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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 55 records · Page 3

Vapor-cavity-QED system for quantum computation and communication

In this work, we propose performing key operations in quantum computation and communication using room-temperature atoms moving across a grid of high-quality-factor, small-mode-volume cavities. These cavities enable high-cooperativity interactions with single atoms to be achieved with a characteristic timescale much shorter than the atomic transit time, allowing multiple coherent operations to take place. We study scenarios where we can drive a Raman transition to generate photons with specific temporal shapes and to absorb, and hence detect, single photons. The strong atom-cavity interaction can also be used to implement the atom-photon controlled-phase gate, which can then be used to construct photon-photon gates, create photonic cluster states, and perform nondemolition detection of single photons. We provide numerics validating our methods and discuss the implications of our results for several applications.

Austin, Sharoon [National Institute of Standards a↗

A Science Gateway for the Repeatable Analysis of Machine Learning Predicted Gravity Anomalies

In recent years, deep learning has become an increasingly popular alternative for modeling in geoscience applications due to its scalability and efficiency. However, the interpretability, compute, data volume, and hyperparameter tuning requirements of deep learning models make development and monitoring difficult. Furthermore, model explainability and communicating results obtained by these models to users or domain experts is a challenge, as domain experts in geoscience also need to have a deep understanding of how those models function in order to support their scientific works. Here, we describe a science gateway and machine learning pipeline for predicting gravity anomalies from geophysical data. The gateway, built on open-source technologies, provides a holistic view of the pipeline through interactive visualizations aimed at enabling efficient exploratory data analysis. The repeatability, reproducibility, and monitoring capabilities of this overall system allow us to iterate and analyze at scale. Using this pipeline and gateway, we can repeatedly produce accurate high-resolution gravity anomaly datasets. By describing the underlying technologies, implementation, and results, here we provide a foundation for the broader adoption of science gateways into cross-cutting geoscience and machine learning research projects as a means to improve the scientific discovery and collaboration in the geophysics and computational sciences community.

58 GEOSCIENCES↗

Apparatus and method for hybrid opto-electrical multichip module

The present disclosure relates to a hybrid opto-electrical module apparatus. The apparatus may have a module substrate having a plurality of electrically conductive circuit traces for carrying electrical signals, and at least one waveguide element for carrying optical signals. A waveguide substrate is in optical communication with the waveguide element. A transducer is supported on the waveguide substrate and in electrical communication with the circuit traces. The waveguide substrate has at least one three dimensional (3D) waveguide formed within its interior volume for routing optical signals between the waveguide element and the transducer. A first optical wirebond interfaces the waveguide element to the 3D waveguide, and a second optical wirebond interfaces the 3D waveguide to the transducer.

Patra, Susant↗

Chimbuko: A Workflow-Level Scalable Performance Trace Analysis Tool

Due to the sheer volume of data it is typically impractical to analyze the detailed performance of an HPC application running at-scale. While conventional small-scale benchmarking and scaling studies are often sufficient for simple applications, many modern workflow-based applications couple multiple elements with competing resource demands and complex inter-communication patterns for which performance cannot easily be studied in isolation and at small scale. This work discusses Chimbuko, a performance analysis framework that provides real-time, in situ anomaly detection. By focusing specifically on performance anomalies and their origin (aka provenance), data volumes are dramatically reduced without losing necessary details. To the best of our knowledge, Chimbuko is the first online, distributed, and scalable workflow-level performance trace analysis framework. We demonstrate the tool's usefulness on Oak Ridge National Laboratory's Summit system.

97 MATHEMATICS AND COMPUTING↗

Chimbuko: A Workflow-Level Scalable Performance Trace Analysis Tool

ABSTRACT Due to the sheer volume of data it is typically impractical to analyze the detailed performance of an HPC application running at-scale. While conventional small-scale benchmarking and scaling studies are often sufficient for simple applications, many modern workflow-based applications couple multiple elements with competing resource demands and complex inter-communication patterns for which performance cannot easily be studied in isolation and at small scale. This work discusses Chimbuko, a performance analysis framework that provides real-time, in situ anomaly detection. By focusing specifically on performance anomalies and their origin (aka provenance), data volumes are dramatically reduced without losing necessary details. To the best of our knowledge, Chimbuko is the first online, distributed, and scalable workflow-level performance trace analysis framework. We demonstrate the tool's usefulness on Oak Ridge National Laboratory's Summit system.

