis for classically hard quantum chemistry calculations on surface-code error-corrected quantum computers given current, target, and desired hardware specifications based on superconducting qubits, accounting for a realistic distribution of errors. Furthermore, we argue that, to tackle industry-scale classical optimization and machine learning problems in a cost-effective manner, heterogeneous quantum-probabilistic computing with custom-designed accelerators should be considered as a complementary path toward scalability.

Mohseni, Masoud↗

Web servers and services for electrostatics calculations with APBS and PDB2PQR

APBS and PDB2PQR are widely utilized free software packages for biomolecular electrostatics calculations. Using the Opal toolkit, we have developed a web services framework for these software packages that enables the use of APBS and PDB2PQR by users who do not have local access to the necessary amount of computational capabilities. This not only increases accessibility of the software to a wider range of scientists, educators, and students but it also increases the availability of electrostatics calculations on portable computing platforms. Users can access this new functionality in two ways. First, an Opal-enabled version of APBS is provided in current distributions, available freely on the web. Second, we have extended the PDB2PQR web server to provide an interface for the setup, execution, and visualization electrostatics potentials as calculated by APBS. This web interface also uses the Opal framework which ensures the scalability needed to support the large APBS user community. Both of these resources are available from the APBS/PDB2PQR website: http://www.poissonboltzmann.org/.

99 GENERAL AND MISCELLANEOUS↗

Emittance study of a 28 GHz electron cyclotron resonance ion source for the Rare Isotope Science Project superconducting linear accelerator

A 28 GHz electron cyclotron resonance (ECR) ion source is being developed for use as an injector for the superconducting linear accelerator of the Rare Isotope Science Project. Beam extraction from the ECR ion source has been simulated using the KOBRA3-INP software. The simulation software can calculate charged particle trajectories in three dimensional complex magnetic field structures, which in this case are formed by the arrangement of five superconducting magnets. In this study, the beam emittance is simulated to understand the effects of plasma potential, mass-to-charge ratio, and spatial distribution. The results of these simulations and their comparison to experimental results are presented in this paper.

43 PARTICLE ACCELERATORS↗

Development of Lightweight Structural Materials with Improved Properties for Fission Batteries

The notion of a “fission battery” conveys a vision focused on realizing very simple “plug-and-play” nuclear systems that can be integrated into a variety of applications requiring affordable, reliable energy in the form of electricity and/or heat and function without operations and maintenance staff. Fission batteries require lightweight structural materials to increase their mobility, and the lightweight materials must demonstrate structural resilience under various conditions. The objective of this work is to develop lattice structured lightweight structural material featuring a good combination of mechanical properties using advanced modeling and simulation together with an advanced additive manufacturing technique such as laser powder bed fusion. The preliminary results show that different lattice structures and types can be successfully meshed using nTopology software, and the lattice structure data can be successfully transformed to Multiphysics Object-Oriented Simulation (MOOSE) Environment input. Finite Element Analysis (FEA) displays that, at macro/engineering scale simulation, the weight saving design has an obvious effect on tensile behavior such as effective elastic modulus and yield stress. The novel approaches of this work are (1) development of lattice structures for improved mechanical properties using advanced simulation and modeling techniques; and (2) model predictions of the mechanical properties (e.g., strength and stress distribution) of macroscopic materials in order to preliminarily select a lattice structure for additive manufacturing.

