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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

Just-in-Time Compilation and Link-Time Optimization for OpenMP Target Offloading

Following the mass adoption of external accelerators for high performance computing, the overall performance of many applications has become increasingly dependent on relatively small accelerated kernels. As static analysis is fundamentally limited by dynamic values and external definitions, standard ahead-of-time compilation is not always sufficient to achieve the best performance. Furthermore, many users looking to port an existing application to run on an external accelerator will not want to fundamentally restructure their programs. These and other problems can be addressed through both link-time optimization (LTO) and just-in-time (JIT) compilation, but until now had sparse and inconsistent support from the compiler. In this work, we present a new compilation method that enables device-side LTO as well as a transparent JIT compilation tool-chain for OpenMP target offloading. Our contributions include an entirely new device linking and embedding scheme to enable LTO as well as a novel JIT engine to efficiently optimize OpenMP offloading regions at run-time. We also introduce a persistent caching system to improve end-to-end runtime using the JIT engine and minimize kernel launching overheads. We measure the performance of our LTO and JIT implementation via several real-world scientific applications. With our optimizations we observe significant improvements through LTO on large applications as well as significant end-to-end execution time improvement using JIT.

Tian, Shilei↗

Dynamically Exploring the QCD Matter at Finite Temperatures and Densities: A Short Review

We provide a concise review on recent theory advancements towards full-fledged (3+1)D dynamical descriptions of relativistic nuclear collisions at finite baryon density. Heavy-ion collisions at different collision energies produce strongly coupled matter and probe the QCD phase transition at the crossover, critical point, and first-order phase transition regions. Dynamical frameworks provide a quantitative tool to extract properties of hot QCD matter and map fireballs to the QCD phase diagram. Outstanding challenges are highlighted when confronting current theoretical frameworks with current and forthcoming experimental measurements from the RHIC beam energy scan programs.

Physics↗

The time-resolved atomic, molecular and optical science instrument at the Linac Coherent Light Source

The newly constructed time-resolved atomic, molecular and optical science instrument (TMO) is configured to take full advantage of both linear accelerators at SLAC National Accelerator Laboratory, the copper accelerator operating at a repetition rate of 120 Hz providing high per-pulse energy as well as the superconducting accelerator operating at a repetition rate of about 1 MHz providing high average intensity. Both accelerators power a soft X-ray free-electron laser with the new variable-gap undulator section. With this flexible light source, TMO supports many experimental techniques not previously available at LCLS and will have two X-ray beam focus spots in line. Thereby, TMO supports atomic, molecular and optical, strong-field and nonlinear science and will also host a designated new dynamic reaction microscope with a sub-micrometer X-ray focus spot. The flexible instrument design is optimized for studying ultrafast electronic and molecular phenomena and can take full advantage of the sub-femtosecond soft X-ray pulse generation program.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Resilient Disaster Recovery Logistics of Distribution Systems: Co-Optimize Service Restoration With Repair Crew and Mobile Power Source Dispatch

Repair crews (RCs) and mobile power sources (MPSs) are critical resources for distribution system (DS) outage management after a natural disaster. However, their logistics have not been well investigated. We propose a resilient scheme for disaster recovery logistics to co-optimize DS restoration with the dispatch of RCs and MPSs. A novel co-optimization model is formulated to route RCs and MPSs in the transportation network, schedule them in the DS, and reconfigure the DS for microgrid formation coordinately, etc. The model incorporates different timescales of DS restoration and RC/MPS dispatch, the coupling of transportation and power networks, etc. To ensure radiality of the DS with variable physical structure and MPS allocation, we also model topology constraints based on the concept of spanning forest. The model is convexified equivalently and linearized into a mixed-integer linear programming. To reduce its computation time, preprocessing methods are proposed to preassign a minimal set of repair tasks to depots and reduce the number of candidate nodes for MPS connection. Resilient recovery strategies thus are generated to enhance service restoration, especially by dynamic formation of microgrids that are powered by MPSs and topologized by repair actions of RCs and network reconfiguration of the DS. Case studies demonstrate the proposed methodology.