97 MATHEMATICS AND COMPUTING↗

Performance Evaluation of a Two-Dimensional Flood Model on Heterogeneous High-Performance Computing Architectures

This paper describes the implementation of a two-dimensional hydrodynamic flood model with two different numerical schemes on heterogeneous high-performance computing architectures. Both schemes were able to solve the nonlinear hyperbolic shallow water equations using an explicit upwind first-order approach on finite differences and finite volumes, respectively, and were conducted using MPI and CUDA. Four different test cases were simulated on the Summit supercomputer at Oak Ridge National Laboratory. Both numerical schemes scaled up to 128 nodes (768 GPUs) with a maximum 98.2x speedup of over 1 GPU. The lowest run time for the 10 day Hurricane Harvey event simulation at 5 meter resolution (272 million grid cells) was 50 minutes. GPUDirect communication proved to be more convenient than the standard communication strategy. Both strong and weak scaling are shown.

Sharif, Md Bulbul↗

Corrigendum to “Transport of intensity equation: A tutorial” Optics and Lasers in Engineering, Volume 135 (2020) 106187

In this Corrigendum, we correct misprints in equations and figures of the article titled “Transport of intensity equation: a tutorial” Optics and Lasers in Engineering, 135, 106187, 2020.1 These misprints were caused by unanticipated issues in email communication between the authors and the editorial team during the proofreading stage. The authors would like to apologize for any inconvenience caused.

36 MATERIALS SCIENCE↗

Advanced Interactive 3D Visualization Tool for Customizable Analyses of Tomography Datasets in Material Science

Current methods for visualizing and analyzing 3D tomography datasets in materials science often lack the interactivity and depth required for detailed structural insights. This limitation restricts a researchers' ability to accurately interpret complex data, which is critical for advancing material innovations and understanding structural properties. To address this issue, we have developed a novel, web-based interactive 3D visualization and analysis tool from the Trame framework that offers customizable features to enhance data interpretability. The tool allows users to adjust parameters such as visible range, slice planes, data rotation, and layering, providing a more detailed and dynamic view of complex structures. Its user-friendly web interface increases the accessibility and ease of use for both novice and experienced researchers, to visualize large volumetric datasets. The tool supports a diverse range of data formats, making it versatile for various research applications. Unique capabilities include real-time data manipulation, automated feature detection, context-sensitive feedback, and real-time volume calculations and distributions per sliced region or layer, alongside the ability to quickly generate high-quality screenshots and videos for presentations and reports. These advancements offer a comprehensive solution for enhanced 3D data exploration, significantly improving the analysis process and communication of results in materials science.

36 - MATERIALS SCIENCE↗

Recycling Wind Energy Systems in the United States Part 1: Providing a Baseline for America's Wind Energy Recycling Infrastructure for Wind Turbines and Systems

The U.S. investments in building this new wind energy capacity will not only mobilize millions of tons of raw and processed materials in existing supply chains, some of which are critical materials, but also create new types and large volumes of end-of-life (EOL) waste streams. Building efficient, cost-effective, and environmentally responsible EOL management infrastructure of wind energy system components is pivotal in diverting upcoming volumes of waste stream from landfills, recovery of critical materials and reducing life cycle emissions from production of primary commodity materials . The primary goal of this report is to organize and communicate findings from this assessment on how alternate materials, designs and manufacturing processes could enable more efficient, cost-effective, and environmentally responsible disassembly and resource recovery from wind energy technologies. The findings of this assessment could inform prioritization of RD&D investment spending to meet Energy Act of 2020 directions. This assessment focused on key RD&D recommendations for three main temporal phases: Short-term (2023-2026), medium-term (2026 through 2035) and long-term (beyond 2035).