36 MATERIALS SCIENCE↗

COMPUTER-AIDED LATTICE DESIGN AND ADVANCED MODELING FOR THE DEVELOPMENT OF LIGHTWEIGHT STRUCTURAL MATERIALS

The notion of a “fission battery” conveys a vision focused on realizing very simple “plug-and-play” nuclear systems that can be integrated into a variety of applications requiring affordable, reliable energy in the form of electricity and/or heat and function without operations and maintenance staff. Fission batteries require lightweight structural materials to increase their mobility, and the lightweight materials must demonstrate structural resilience under various conditions. The objective of this work is to develop lattice structured lightweight structural material featuring a good combination of mechanical properties using advanced modeling and simulation together with an advanced additive manufacturing technique such as laser powder bed fusion. The preliminary results show that different lattice structures and types can be successfully meshed using nTopology software, and the lattice structure data can be successfully transformed to Multiphysics Object-Oriented Simulation (MOOSE) Environment input. Finite Element Analysis (FEA) displays that, at macro/engineering scale simulation, the weight saving design has an obvious effect on tensile behavior such as effective elastic modulus and yield stress. The novel approaches of this work are (1) development of lattice structures for improved mechanical properties using advanced simulation and modeling techniques; and (2) model predictions of the mechanical properties (e.g., strength and stress distribution) of macroscopic materials in order to preliminarily select a lattice structure for additive manufacturing.

36 MATERIALS SCIENCE↗

SU-E-J-72: Geant4 Simulations of Spot-Scanned Proton Beam Treatment Plans

Purpose: To evaluate density inhomogeneities which can effect dose distributions for real-time image gated spot-scanning proton therapy (RGPT), a dose calculation system, using treatment planning system VQA (Hitachi Ltd., Tokyo) spot position data, was developed based on Geant4. Methods: A Geant4 application was developed to simulate spot-scanned proton beams at Hokkaido University Hospital. A CT scan (0.98 × 0.98 × 1.25 mm) was performed for prostate cancer treatment with three or four inserted gold markers (diameter 1.5 mm, volume 1.77 mm3) in or near the target tumor. The CT data was read into VQA. A spot scanning plan was generated and exported to text files, specifying the beam energy and position of each spot. The text files were converted and read into our Geant4-based software. The spot position was converted into steering magnet field strength (in Tesla) for our beam nozzle. Individual protons were tracked from the vacuum chamber, through the helium chamber, steering magnets, dose monitors, etc., in a straight, horizontal line. The patient CT data was converted into materials with variable density and placed in a parametrized volume at the isocenter. Gold fiducial markers were represented in the CT data by two adjacent voxels (volume 2.38 mm3). 600,000 proton histories were tracked for each target spot. As one beam contained about 1,000 spots, approximately 600 million histories were recorded for each beam on a blade server. Two plans were considered: two beam horizontal opposed (90 and 270 degree) and three beam (0, 90 and 270 degree). Results: We are able to convert spot scanning plans from VQA and simulate them with our Geant4-based code. Our system can be used to evaluate the effect of dose reduction caused by gold markers used for RGPT. Conclusion: Our Geant4 application is able to calculate dose distributions for spot scanned proton therapy.

07 ISOTOPE AND RADIATION SOURCES↗

Real-Time Testbed for Studying Cyberattacks and Defense in DER-integrated Smart Inverter Systems

In this paper, we propose a Hardware-in-the-Loop (HIL) simulation testbed suitable for the implementation and testing of realistic cyberattacks on grid-tied smart inverter systems integrated with Distributed Energy Resources (DER) that use the Distributed Network Protocol-3 (DNP3) protocol for communications between grid components. Specifically, our testbed combines a Real-Time Digital Simulator (RTDS) NovaCor device, outfitted with GNETx2 network interface cards, a gridtied DER topology implemented via the RTDS software package RSCAD, and a custom virtual network that emulates a man in the middle attacker. The Man-in-the-Middle (MITM) attacker captures DNP3 traffic and falsifies telemetry data in DNP3 packets to trigger unwarranted commands from a DNP3 controller that exploit smart inverter grid support functions. We choose DNP3 and implement grid support functions according to the IEEE Std. 1547-2018 mandated for the interconnection and interoperability of DER power systems with associated power components. Furthermore, we develop a protocol payload agnostic attack detection framework that leverages the round-trip time (RTT) anomalies between DNP3 requests and responses and can detect the presence of attacks without having to analyze the payload’s contents, while balancing trade-offs between false alarm counts, missed detections, and time to detection. To facilitate further research, we publicly release benign and attack network traffic exchanged between various sensors, controllers, and actuators in our grid-tied inverter testbed.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Involute Working Group – Development and Validation of the Finite Element Models of the Cheverton-Kelley Experiments

