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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

Rainfall-driven Flooding Capability Development Report

Globally, floods are among the most frequent and costly natural disasters, both socially and economically. Many of these floods result from excess rainfall collecting in streams and rivers, then overtopping banks and flowing overland into urban environments, damaging critical infrastructure. In Fiscal Year 2012, the National Infrastructure Simulation and Analysis Center’s (NISAC) goal was to enhance its existing flood modeling and simulation capability to be able to estimate flooding from rainfall-runoff events. To accomplish this task, NISAC modified the existing flood modeling code-base using commodity high-performance computing hardware, making it more suitable for regional rainfall events. NISAC also implemented new modules within the existing flood code to account for hydrologic processes, such as spatially variable rainfall and infiltration. Analysts subjected the new hydrologic model to a verification and validation process, wherein analysts evaluated the model using a bench-scale experiment and watershed scale rainfall-runoff events. The bench-scale experiment indicated that the new hydrologic model is mass and momentum conserving and can adequately simulate runoff for depths of inches of water. The watershed scale simulations indicated that the hydrologic model is a good predictor of the discharge hydrograph when compared to observations if the input parameters, such as roughness and hydraulic conductivity, are adequately calibrated. The intended use of the hydrologic model is to estimate flood potential during extreme rainfall events. The accuracy of the predictions is largely dependent on the availability of accurate spatial data for soil and roughness parameters. In addition, each simulation should be accompanied with a calibration exercise, which requires historical rainfall and river discharge observations.

13 HYDRO ENERGY↗

Improving Gas Reactor Design with Complex Non-Standard Reaction Mechanisms in a Reactive Flow Model

Fluorinated gases are critical to a number of high-technology industries including semiconductor manufacturing and related processes such as flat panel display, LED, and photovoltaic manufacturing. These fluorinated gases have very high global warming potentials (GWPs) and, unfortunately are chemically very stable, in some cases lasting for thousands of years in the atmosphere. For environmental reasons, it is imperative that the release of these gases be minimized, but existing methods to destroy them requires a significant amount of energy. The goal of this project was to develop a more energy efficient method of destroying these high GWP gases using computational fluid dynamics, but the computational requirements are significant. In this project, we bring together resources available at the national labs, including high-performance computing hardware and modern computational methods, in order to explore an industrially important problem with key environmental and economic impact. In this project, we examined the state-of-the-art models for the physical processes involved, and made subtle changes to arrive at alternative formulations considerably better suited for computation and study. We examined several representative scenarios and developed a set of analyses techniques and tools that could be used to explore the systems in much greater detail. This exploratory project has demonstrated to ALZETA that HPC can indeed provide a unique view into their complex engineering problem - one that is simply inaccessible by any other means. The tools allow us to explore the details of the chemical process, and allow one to construct "what-if" scenarios to address shortcomings of the physical device in its current operating modes. However, as with many sources of completely new information, many new questions are illuminated with this capability. It will take considerable time, effort and experience before we learn to probe the solutions, pose operating scenarios and confirm modifications to the device that lead to real engineering advances.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Using MLIR Framework for Codesign of ML Architectures Algorithms and Simulation Tools

MLIR (Multi-Level Intermediate Representation), is an extensible compiler framework that supports high-level data structures and operation constructs. These higher-level code representations are particularly applicable to the artificial intelligence and machine learning (AI/ML) domain, allowing developers to more easily support upcoming heterogeneous AI/ML accelerators and develop flexible domain specific compilers/frameworks with higher-level intermediate representations (IRs) and advanced compiler optimizations. The result of using MLIR within the LLVM compiler framework is expected to yield significant improvement in the quality of generated machine code, which in turn will result in improved performance and hardware efficiency

97 MATHEMATICS AND COMPUTING↗

Investigation into Scalable and Detection-Enhanced Satellite Conjunction Assessment

Imaging opportunities (viewable conjunctions) of Resident Space Objects (RSOs) by satellites are not continuously discovered. We propose to continuously produce and report viewable conjunctions among objects in orbit. Viewable conjunctions are events in space and time when a satellite may favorably view a Resident Space Object (RSO). Favorability is defined by a set of constraints, e.g., solar illumination, distance between observer and target, orbital location for viewable event. Computing viewable conjunctions requires calculation of orbital propagation while considering constraints based on the state vectors of position, velocity, with covariance for both satellite and RSO. We propose two parallel lanes of effort: acceleration and research. The objective of acceleration is to avoid missed opportunities and reduce latency for satellite maneuver requests through continuous prediction and reporting of viewable conjunctions. The effort will begin by deploying currently available software on dedicated systems and continue with optimizing the code for high performance computing hardware. The research lane aims to expand RSO inspection and modeling capabilities. Among our current research ideas are spectral characterization of RSO materials and planning multiple observations to recover RSO 3D form. Computing resources at Oak Ridge National Laboratory (ORNL) are available for the acceleration work. Laika, Maxar conjunction prediction dashboard software, and Bluesim, Maxar orbital propagation software, are expected to be the first software in the acceleration lane. Laike and Bluesim are to be provided by the sponsor, and output will be made accessible through its dashboard. Deliverables will follow a gated schedule to the sponsor. ORNL will provide progressively more robust viewable conjunction assessments from both modelled and actual ephemerides.