Disaster recovery logistics↗

Inference-Engine v0.1.0

Given a pre-trained neural network, Inference-Engine performs maps network inputs to outputs by executing the forward pass through the provided network. Although the predominant programming language for machine-learning is Python, most high-performance computing (HPC) applications are written in Fortran, C, or C++. Inference-Engine aims to support HPC programs and is written in Fortran, a language with a large feature set supporting interoperability with C. This software exposes concurrency in a portable way by using standard language features that some modern Fortran compilers can exploit with various optimizations, including offloading computation to a Graphics Processing Unit (GPU). In particular, this software makes extensive use of Fortran's "do concurrent" parallel loop construct, implicitly parallel array statements, and pure procedures that can be invoked inside "do concurrent" blocks. Inference-Engine also supports dynamic choice of inference methods at runtime. Two current options include one method that uses Fortran's "dot_product" intrinsic function inside "do concurrent" blocks and another method that instead uses Fortran' "matmul" array intrinsic function. We plan to investigate automatic compiler offloading of "do concurrent" calculations to GPUs and compile-time substitution of optimized libraries such as the Basic Linear Algebra Library (BLAS) for "matmul" invocations. We also envision the potential for the choice of which method to use could happen at program launch based on in situ performance measurements on any given platform.

Rouson, Damian↗

Testing the Standard Model and Fundamental Symmetries in Nuclear Physics with Lattice QCD and Effective Field Theory

The research supported by this grant is aimed at probing the limits of the Standard Model through precision low-energy nuclear physics. The work of the PI (AWL) and additional personnel is to provide theory input needed for a number of potentially high-impact experiments, notably, hadronic parity violation, Dark Matter direct detection and searches for permanent electric dipole moments (EDMs) in nucleons and nuclei. In all these examples, a quantitative understanding of low-energy nuclear physics from the fundamental theory of strong interactions, Quantum Chromo-Dynamics (QCD), is necessary to interpret the experimental results. The main theoretical tools used and developed in this work are the numerical solution to QCD known as lattice QCD (LQCD) and Effective Field Theory (EFT). This grant is supporting a new research program for the PI, and as such, needed to be developed from the ground up. Therefore, the first fiscal year of this grant, 08/01/2014-07/31/2015, has been spent predominantly establishing this new research effort. Very good progress has been made, although, at this time, there are not many publications to show for the effort. After one year, the PI accepted a job at Lawrence Berkeley National Laboratory, so this final report covers just a single year of five years of the grant.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

National Security Research Center 2021 Strategic Plan

The National Security Research Center (NSRC) is a dynamic organization staffed with an expert, highly trained experts. The NSRC opened its doors in June 2019, making it one of the newest large organizations at Los Alamos National Laboratory (LANL). It supports a broad range of researchers within the LANL Weapons Program, customers across other National Nuclear Security Administration (NNSA) labs and sites, and partners in the Department of Defense (DoD). The maintenance and growth of the NSRC necessitate strategy and foresight. The NSRC leadership has developed a series of strategic goals through discussions with NSRC staff, customers, LANL leadership, and similar research institutions around the country to guide the NSRC leadership in moving the Center forward over the next five years.

99 GENERAL AND MISCELLANEOUS↗

Ring Model Development and Validation for Prismatic HTGR Core Thermal-hydraulics and Safety Analysis

Because of the complex core geometry, prismatic high temperature gas-cooled reactors (prismatic HTGRs) often exhibit complex thermal fluid behaviors during both normal operating and transient conditions. Most HTGR designs rely on passive safety system for decay heat removal, such as the reactor cavity cooling system (RCCS). During postulated accidents like Pressurized Conduction Cooldown (PCC) event, the decay heat is first radially transferred from the core region to the reactor vessel outer surface, then to the RCCS cooling panels. The peak fuel temperature is controlled by heat transfer mechanisms with two distinctive characteristic length scales, i.e., the core-wise effective heat conduction and local heat conduction in the fuel pellet scale. As both length scales are essential to determine the fuel temperature, from the modeling perspective, computer codes must be able to capture heat transfer in both scales. This is challenging for both computational fluid dynamics (CFD) tools because of extremely large amount of computation resources required, and for system analysis codes because of the challenge to model the complex core geometry. Under the support of DOE-NE’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, efforts have been pursued to support HTGR technology development and its modeling and simulation needs. There is a particular need for advanced modeling and simulation tools to predict thermal-fluid behavior during safety-related transients. In our previous studies, the ring model was adopted in SAM and further developed to simulate the normal operating condition and a PCC event using the MHTGR-350 design of General Atomics as the reference design. This current work represents a continuation of these previous efforts, and the focus is to critically review and examine simplifications and assumptions made to develop the ring model, and to perform code validation using experimental data from an integral-effect test facility, the High Temperature Test Facility (HTTF) at the Oregon State University. In this study, the test PG-27 from the HTTF test suite was selected for code validation purpose. The test PG-27 is a transient test designed to simulate the PCC event of the MHTGR design. Very good agreements between SAM prediction and experimental measurements were found in both coolant and solid structure temperatures during the transient.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

LICS Modeling [Slides]

