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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 91 records · Page 5

Summary of Assessments Performed in FY 20 by SNL QA POC for FY 19 SNL SFWD Milestone Deliverables

The Sandia National Laboratories (SNL) staff is meeting the requirements of the Nuclear Fuel Cycle and Supply Chain (NFCSC) Quality Assurance Program Document (QAPD)1. Each of the 46 SFWD FY 19 packages for SNL were reviewed. Six of the 46 packages had incorrect QRL categories, but technical reviews were always found to be appropriate. No major corrective actions are assigned, but recommendations have been made to adjust the identified QRL items. Additional and minor PICS:NE checkbox errors are recognized. Future training will be geared to ensure proper QRL categorizations and other check box entries in future cases

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

FY20 ASC IC L2 Milestone 7180: Performance Portability of SIERRA Mechanics Applications to ATS-1 and ATS-2. Executive Summary

The overall goal of this work was to accelerate simulations supporting the nuclear deterrence (ND) mission through improved performance of key algorithms in the ASC IC Sierra multi-physics application suite. This work focused on porting and optimizing algorithms for the graphics processing units (GPU) on the second ASC advanced technology system (ATS-2), while maintaining or improving performance on commodity technology systems (CTS) and ATS-1. Furthermore, these algorithmic developments used the ASC developed Kokkos performance portability abstraction library to maintain high performance across platforms using identical code, and enable sustainable reduced-cost migration and performance optimization to emerging hardware.

97 MATHEMATICS AND COMPUTING↗

Data Services for Visualization and Analysis - ASC Level II Milestone (7186)

A new in transit Data Service is presented and compared to the traditional file-based workflow and the newly refactored in situ Catalyst workflow. Each workflow is enabled by the IOSS mesh interface equipped with data management layers for Exodus and CGNS (file-based), Catalyst (in situ), and FAODEL (in transit). FAODEL is a distributed object store that can transmit data across MPI allocations. Catalyst is a Para View-based visualization capability developed as part of the CSSE Data Services effort. The workflows considered here take SPARC data into Catalyst for visualization post-processing. Although still in unoptimized form, we show that the in transit approach is a viable alternative to file-based and in situ workflows and offers several advantages to both simulation and post-processing developers. Since IOSS is a mature interface with wide adoption across Sandia and externally, each workflow can be reconfigured to use different simulations that generate mesh data and post-processing tools that consume it.

97 MATHEMATICS AND COMPUTING↗

Applying Machine Learning to the Classification of DC-DC Converters (Milestone 2 Deliverable Report)

Since extending the Autodetector to a convolutional neural network (CNN) machine learning classifier model, an effort has been executed to demonstrate its ability to distinguish not only a switching DC-DC converter as high voltage, but identify the make and model of a converter on which it was trained. This was achieved by collecting data in a noisy environment, pre-processing the time domain data to obtain composite images using a method that improves upon that of the prior research, then validating a trained CNN model to an accuracy of 100% on a selected candidate converter.

42 ENGINEERING↗

BEE - FY20 P6-2: Support for HPC resource managers 2.3.6.01 – LANL ATDM ST / STNS01-6 P6 Milestone Completion Documentation

BEE uses abstract interfaces between core functionality and specific driver code. An example of this is the worker_interface. The worker_interface is used by the BEETaskManager to communicate with the HPC system-specific resource manager (e.g. Slurm) and container runtime (e.g. Charliecloud). BEE initially only supported the Slurm HPC resource manager. This activity will make HPC resource manager support a configurable option. When this activity is complete BEE will support both the Slurm and LSF resource managers.

97 MATHEMATICS AND COMPUTING↗

Demonstration and performance testing of extreme-resolution simulations with static meshes on Summit (CPU & GPU) for a parked-turbine configuration and an actuator-line (mid-fidelity model) wind farm configuration (ECP-Q4 FY2020 Milestone Report)

The goal of the ExaWind project is to enable predictive simulations of wind farms comprised of many megawatt-scale turbines situated in complex terrain. Predictive simulations will require computational fluid dynamics (CFD) simulations for which the mesh resolves the geometry of the turbines and captures the rotation and large deflections of blades. Whereas such simulations for a single turbine are arguably petascale class, multi-turbine wind farm simulations will require exascale-class resources. The primary physics codes in the ExaWind simulation environment are Nalu-Wind, an unstructured-grid solver for the acoustically incompressible Navier-Stokes equations, AMR-Wind, a block-structured-grid solver with adaptive mesh refinement capabilities, and OpenFAST, a wind-turbine structural dynamics solver. The Nalu-Wind model consists of the mass-continuity Poisson-type equation for pressure and Helmholtz-type equations for transport of momentum and other scalars. For such modeling approaches, simulation times are dominated by linear-system setup and solution for the continuity and momentum systems. For the ExaWind challenge problem, the moving meshes greatly affect overall solver costs as reinitialization of matrices and recomputation of preconditioners is required at every time step. The choice of overset-mesh methodology to model the moving and non-moving parts of the computational domain introduces constraint equations in the elliptic pressure-Poisson solver. The presence of constraints greatly affects the performance of algebraic multigrid preconditioners.

17 WIND ENERGY↗

Performance Assessment of AFQMC Implementation (ECP Milestone 5.2 Report)

The auxiliary field quantum Monte Carlo algorithm in QMCPACK was ported to run on AMD GPUs using HIP. Initial performance measurements on early access hardware indicate a 4x slowdown compared to NVIDIA V100s. The slowdown was determined to be a result of suboptimal ROCM libraries for small matrix sizes coupled with some poorly performing hipified CUDA kernels. Through a preliminary analysis of HIP kernel performance we determined a strategy for pro ling and tuning kernels. We request that ROCM libraries are optimized for smaller problem sizes particularly for batched operations.