97 MATHEMATICS AND COMPUTING↗

A New Era for Bubble Chamber Technology

Neutrino experiments like DUNE are limited by how well we understand the way neutrinos actually interact with atoms. The best way to fix that is to measure interactions on hydrogen, since a hydrogen nucleus is just a single free proton with largely none of the nuclear effects that heavier targets like argon have. The catch is that no one has built a hydrogen bubble chamber for a neutrino beam since the 1980s, mostly because the old chambers had too low of an active time. MAMBA is a project focused on bringing that technology back but built to cycle continuously at 1 Hz. I spent my summer internship on two of the subsystems that make that kind of speed possible. First, I helped install and test a new solid copper thermal link that replaced the old flexible braided cooling path, and it brought the coldhead down to 21.3 K, right at the target temperature. Second, I built and tested a Raspberry Pi based PLC control system, and across 20,000 trials it answered in a median of 0.64 ms, with only 0.66\% of trials running past 1 ms. Both results point the same direction: that inexpensive, off the shelf hardware can perform fast and reliable enough to eventually run a bubble chamber the way MAMBA needs it to run.

Williams, Nicholas [DuPage Coll.]↗

Particle Flow and PUPPI in the Level-1 Trigger at CMS for the HL-LHC

With the planned addition of tracking information to the Compact Muon Solenoid (CMS) Level-1 trigger for the High-Luminosity Large Hadron Collider (HL-LHC), the trigger algorithms can be completely reconceptualized. We explore the feasibility of using particle flow-like reconstruction and pileup per particle identification (PUPPI) pileup mitigation at the hardware trigger level. This represents a new type of multi-subdetector pattern recognition challenge for the HL-LHC. We present proof-of-principle studies on both physics and hardware-resource performance of a prototype algorithm for use by CMS in the HL-LHC era.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

System and method for vehicle energy estimation, adaptive control and routing

In various embodiments the present disclosure provides a system and a method for estimating energy usage in a vehicle. The system includes hardware that perform certain operations that include receiving data associated with a route to be taken by the vehicle. The operations include determining, based on the data associated with the route and a state of the vehicle, an estimate corresponding to the energy that would be used by the vehicle when traversing a segment of the route.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DFT modeling of adsorption onto uranium metal using large-scale parallel computing

There is a dearth of atomistic simulations involving the surface chemistry of 7-uranium which is of interest as the key fuel component of a breeder-burner stage in future fuel cycles. Recent availability of high-performance computing hardware and software has rendered extended quantum chemical surface simulations involving actinides feasible. With that motivation, data for bulk and surface 7-phase uranium metal are calculated in the plane-wave pseudopotential density functional theory method. Chemisorption of atomic hydrogen and oxygen on several un-relaxed low-index faces of 7-uranium is considered. The optimal adsorption sites (calculated cohesive energies) on the (100), (110), and (111) faces are found to be the one-coordinated top site (8.8 eV), four-coordinated center site (9.9 eV), and one-coordinated top 1 site (7.9 eV) respectively, for oxygen; and the four-coordinated center site (2.7 eV), four-coordinated center site (3.1 eV), and three-coordinated top2 site (3.2 eV) for hydrogen. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Development of programmable logic in a rapid, automated, and repeatable fashion for safety-related applications - 385

Digital safety platform considerations for power plant modernization or new build efforts involve a burdensome task of implementing a large number of software-based functions onto a designated platform to match the plant's architecture. This problem is not unique to any particular safety-related platform solution, but is prevalent across the landscape of current Qualified and Licensed Safety-related Instrumentation and Control (I and C) Solutions. As an example when implementing a RG 1.97 compliant Post Accident Monitoring System (PAMS) solution with the Lockheed Martin Nuclear Protection and Control (NuPAC) safety platform, 72 unique software loads are needed to configure the Qualified Display System (QDS). Large scale development and customization efforts to upgrade existing plant functions or systems require the licensee to assume the cost and technical risk necessary to undergo a digital based upgrade. Often the cost, schedule, and technical risk outweighed the benefit of modernization efforts due to the unknown hurdles and past projects that overran cost and schedule projections. Lockheed Martin's Engineering Production Suite (EPS) minimizes the licensee risk and expense associated with modernization efforts through a developer's toolkit for rapid, automated, and repeatable development of Programmable Logic used to implement plant functions and architectures for use on the Lockheed Martin NuPAC platform. This paper describes a use case where by EPS can create system level representations, simulate system functions, partition logic designs to accommodate hardware constraints through logic partitioning, automate the assembly of Application Specific Programmable Logic (ASPL), generate system test cases, program the NuPAC hardware, and perform testing throughout the design workflow. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Hydrogen Production, Grid Integration, and Scaling for the Future