17 WIND ENERGY↗

Architecture Of A Multi-channel Data Streaming Device With An Fpga As A Coprocessor

The design of a data acquisition system often involves the integration of a Field Programmable Gate Array (FPGA) with analog front-end components to achieve precise timing and control. Reuse of these hardware systems can be difficult since they need to be tightly coupled to the communications interface and timing requirements of the specific ADC used. A hybrid design exploring the use of FPGA as a coprocessor to a traditional CPU in a dataflow architecture is presented. Reduction in the volume of data and gradual transitioning of data processing away from a hard real-time environment are both discussed. Chief design concerns, including data throughput and precise synchronization with external stimuli, are addressed. The discussion is illustrated by the implementation of a multi-channel digital integrator, a device based entirely on commercial off-the-shelf (COTS) equipment.

Nogiec, Jerzy M.↗

ArborX

ArborX library tackles a problem of efficiently finding geometric objects that are close in space. Variations of this problem, such as finding the nearest neighbors of a point, or finding all objects within a certain distance, are inherent components of applications in many fields. The data may be large so that solving the problem efficiently may require significant computational resources, such as multiple processors or accelerators such as general purpose GPUs. ArborX' main advantage in its ability to solve large problems efficiently utilizing a combination of distributed and on-node parallelism. ArborX can be run efficiently on a wide variety of hardware, including GPUs from different vendors, which distinguishes it from other available libraries which typically choose only few of these. The other advantage is that it supports both types of user problems: spatial problems (useful for intersections and finding objects within certain distance), and nearest neighbor problems. ArborX also supports flexible interface in its interaction with a user. Particularly, it allows a user to call user's own function on a positive match, a functionality not rarely available in other libraries. ArborX implements construction and traversal algorithms using efficient tree structures, such as bounding volume hierarchy (BVH). At its core, it uses linear BVH for its low construction cost and sufficient quality. ArborX is written using C++, and is parallelized using the message passing interface (MPI) for the distributed communication, and the Kokkos library for on-node parallelism. This approach allows ArborX to be run on a wide variety of hardware, from common laptops and desktops to supercomputers while using the same codebase. ArborX also implements several advanced algorithms using geometric search, such as density-based clustering algorithm DBSCAN.

ECP↗

Comparison of experimental and computational methods for discharge measurements from tidal wetlands

This short communication describes the use and comparison of three methods used to calculate the flow discharge from a tidal wetland stream. The techniques presented are a) bottom-mounted ADCP deployments, b) vessel-mounted ADCP transects, and c) a volume inundation spatial model that relies on a high-resolution LiDAR dataset and time-series of water surface elevation data. The relative agreement between these three methods is used to build confidence in the application of these techniques to the challenge of deducing flow discharge from tidal wetlands.

54 ENVIRONMENTAL SCIENCES↗

Improving MPI Collective I/O for High Volume Non-Contiguous Requests With Intra-Node Aggregation

Two-phase I/O is a well-known strategy for implementing collective MPI-IO functions. It redistributes I/O requests among the calling processes into a form that minimizes the file access costs. As modern parallel computers continue to grow into the exascale era, the communication cost of such request redistribution can quickly overwhelm collective I/O performance. In this study, this effect has been observed from parallel jobs that run on multiple compute nodes with a high count of MPI processes on each node. Furthermore, to reduce the communication cost, we present a new design for collective I/O by adding an extra communication layer that performs request aggregation among processes within the same compute nodes. This approach can significantly reduce inter-node communication contention when redistributing the I/O requests. We evaluate the performance and compare it with the original two-phase I/O on Cray XC40 parallel computers (Theta and Cori) with Intel KNL and Haswell processors. Using I/O patterns from two large-scale production applications and an I/O benchmark, we show our proposed method effectively reduces the communication cost and hence maintains the scalability for a large number of processes.