In an involute-plate reactor, the fuel plates and side-plates are subjected to a non-uniform distribution of loads. Temperature variation derives from a variation in power distribution throughout the core. Due to small imperfections in the channel thickness, the coolant flowing in between the plates produces pressure differentials with a non-uniform distribution on the plate surface. The main goal of the analysis presented in this technical report is to investigate the ability of the commercial software STAR-CCM+ to model deformation of involute plates subjected to mechanical and thermal loads, representative of involute reactor operation conditions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Scaling neural simulations in STACS

Abstract As modern neuroscience tools acquire more details about the brain, the need to move towards biological-scale neural simulations continues to grow. However, effective simulations at scale remain a challenge. Beyond just the tooling required to enable parallel execution, there is also the unique structure of the synaptic interconnectivity, which is globally sparse but has relatively high connection density and non-local interactions per neuron. There are also various practicalities to consider in high performance computing applications, such as the need for serializing neural networks to support potentially long-running simulations that require checkpoint-restart. Although acceleration on neuromorphic hardware is also a possibility, development in this space can be difficult as hardware support tends to vary between platforms and software support for larger scale models also tends to be limited. In this paper, we focus our attention on Simulation Tool for Asynchronous Cortical Streams (STACS), a spiking neural network simulator that leverages the Charm++ parallel programming framework, with the goal of supporting biological-scale simulations as well as interoperability between platforms. Central to these goals is the implementation of scalable data structures suitable for efficiently distributing a network across parallel partitions. Here, we discuss a straightforward extension of a parallel data format with a history of use in graph partitioners, which also serves as a portable intermediate representation for different neuromorphic backends. We perform scaling studies on the Summit supercomputer, examining the capabilities of STACS in terms of network build and storage, partitioning, and execution. We highlight how a suitably partitioned, spatially dependent synaptic structure introduces a communication workload well-suited to the multicast communication supported by Charm++. We evaluate the strong and weak scaling behavior for networks on the order of millions of neurons and billions of synapses, and show that STACS achieves competitive levels of parallel efficiency.

59 BASIC BIOLOGICAL SCIENCES↗

Regional-scale fault-to-structure earthquake simulations with the EQSIM framework: Workflow maturation and computational performance on GPU-accelerated exascale platforms

Continuous advancements in scientific and engineering understanding of earthquake phenomena, combined with the associated development of representative physics-based models, is providing a foundation for high-performance, fault-to-structure earthquake simulations. However, regional-scale applications of high-performance models have been challenged by the computational requirements at the resolutions required for engineering risk assessments. The EarthQuake SIMulation (EQSIM) framework, a software application development under the US Department of Energy (DOE) Exascale Computing Project, is focused on overcoming the existing computational barriers and enabling routine regional-scale simulations at resolutions relevant to a breadth of engineered systems. This multidisciplinary software development—drawing upon expertise in geophysics, engineering, applied math and computer science—is preparing the advanced computational workflow necessary to fully exploit the DOE’s exaflop computer platforms coming online in the 2023 to 2024 timeframe. Achievement of the computational performance required for high-resolution regional models containing upward of hundreds of billions to trillions of model grid points requires numerical efficiency in every phase of a regional simulation. This includes run time start-up and regional model generation, effective distribution of the computational workload across thousands of computer nodes, efficient coupling of regional geophysics and local engineering models, and application-tailored highly efficient transfer, storage, and interrogation of very large volumes of simulation data. This article summarizes the most recent advancements and refinements incorporated in the workflow design for the EQSIM integrated fault-to-structure framework, which are based on extensive numerical testing across multiple graphics processing unit (GPU)-accelerated platforms, and demonstrates the computational performance achieved on the world’s first exaflop computer platform through representative regional-scale earthquake simulations for the San Francisco Bay Area in California, USA.