The project will explore near and long-term visions towards the commercialization of grid integrated electrolysis systems to inform deployment across the planning, procurement, and operation stages of hydrogen production on the grid. It will leverage NREL's state-of-the-art 1.25 MW polymer electrolyte membrane (PEM) electrolyzer system to characterize system performance in relevant scenarios, also creating a digital twin for emulation in the Advanced Research on Integrated Energy Systems (ARIES) virtual environment and performing hardware-in-the-loop (HIL) testing of pilot scale, decentralized, and centralized hydrogen systems.

electrolysis systems↗

Introduction of a Variable Inductance Transformer for the Design of Resonant Power Converters

Magnetic integration is a hot topic in power electronics that concerns the use of a transformer’s leakage and magnetizing inductances purposefully in isolated power electronic converters, thereby giving the opportunity to save the cost and footprint of any additional inductor. This is of prime interest, especially in CLLLC resonant converters which require up to three inductors. For a complete integration of these inductances, the concept of a variable inductance transformer (VIT) is introduced in this thesis. A VIT is an adaptive magnetic structure that facilitates an easy adjustment of both magnetizing and leakage inductances to meet their desired values. However, for a more promising design, an accurate estimation of these inductances is necessary. While the evaluation of magnetizing inductance is quite straightforward, the calculation of leakage inductance is rather convoluted, because the leakage inductance is influenced by both the winding layout and the operating frequency. In this thesis, three new semi-analytical methods for calculating the frequency-independent leakage inductance, and a novel semi-analytical method for evaluating the frequency-dependent leakage inductance are proposed. These methods can calculate the respective leakage inductances of a VIT within an outstanding ±5% uncertainty. Finally, a bidirectional CLLLC resonant dc-dc converter is investigated for the constant current constant voltage (CCCV) charging of the next-generation 900 V traction battery of an electric vehicle. A new voltage gain equation is derived for designing the CLLLC resonant tank, and a small-signal model is presented for designing the variable-frequency feedback controller. Furthermore, a new methodology to design a VIT is developed to overcome the challenges associated with small coupling coefficients and guarantee a complete magnetic integration of the tank inductances. All theoretical results presented herein are verified through simulations and experiments performed on hardware prototypes designed in the lab.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Understanding HPC Benchmark Performance on Intel Broadwell and Cascade Lake Processors

Hardware platforms in high performance computing are constantly getting more complex to handle even when considering multicore CPUs alone. Numerous features and configuration options in the hardware and the software environment that are relevant for performance are not even known to most application users or developers. Microbenchmarks, i.e., simple codes that fathom a particular aspect of the hardware, can help to shed light on such issues, but only if they are well understood and if the results can be reconciled with known facts or performance models. The insight gained from microbenchmarks may then be applied to real applications for performance analysis or optimization. In this paper we investigate two modern Intel x86 server CPU architectures in depth: Broadwell EP and Cascade Lake SP. We highlight relevant hardware configuration settings that can have a decisive impact on code performance and show how to properly measure on-chip and off-chip data transfer bandwidths. The new victim L3 cache of Cascade Lake and its advanced replacement policy receive due attention. Finally we use DGEMM, sparse matrix-vector multiplication, and the HPCG benchmark to make a connection to relevant application scenarios.

97 MATHEMATICS AND COMPUTING↗

Shifting Between Compute and Memory Bounds: A Compression-Enabled Roofline Model

In the evolving landscape of high-performance computing, especially to fight the end of Moore’s Law and Dennard’s Scaling, the ability to shift between compute-bound and memory-bound states is critical for enhancing adaptability and flexibility to diverse system and domain-specific architectures. Such capability is vital for optimizing performance across distinguished hardware configurations, such as accelerators, memory hierarchies, and cache systems. Despite that ad hoc optimization techniques, such as compressed/approximate computation, have been enabled for compute-/data-intensive computing for improved performance in distinct hardware settings, there lacks an understanding of 1) the rational behind performance improvement; 2) capability of different optimizations; 3) what optimization to respond to specific computational and memory demands. This work proposes a compression-enabled roofline model to facilitate this adaptability with data compression techniques to balance and transform between computational and memory demands. This model enables applications to adjust in response to the specific strengths and limitations of the underlying hardware and system to optimize resource utilization. The effectiveness of this approach is demonstrated with matrix multiplication kernels on different input sizes, with turning on/off various compression techniques, including 1) low-precision floating point; 2) sparse matrix formulation; and 3) compressed arrays with ZFP. By reducing memory transfer volumes and cache misses and increasing data locality and computational intensity through compression, the specific roofline model can transform between compute and memory bounds to align more efficiently with system capabilities. This advancement not only improves overall performance but also maximizes adaptability in diverse computing environments.