97 MATHEMATICS AND COMPUTING↗

The ABACUS cosmological N -body code

We present abacus, a fast and accurate cosmological N-body code based on a new method for calculating the gravitational potential from a static multipole mesh. The method analytically separates the near- and far-field forces, reducing the former to direct 1/r 2 summation and the latter to a discrete convolution over multipoles. The method achieves 70 million particle updates per second per node of the Summit supercomputer, while maintaining a median fractional force error of 10 -5 . We express the simulation time-step as an event-driven ‘pipeline’, incorporating asynchronous events such as completion of co-processor work, input/output, and network communication. abacus has been used to produce the largest suite of N-body simulations to date, the abacussummit suite of 60 trillion particles, incorporating on-the-fly halo finding. abacus enables the production of mock catalogues of the volume and resolution required by the coming generation of cosmological surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

OPER: Optimality-Guided Embedding Table Parallelization for Large-scale Recommendation Model

With the sharp increasing volume of user data, Deep Learning Recommendation Model (DLRM) becomes an indispensable infrastructure in large technology companies. However, large-scale DLRM on the multi-GPU platform is still inefficient due to unbalanced workload partitioning and intensive inter-GPU communication. To this end, we propose OPER, an OPtimality guided Embedding table placement for large-scale Recommendation model training and inference. OPER explores the potential of mitigating remote memory access latency in DLRM through fine-grained embedding table placement. Specifically, OPER proposes a theoretical modeling that builds up the relationship between EMT placement and the embedding communication latency in both training and inference. OPER proves the NP hardness of finding the optimal embedding table placement and proposes a heuristic algorithm that yields near optimal placement. OPER implements a SHMEM-based embedding table training system and a unified embedding index mapping to support fine-grained embedding table sharding and placement. Comprehensive experiments reveal that OPER achieves on average 3.4× and 5.1× speedup on training and inference respectively over state-of-the-art DLRM frameworks.

Wang, Zheng↗

Scalable FBP decomposition for cone-beam CT reconstruction

Filtered Back-Projection (FBP) is a fundamental compute intense algorithm used in tomographic image reconstruction. Cone-Beam Computed Tomography (CBCT) devices use a cone-shaped X-ray beam, in comparison to the parallel beam used in older CT generations. Distributed image reconstruction of cone-beam datasets typically relies on dividing batches of images into different nodes. This simple input decomposition, however, introduces limits on input/output sizes and scalability.We propose a novel decomposition scheme and reconstruction algorithm for distributed FPB. This scheme enables arbitrarily large input/output sizes, eliminates the redundancy arising in the end-to-end pipeline and improves the scalability by replacing two communication collectives with only one segmented reduction. Finally, we implement the proposed decomposition scheme in a framework that is useful for all current-generation CT devices (7th gen). In our experiments using up to 1024 GPUs, our framework can construct 40963 volumes, for real-world datasets, in under 16 seconds (including I/O).

Chen, Peng↗

Gigahertz-frequency acousto-optic phase modulation of visible light in a CMOS-fabricated photonic circuit

Optical phase modulators operating at visible wavelengths are essential components for photonic technologies such as those for quantum control, communications, and laser ranging. However, they remain challenging to implement in scalable, integrated platforms capable of handling high optical powers. Here we present a visible-light, gigahertz-frequency acousto-optic phase modulator, fabricated on a 200-mm wafer in a volume CMOS foundry, that supports greater than 500 mW of optical power at 730 nm. The device combines a piezoelectric transducer and a photonic waveguide within a single, wavelength-scale structure that confines both a propagating optical mode and an electrically excitable breathing-mode mechanical resonance. By tuning the device’s geometry to optimize the optomechanical interaction, we achieve modulation depths up to 4.85 rad with 80 mW of applied microwave power at 2.31 GHz in a 2-mm-long device. This corresponds to resonant modulation figures of merit of V π = 1.32V and V π ⋅ L = 0.26V cm. To our knowledge, this is the lowest V π ever demonstrated in any acousto-optic phase modulator and represents a 15-fold reduction in V π and a 100-fold reduction in required microwave power relative to state-of-the-art modulators with high visible-wavelength power handling commonly employed in quantum control systems.