58 GEOSCIENCES↗

Heterogeneous scalable framework for multiphase flows

Two categories of challenges confront the developer of computational spray models: those related to the computation and those related to the physics. Regarding the computation, the trend towards heterogeneous, multi- and many-core platforms will require considerable re-engineering of codes written for the current supercomputing platforms. Regarding the physics, accurate methods for transferring mass, momentum and energy from the dispersed phase onto the carrier fluid grid have so far eluded modelers. Significant challenges also lie at the intersection between these two categories. To be competitive, any physics model must be expressible in a parallel algorithm that performs well on evolving computer platforms. This work created an application based on a software architecture where the physics and software concerns are separated in a way that adds flexibility to both. The develop spray-tracking package includes an application programming interface (API) that abstracts away the platform-dependent parallelization concerns, enabling the scientific programmer to write serial code that the API resolves into parallel processes and threads of execution. The project also developed the infrastructure required to provide similar API s to other application. The API allow object-oriented Fortran applications direct interaction with Trilinos to support memory management of distributed objects in central processing units (CPU) and graphic processing units (GPU) nodes for applications using C++.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Quantifying the Opportunity Limits of Automatic Residential Electric Load Shaping

Electric utility residential demand response programs typically reduce load a few times a year during periods of peak energy use. In the future, utilities and consumers may monetarily and environmentally benefit from continuously shaping load by alternatively encouraging or discouraging the use of electricity. One way to shape load and introduce elasticity is to broadcast forecasts of dynamic electricity prices that orchestrate electricity supply and demand in order to maximize the efficiency of conventional generation and the use of renewable resources including wind and solar energy. A binary control algorithm that influences the on and off states of end uses was developed and applied to empirical time series data to estimate price-based instantaneous opportunities for shedding and adding electric load. To overcome the limitations of traditional stochastic methods in quantifying diverse, non-Gaussian, non-stationary distributions of observed appliance behaviour, recent developments in wavelet-based analysis were applied to capture and simulate time-frequency domain behaviour. The performance of autoregressive and spectral reconstruction methods was compared, with phase reconstruction providing the best simulation ensembles. Results show spatiotemporal differences in the amount of load that can be shed and added, which suggest further investigation is warranted in estimating the benefits anticipated from the wide-scale deployment of continuous automatic residential load shaping. Empirical data and documented software code are included to assist in reproducing and extending this work.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Development of Lightweight Structural Materials with Improved Properties for Fission Batteries

The notion of a “fission battery” conveys a vision focused on realizing very simple “plug-and-play” nuclear systems that can be integrated into a variety of applications requiring affordable, reliable energy in the form of electricity and/or heat and function without operations and maintenance staff. Fission batteries require lightweight structural materials to increase their mobility, and the lightweight materials must demonstrate structural resilience under various conditions. The objective of this work is to develop lightweight structural material featuring a good combination of mechanical properties using advanced modeling and simulation together with an advanced additive manufacturing technique such as laser powder bed fusion. The preliminary results show that different lattice structures and types can be successfully meshed using nTopology software, and the lattice structure data can be successfully transformed to Multiphysics Object-Oriented Simulation Environment (MOOSE) input. Finite Element Analysis (FEA) displays that, at macro/engineering scale simulation, the weight saving design has an obvious effect on tensile behavior such as effective elastic modulus and yield stress. The novel approaches of this work are (1) development of optimized lattice structures for improved mechanical properties using advanced simulation and modeling techniques; and (2) model predictions of the mechanical properties (e.g., strength and stress distribution) of macroscopic materials in order to preliminarily select a lattice structure for additive manufacturing.

36 MATERIALS SCIENCE↗