Naraparaju, Ramasoumya [University of Washington]↗

Real-Time Hardware-in-The-Loop Implementation of Protection and Self-Healing of Microgrids

The design of a reliable protection scheme for microgrids often requires communication between protective devices and microgrid controllers. The authors have developed such a communication assisted scalable protection scheme with a self healing feature to protect a microgrid with 100% Inverter Based Resources (IBRs). The communication assisted scheme must be validated in real time with cyber physical co-simulation for successful demonstration. In this regard, the paper presents a co-simulation platform between a simulated power system model using RTDS and physical protective devices. The primary protection of the scheme is programmed in SEL 421-7 relay and backup protection is programmed in MATLAB on a generic computer acting as a microgrid controller. The IEC 61850 models are used to communicate between SEL-421-7 relay and RTDS, whereas TCP/IP communication connects the microgrid controller to RTDS. The paper’s focus is to demonstrate the co- simulation platform with communication links established using both protocols and validate the proposed scheme in real-time on the IEEE 123 node distribution feeder. The paper explains the configuration of the IEC 61850 and TCP/IP communications as the interface requires proper hardware and software setup. Furthermore, the real time performance indicates the Hardware In the Loop (HIL) framework as a competent testing environment for the developed protection scheme for microgrids.

42 ENGINEERING↗

ZFP Hardware Implementation

ZFP is a floating-point compression format gaining traction in high-performance computing applications. A software implementation has demonstrated the ability to reduce data movement across communication channels and to reduce the footprint of floating-point arrays in memory. Nevertheless, any benefit in performance is limited to the spare compute cycles available before reaching bandwidth limitations. A hardware implementation of ZFP has the potential to substantially improve HPC application performance. Hardware compression speedup over software alone on a single CPU core ranges from 15x for 1-D arrays to over 200x for 3-D arrays. The implementation of ZFP is sourced in SystemC to facilitate its evaluation in various architectures. The encode pipeline consists of several modules. Uncompressed blocks of floating-point numbers in IEEE format flow into the pipeline in a stream and a compressed bitstream flows out from the pipeline. The decode pipeline is the inverse of the encode pipeline. A modular design enables formats other than IEEE (such as posits) to be considered with minor adaptations. Best performance will be realized from the hardware ZFP unit when batches of blocks are processed at a time. The implementation supports 1-D, 2- D and 3-D blocks of floating-point numbers. The hardware implementation of ZFP has been validated with the software implementation of ZFP. C++ template parameters are used to specify the bit width of floating-point numbers and the array dimension of the encoder. A test bench program has been created with several test cases, some with continuous data that is ideal for ZFP, and others with extreme cases containing numbers near or at the maximum or minimum values supported by the number format.

Lloyd, GS↗

Multiphysics coupling in the Exascale computing project

Multiphysics coupling presents a significant challenge in terms of both computational accuracy and performance. Achieving high performance on coupled simulations can be particularly challenging in a high-performance computing context. The US Department of Energy Exascale Computing Project has the mission to prepare mission-relevant applications for the delivery of the exascale computers starting in 2023. Many of these applications require multiphysics coupling, and the implementations must be performant on exascale hardware. In this special issue we feature six articles performing advanced multiphysics coupling that span the computational science domains in the Exascale Computing Project.

97 MATHEMATICS AND COMPUTING↗

Systems, methods and computer-readable media for modeling cell performance fade of rechargeable electrochemical devices

A system includes an electrochemical cell, monitoring hardware, and a computing system. The monitoring hardware periodically samples performance characteristics of the electrochemical cell. The computing system determines cell information from the performance characteristics of the electrochemical cell. The computing system also develops a mechanistic level model of the electrochemical cell to determine performance fade characteristics of the electrochemical cell and analyzing the mechanistic level model to estimate performance fade characteristics over aging of a similar electrochemical cell. The mechanistic level model uses first constant-current pulses applied to the electrochemical cell at a first aging period and at three or more current values bracketing a first exchange current density. The mechanistic level model also is based on second constant-current pulses applied to the electrochemical cell at a second aging period and at three or more current values bracketing the second exchange current density.

25 ENERGY STORAGE↗