We propose to design a new diagnostic based on laser inverse Compton scattering (LICS) to study the dynamics of runaway electron formation during killer-pellet triggered disruptions in DIII-D, and their subsequent loss. Obtaining a better understanding of transient runaway electrons (and how to suppress them) is one of the highest priorities of the US fusion program. To enable this, we need better measurements of the runaway electron population during and after disruptions. We intend to measure point-wise time-resolved spatial profile and energy distributions of the runaway electrons while they are in the core of the tokamak plasma. While LICS measurements of relativistic e-beams have been successfully made on accelerators, they have never been done in a tokamak. We bring two innovations to this diagnostic concept which should enable 10 times better signal-to-noise ratios than previously envisioned. In particular, we will marry bright short pulse (10’s of picosecond) laser technologies with the availability of short-pulse gated x-ray imagers developed at Los Alamos for the National Ignition Facility (NIF), to reject noise generated by the tokamak and plasma environment. We will generate a Conceptual Physics Basis, a Preliminary Design, and a Final Design package, with associated DIII-D reviews, along with prototype component testing for the diagnostic over the course of the two year duration of this proposal.

42 ENGINEERING↗

Real-Time On-Ramp Merging Control of Connected and Automated Vehicles using Pseudospectral Convex Optimization

Highway on-ramp merging can be a challenging task for human drivers due to the complex vehicle negotiations and interactions in limited time and space. Connected and automated vehicles (CAVs) have great potential to address the problem and offer many benefits in terms of safety, traffic efficiency, and fuel economy. However, real-time optimal control of CAVs still faces many challenges, including nonlinear dynamics, complex inter-vehicle interactions, and a highly dynamic and uncertain traffic environment. To address these challenges, we develop a novel control approach that balances the solution optimality and computational efficiency to determine optimal merging speed profiles in real time. Specifically, by employing a pseudospectral method and a sequential convex programming approach, two algorithms are proposed and implemented within the model predictive control (MPC) framework to enable real-time generation of optimal solutions for potential on-vehicle applications. The convergence and optimality of the proposed algorithms are validated by comparing with a general-purpose solver under different traffic scenarios.

Shi, Yang↗

Initial Development of Fusion Magnet Simulation Capabilities for Performance and Safety Evaluation Using the MOOSE Framework

Fusion energy holds the promise of being a transformative technology as a carbon-neutral, sustainable source of energy. Whole device modeling and the development of fusion digital twins will be increasingly important for emerging fusion device concepts at both national laboratories and within the commercial fusion industry. However, meeting the challenge of whole device modeling of fusion energy devices requires robust, multiphysics, multiscale modeling and simulation technologies capable of running on large-scale supercomputers. Detailed analysis of individual systems at-scale is also required to ensure safe and efficient operation as well as provide the safety basis for future device designs and licensing activities. In a tokamak, toroidal and poloidal magnets confine and shape the fusion plasma to promote the fusion reaction. High plasma temperatures and high magnetic field requirements in modern design concepts (leading to high amounts of energy stored within each magnet) impose electrical, thermal, and mechanical loads on the magnet components, which in turn impacts the safety considerations of the magnet and their supporting systems. Idaho National Laboratory (INL) has a history of working in this space, including development and benchmarking of the Magnetic System Circuitry Analysis Program (MSCAP) and Magnet Arcing (MAGARC) codes to study magnet quench events; notably, MAGARC was used to study quenching during the ITER Engineering Design Activity. However, these legacy codes and capabilities are not parallel and scalable, and new tools are required for future advances in this area, which leads to the INL-developed Multiphysics Object-Oriented Simulation Environment (MOOSE) framework. Developed originally for fission reactor systems under United States Department of Energy, Office of Nuclear Energy modeling and simulation programs, the MOOSE framework has been well-suited to multiscale, multiphysics modeling and simulation needs for nuclear systems. The framework is open-source, well-tested, under continuous development and deployment, and developed to a Nuclear Quality Assurance, Level 1 software quality standard. MOOSE has also been used in the fusion space previously in several projects: INL’s Tritium Migration Analysis Program, Version 8 (TMAP8) for tritium migration, UK Atomic Energy Authority’s A Unified Resource for OpenMC (fusion) Reactor Applications (AURORA) code for fusion thermo-mechanical and neutronics analysis, and Argonne National Laboratory’s Cardinal for high-fidelity computational fluid dynamics and neutronics. However, to model superconducting magnets, several MOOSE enhancements are required: additions to the current MOOSE electromagnetic capabilities, new material libraries for superconductors of interest (such as YBCO), as well as fusion-specific models for thermo-mechanics. This talk will discuss initial development activities to build these capabilities in MOOSE, focusing on initial validation and benchmarking activities. Proposed coupling workflows and future work to support the simulation of fusion magnets and magnet structural assemblies for performance and safety evaluation in MOOSE will also be discussed.