Freedman, Jacob M. [Univ. of Arizona, Tucson, AZ (↗

Developing And Scaling an OpenFOAM Model to Study Turbulent Flow in a HFIR Coolant Channel

Improving the understanding of how computational fluid dynamics (CFD) direct numerical simulations (DNS) of flows in the High Flux Isotope Reactor (HFIR) perform when run in parallel using the high performance computing (HPC) platform Summit at the Oak Ridge Leadership Computing Facility (OLCF) is of particular importance to boost the computational tools used to support HFIR conversion to low enriched fuel (LEU). Evaluation of scaling performance was driven by the increasing importance of graphics processing unit (GPU) usage in HPC, which is becoming the standard for modern supercomputers such as Summit. The desired results are to obtain a strong positive correlation between the computational resources dedicated to a problem and the relative speed-up of the simulation in comparison to a benchmark. This capability will allow substantially improvement in HFIR flow analytical capabilities, specifically when predicting turbulence properties at high Reynolds numbers. The study leverages previous simulation results performed with code PHASTA (finite element) on HPC platforms Cori (NERSC) and Theta (ALCF) [1] with computing options provided in the computing platform OpenFOAM (finite volume) at OLCF. Transitioning from PHASTA to OpenFOAM will (1) eliminate dependence on third-party software for mesh generation and manipulation, (2) reduce resource needs by employing modern architectures, and (3) build expertise for future modeling of HFIR-specific problems like heat transfer in involute geometry, entrance effects, flow structure in channel corners, and so on—all important issues when defining the available thermal margins in the transition to LEU. CPUs and GPUs differ significantly in their architecture and utilization, as discussed in the literature [2]. The most important differences are in the approach to computations and their memory. A single GPU contains a large quantity of cores, enabling it to perform with a much higher throughput than a CPU, but execution requires a different approach. GPU codes execute instructions using the Single-Instruction Multiple-Thread (SIMT) approach in which a single instruction is used for groups of threads called warps. A warp typically consists of 32 threads which must execute the same set of instructions, although on separate threads. Alternately, a CPU has far fewer cores that are much more flexible in their operation, excelling at quickly performing more complex serial computations. This is why GPUs have greater throughput when properly utilized. The second important difference is seen when comparing their memory spaces. Limited memory allocations and CPU–GPU communications cause a significant bottleneck in GPU-accelerated programs. Further study was required to properly take advantage of GPU resources. A comprehensive analysis of code performance and the model-specific features of turbulence constitutes the core of this work. In this study, a DNS simulation of HFIR channel turbulence was performed with the finite volume CFD code OpenFOAM v2112 and CUDA v11.0 on Red Hat Enterprise Linux v8.2. The OpenFOAM installation had AMGx integrated to enable GPU acceleration and utilizes the PETSc4FOAM library. The computational resources and the problem size were scaled on CPU and CPU + GPU architectures to gain a better understanding of the performance of a DNS problem on modern computing hardware. The study aimed to analyze the scaling of the code exclusively on CPUs and then to examine the scaling of the codes with GPU acceleration enabled. Scaling studies included CPU and GPU acceleration on a mesh of varying resolution to analyze the impact of problem size relative to computational resources. In the course of preparing the GPU configuration on Summit, mainly using the AMGX solvers, difficulties were encountered stemming from constant changes resulting from extensive ongoing development activities and the changing environment. This resulted in the inability to complete the GPU portion of the work. The code was compiled and tested, but production runs to assess acceleration were not performed because the used discretional compute time allocation expired as year-end approached. The Summit HPC platform is scheduled for decommissioning in 2024, making it unattractive for future use with Nvidia-based GPUs. Therefore, the work will be moved onto NERSC machines in FY24. An application was prepared and submitted, and sufficient node-hours were awarded to continue the research in the next calendar year. This report summarizes work performed thus far, which mostly focused on CPU OpenFOAM computing.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