97 MATHEMATICS AND COMPUTING↗

The Ristra Project: FY20/21 Milestone Report

The ASC Advanced Technology Development and Mitigation (ATDM) sub-program was established in 2014 to develop new simulation tools operating on exascale-class computers to serve NNSA (see Appendix B). Over the course of ATDM, LANL management have set a strategy for exascale-class application codes that follows two supportive and mutually risk-mitigating paths: evolution for established production integrated design codes (IDCs) – with a strong pedigree within the user community – based upon existing programming paradigms(MPI+X); and a new start ATDM project, Ristra, a high-risk/high-reward push for a next-generation multi-physics, multi-scale simulation toolkit based on emerging advanced programming systems(with an initial focus on data-flow task-based models exemplified by Legion). The role of Ristra as the high-risk/high-reward path for LANL’s codes was fully consistent with the goals of ATDM as described in Appendix B, in particular its emphasis on evolving ASC capabilities through novel computing programming models and computing technologies.

97 MATHEMATICS AND COMPUTING↗

Complete Round-Robin Hydrogen Gas Analysis Capability Comparison (Milestone 2.6)

The Department of Energy (DOE) is currently evaluating strategies for the extended dry storage of aluminum-clad spent nuclear fuel (ASNF). Part of this assessment concerns the extent of radiolytic molecular hydrogen (H2) generation from the aluminum cladding’s oxyhydroxide corrosion layers. Understanding this radiation-induced process and the factors effecting it (e.g., system conditions such as temperature and gaseous environment) are essential for the development of predictive computer models to support the Technical Considerations and Challenges for Extended (> 50 yrs) Dry Storage of ASNF program. To achieve this goal and ensure that the experimental data gathered by Task 2 (Oxyhydroxide Layer Radiolytic Gas Generation Resolution) research groups (Idaho National Laboratory and Savannah River National Laboratory) are consistent, a round-robin H2 analysis capability comparison was initiated. Here we present the results from said round-robin and conclude that despite differences in sample preparation, irradiation parameters, and analytical procedures, the measured data are sufficiently consistent between the two laboratories (= 15%).

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

miniGAN: A Generative Adversarial Network proxy application WBS 2.2.6.08 ECP-2.1.3 (Q3 FY2020 Milestone Report) (V.1.0)

In order to support the machine learning co-design needs of ECP applications in current and future DOE HPC hardware, we have developed a generative adversarial network (GAN) proxy application, miniGAN, that has been released through the ECP proxy application suite. The proxy application is representative of the needs of ExaLearn's target applications, specifically the Cosmoflow and ExaGAN cosmology applications and the ExaWind energy application. The proxy application also demonstrates the first use of performance portable kernels within widely-used machine learning frameworks: PyTorch (Facebook) and Horovod (Uber). We provide performance scaling results for similar workloads to ExaGAN and a profile of individual GAN training components.

97 MATHEMATICS AND COMPUTING↗

Milestone 2.8: Preliminary Radiolytic Gas Generation Measurements from Helium-Backfilled Samples

The Department of Energy (DOE) is currently managing nearly 13 metric tons of aluminum-clad spent nuclear fuel (ASNF) with the intention of extended (> 50 years) dry storage in helium-backfilled canisters. Due to in-reactor and cooling pond conditions, oxyhydroxide corrosion layers have formed on the surface of the ASNF elements. These corrosion layers are susceptible to radiolysis and the formation of molecular hydrogen gas (H 2 ) due to the fuel’s inherent radiation field. Consequently, a rigorous evaluation of the effect of helium gas on radiolytic H 2 production is necessary to support the Technical Considerations and Challenges for Extended (> 50 yrs) Dry Storage of ASNF program, especially as previous Task 2 - Oxyhydroxide Layer Radiolytic Gas Generation Resolution work demonstrated a significant effect of gas composition on the radiolytic yield (G-value) of H 2 . Here we report preliminary G-values for the radiolytic formation of H 2 from the gamma irradiation of pre-corroded aluminum alloy 1100 coupons flame sealed in helium environments. Irradiations yielded G(H 2 ) values of (5.1 ± 0.5) x 10 –4 and (9.4 ± 0.9) x 10 –4 µmol J –1 for pristine coupons, and (10.1 ± 0.4) x 10 –4 and (15.1 ± 1.2) x 10 –4 µmol J –1 for pre-corroded coupons for 0% and 50% relative humidity, respectively. These helium environment G(H 2 ) values are between 28% and 58% higher than previously reported values for argon environments. This enhancement is attributed to the significant difference in first ionization energy between helium (24.59 eV) and argon (15.76) facilitating additional processes, e.g., Penning ionization. These new preliminary helium environment G(H 2 ) values will be employed by Task 3 - Sealed and Vented System Episodic Breathing and Gas Generation Prediction to model the effect of radiolytic H 2 accumulation in helium environments to evaluate the practicality of the extended storage standard canister design.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

FEST: Facility Energy Saving and Securing Technology Using Multi-Source Data: (Milestone 2 Report)

This project aims to demonstrate three technologies developed in-house at LLNL and University of Michigan-Dearborn (UMD), at a military site, including i) Grid Data Crossing (called GriD-Xing) for increasing smart meter data usability, ii) Facility Energy Optimization (called Facility E-GO) for improving facility energy efficiency in both operation and planning perspectives, and iii) Co-simulation tool (called Co-Sim) for enhancing smart meter and energy facility networks resilience and security. In this report, Millstone 2 - Integration A: Integrate GriD-Xing and facility optimization tools is documented.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