70 - PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Concurrent Cooling Effects of Dynamic Line Ratings on Wind Plant Gen-Tie Lines

This report was prepared for the Wind Energy Technology Office for the FY 2022, quarter 2 deliverable. This details the use of dynamic line rating technology to rate a series of gen tie lines connecting wind plants to the regional transmission lines. This consists of two primary study regions, the first on the desert west of Idaho Falls, and the second in the region east of the Cascades along the Columbia River Gorge. The TREAD program that was developed at INL was used to create generated gen-tie lines based on nearby regional transmission line connections. The capacity availability of the gen tie lines are compared with the power production of the wind farms. Overall, the INL Site location shows a much greater capacity for the gen-tie lines due to the higher wind speeds. Across both locations, the HRRR data shows higher wind speeds than observed at the observational weather stations. For both the Columbia Gorge and Idaho areas, the sites show that a statically rate gen-tie could carry additional capacity far above the rated during periods of high wind due to the concurrent cooling effects.

17 WIND ENERGY↗

Artificial Neural Network Representation of Dynamic Criticality Excursion Experiment Data

This paper outlines time dependent considerations in applying the artificial neural network (ANN) paradigm to dynamic nuclear criticality excursion experiment data. The ANN amongst a variety of uses, can apply to function fitting of multiple input-multiple output data sets, pattern recognition, cluster analysis, and time series prediction. The ANN is a component of Machine Learning (ML) data analysis. The practical application of ML to criticality safety has been funded through the Y-12 Plant Directed Research and Demonstration (PDRD) program to support criticality safety and emergency planning efforts. The initial effort considered function fitting of criticality excursion data. Recent efforts successfully extended the ANN to criticality safety code validation. The initial ANN work applied to criticality excursions centered around multivariate function fitting of static (tabular) data taken from the French Consequences Radiologiques d'un Accident de Criticite (CRAC) and SILENE reactor campaigns. The former report (LeCorche) summarized important tabular data for the first 44 CRAC experiments. The initial ANN was trained to specific time-independent inputs, then applied to predict peak fission rate and total fissions for a wide variety of fissile solutions process conditions. This work extends that effort to apply the ANN paradigm to dynamic prediction of time-dependent criticality excursion experiment data. A dynamic criticality excursion in fissile solution represents a complex multiphysics phenomenon. Factors include among other things, coupled neutronic, multiphase fluid flow, temperature, pressure, acoustic shock, boiling heat transfer, reactivity feedback, and radiolytic gas considerations. There have been many efforts to model (over time) as coupled ordinary and (space) as partial differential equations (ODE, PDE). The ANN representation noted here does not rely on solving explicit ODE or PDEs. Rather the intent is to demonstrate that as a time series, the criticality excursion can be predicted by training specific ANN architectures to experimental input and output time series exclusively. The rationale for extending this work to the time-dependent regime is important in developing a 'criticality excursion emulator' solely on the basis of learning characteristics from experiment dynamic data. An emulator is different than a computer code simulator driven by the solution of ODEs and PDEs given select 'tuning parameters' that match outputs to experiments. A criticality excursion emulator, derived exclusively from an ANN or ML, could predict most likely excursion characteristics, trained from historic dynamic experiment data, presented with input values within the range of those experiments. The work noted shows that generic time-series ANN architectures can be satisfactorily applied to the prediction of dynamic, extremely chaotic criticality excursion power given an initial time dependent input series. In reality, an excursion emulator could be driven by user-supplied initial (t=0), time independent or constant values to generate time dependent outputs. Thus ongoing work includes developing a custom ANN such that initial dynamic conditions would be predicted. Those results then serve as inputs to a customized ANN architecture currently in development. (author)

42 ENGINEERING↗

Thermal Integration of DETAIL Systems

A thermal connection between the Microreactor AGile Non-nuclear Experimental Testbed (MAGNET) and the thermal energy distribution system (TEDS) has been a key part of the Dynamic Energy Transport and Integration Laboratory (DETAIL) plan since the development of the Integrated Energy Systems Roadmap in 2020. This connection provides an expanding demonstration capability for integrated system operations. The thermal connection between MAGNET and TEDS required the selection of a heat exchanger and valves to isolate flow. Research staff within the NEET Crosscutting Technology Development program selected equipment after receiving proposals from multiple vendors. A helical coil heat exchanger from Graham Corporation was selected for its small volume relative to its heat transfer surface area to fit in the limited space available. Triple offset butterfly valves with pneumatic actuators from Flowserve were selected to isolate and/or control flow of the hot gas through the heat exchanger. Staff from Idaho National Laboratory’s (INL) Facilities and Site Services Engineering department designed the piping and structural support. A mechanical construction firm was contracted to install the system. This report documents the design and construction of this thermal connection.

25 ENERGY STORAGE↗

Review of TEAMER Awards for WEC-Sim Support: Preprint

Testing Expertise and Access for Marine Energy Research (TEAMER) is a U.S. Department of Energy Water Power Technologies Office sponsored program, overseen by the Pacific Ocean Energy Trust, which aims to advance the state of marine energy technologies. The program connects technology developers with experts at U.S. facilities, including numerical modeling and analysis facilities, like WEC-Sim. The WEC-Sim facility is supported by the WEC-Sim development team at Sandia National Laboratories and the National Renewable Energy Laboratory. WEC-Sim (Wave Energy Converter SIMulator) is an open-source software for simulating wave energy converters. WEC-Sim can model the multi-body dynamics of devices comprised of bodies, joints, power take-off systems, and mooring systems. Since TEAMER's first round of support in 2020, there have been eighteen TEAMER awards focused on numerical model development in WEC-Sim. TEAMER awards for WEC-Sim support have modeled a wide range of wave energy converter archetypes, including point absorbers, attenuators, oscillating water columns, and many other novel architectures. A wide variety of studies have been conducted, leading to important insights for TEAMER partners and software improvements for WECSim. This article highlights several successful WEC-Sim TEAMER awards. The awards described herein include TEAMER recipients Ocean Motion Technologies, AquaHarmonics, iProTech, East Carolina University, Virginia Tech, Maiden Wave Energy, and the University of Massachusetts Dartmouth. The awards of these seven partners contain a wide range of investigations and cover the creation of baseline hydrodynamic models, PTO modeling, geometry optimization in both boundary element methods and WECSim, and model tuning and validation.

industry support↗

Cross-scale Efficient Tensor Contractions for Coupled Cluster Computations Through Multiple Programming Model Backends

Coupled-cluster methods provide highly accurate models of molecular structure by explicit numerical calculation of tensors representing the correlation between electrons. These calculations are dominated by a sequence of tensor contractions, motivating the development of numerical libraries for such operations. While based on matrix-matrix multiplication, these libraries are specialized to exploit symmetries in the molecular structure and in electronic interactions, and thus reduce the size of the tensor representation and the complexity of contractions. The resulting algorithms are irregular and their parallelization has been previously achieved via the use of dynamic scheduling or specialized data decompositions. We introduce our efforts to extend the Libtensor framework to work in the distributed memory environment in a scalable and energy efficient manner. We achieve up to 240 speedup compared with the best optimized shared memory implementation. We attain scalability to hundreds of thousands of compute cores on three distributed-memory architectures, (Cray XC30&XC40, BlueGene/Q), and on a heterogeneous GPU-CPU system (Cray XK7). As the bottlenecks shift from being compute-bound DGEMM's to communication-bound collectives as the size of the molecular system scales, we adopt two radically different parallelization approaches for handling load-imbalance. Nevertheless, we preserve a uni ed interface to both programming models to maintain the productivity of computational quantum chemists.

74 ATOMIC AND MOLECULAR PHYSICS↗

Feedback Control Approaches for Restoration of Power Grids from Blackouts

The automated restoration of power systems with variable energy resources is a timely problem to tackle. Automated restoration advice can support operators in deciding on strategic actions to restore power grids from a blackout with a mix of conventional and renewable generation resources. To this end, this paper frames the restoration process of power grids with solar resources as a nonlinear dynamic model with algebraic constraints in discrete time which is steered by feedback control loops. We discuss two feedback-control strategies based on greedy and reinforcement learning algorithms, and contrast their performance with restoration plans generated by a mixed-integer linear program. We found that the reinforcement learning algorithm infers restoration actions faster than the greedy one. However, the tuning process of the reinforcement learning parameters is slower than for the greedy one.

machine learning↗

Dynamic modeling for heavy-ion collisions

Recent theory progress in (3+1)D dynamical descriptions of relativistic nuclear collisions at finite baryon density are reviewed. Heavy-ion collisions at different collision energies produce strongly coupled nuclear matter to probe the phase structure of Quantum Chromodynamics (QCD). Dynamical frameworks serve as a quantitative tool to study properties of hot QCD matter and map collisions to the QCD phase diagram. Outstanding challenges are highlighted when confronting theoretical models with the current and forthcoming experimental measurements from the RHIC beam energy scan program.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