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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 181 records · Page 10

Machine learning and deep learning tools for the automated capture of cancer surveillance data

The National Cancer Institute and the Department of Energy strategic partnership applies advanced computing and predictive machine learning and deep learning models to automate the capture of information from unstructured clinical text for inclusion in cancer registries. Applications include extraction of key data elements from pathology reports, determination of whether a pathology or radiology report is related to cancer, extraction of relevant biomarker information, and identification of recurrence. With the growing complexity of cancer diagnosis and treatment, capturing essential information with purely manual methods is increasingly difficult. These new methods for applying advanced computational capabilities to automate data extraction represent an opportunity to close critical information gaps and create a nimble, flexible platform on which new information sources, such as genomics, can be added. This will ultimately provide a deeper understanding of the drivers of cancer and outcomes in the population and increase the timeliness of reporting. These advances will enable better understanding of how real-world patients are treated and the outcomes associated with those treatments in the context of our complex medical and social environment.

60 APPLIED LIFE SCIENCES↗

Space-time dependent thermal conductivity in nonlocal thermal transport

Nonlocal thermal transport is generally described by the Peierls-Boltzmann transport equation (PBE). However, solving the PBE for a general space-time dependent problem remains a challenging task due to the high dimensionality of the integro-differential equation. In this work, we present a direct solution to the space-time dependent PBE with a linearized collision matrix using an eigendecomposition method. We show that there exists a generalized Fourier-type relation that links heat flux to the local temperature, and this constitutive relation defines a thermal conductivity that depends on both time and space. Combining this approach with ab initio calculations of phonon properties, we demonstrate that the space-time dependent thermal conductivity gives rise to an oscillatory response in temperature in a transient grating geometry in high thermal conductivity materials. The present solution method allows us to extend the reach of our computational capability for heat conduction to space-time dependent nondiffusive transport regimes. Here, this capability will not only enable a more accurate interpretation of thermal measurements that observe nonlocal thermal transport, but also enhance our physical understanding of nonlocal thermal transport in high thermal conductivity materials that are promising candidates for nanoscale thermal management applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A Hybrid Dynamic/Steady-State Tool With Protection Simulation for Cascading-Outage Analysis of Extreme Events in Power Systems

The bulk electric power grid is subject to vulnerabilities from component outages, which in certain combinations (extreme events) might lead to cascading outages. Some of these outages can be severe enough to trigger brownouts and blackouts. Much is known about mitigating the first few failures near the beginning of a cascade, but there are few established methods and tools for directly analyzing the risks of cascading component outages over a longer time scale. Current power system tools have limited ability to perform detailed and accurate cascading-outage analysis, which could be computationally intensive. The Dynamic Contingency Analysis Tool (DCAT) enables power system planning engineers to more realistically assess the consequences of extreme contingencies and potential cascading events across their systems and interconnections. DCAT has several unique features: (i) detailed hybrid dynamic and steady-state analysis of power systems to mimic real-world cascading outages, (ii) detailed modeling of protection systems embedded in the dynamic simulation, (iii) simulation of corrective action after transients, (iv) simulation of islanding , and (v) high-performance computing capability to simulate a large number of contingencies in a reasonable time. DCAT outputs will help find technically sound solutions to reduce the risk of cascading outages. This paper provides details of DCAT methodology and shows its capabilities with extreme events on real-world cases.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Advancing the Frontiers of Deep Learning for Low-Dose 3D Cone-Beam CT Reconstruction

X-ray computed tomography (CT) is an important noninvasive medical imaging modality for studying the structural details of internal organs. Image reconstruction in CT is an inverse problem of recovering an object's internal structure from the absorption profile of X-ray beams (sinogram) measured using a detector. The classical variational approach for CT reconstruction minimizes an energy functional using an appropriate iterative algorithm. Motivated by the success of deep learning (DL), researchers have begun to leverage training data and enhanced computing capabilities in recent years to produce high-fidelity reconstructed images. Nonetheless, much of the academic research in DL algorithms for CT has focused primarily on the two-dimensional setting (with simplified forward operators and noise model) for proofs-of-concept, and a comprehensive benchmarking of various classical and data-driven CT reconstruction approaches has not beenundertaken. The key objective of our CT reconstruction grand challenge was to promote methodological advancements for both classical and DL-based approaches for clinical CT with a reasonably accurately simulated 3D CT forward operator and noise model. We have utilized the publicly available LIDC-IDRI dataset and simulated sinograms and FDK images corresponding to two dose levels (clinical- and low-dose, constituting two tracks of the challenge) starting from the normal-dose images as the ground truth. In this paper, we summarize the motivation, context, and results of our challenge, and highlight the future research directions in DL for clinical CT.

X-ray tomography↗

Sensitivity analysis of the technical and economic feasibility of converter-interfaced CHP System

The adoption of small-to-medium sized (1MW~20MW) combined heat and power (CHP) system is lagging, especially in industrial and commercial applications. Our prior research has proved that interfacing CHP with grid-ready converters can increase its economic value and technical benefits; this paper is focused on investigating the critical parameters impacting profitability of converter-interfaced CHP, including CHP sizing scenario, energy price, generator cost, converter cost, voltage support price, converter to engine size ratio and interconnection delay. An automatic toolkit for evaluating CHP return on investment (ROI) is developed to enhance the computation capability and efficiency. Based on varying the value of critical parameters, 975 use cases are analyzed. Results show that the profitability of converter-interfaced CHP over directly-coupled CHP is more sensitive to energy price, delays in interconnection process, converter cost and much less to generator cost or voltage support price.

converter, CHP, ROI, economic feasibility, sensiti↗

Evaluating Modern GPU Interconnect: PCIe, NVLink, NV-SLI, NVSwitch and GPUDirect

High performance multi-GPU computing becomes an inevitable trend due to the ever-increasing demand on computation capability in emerging domains such as deep learning, big data and planet-scale simulations. However, the lack of deep understanding on how modern GPUs can be connected and the real impact of state-of-the-art interconnect technology on multi-GPU application performance become a hurdle. In this paper, we fill the gap by conducting a thorough evaluation on five latest types of modern GPU interconnects: PCIe, NVLink-V1, NVLink-V2, NVLink-SLI and NVSwitch, from six high-end servers and HPC platforms: NVIDIA P100-DGX-1, V100-DGX-1, DGX-2, OLCF’s SummitDev and Summit supercomputers, as well as an SLI-linked system with two NVIDIA Turing RTX-2080 GPUs. Based on the empirical evaluation, we have observed four new types of GPU communication network NUMA effects: three are triggered by NVLink’s topology, connectivity and routing, while one is caused by PCIe chipset design issue. These observations indicate that, for a multi-GPU application running in a multi-GPU node, choosing the right GPU combination can impose considerable impact on GPU communication efficiency, as well as an application’s overall performance. Our evaluation can be leveraged in building practical multi-GPU performance models, which are vital for GPU task allocation, scheduling and migration in a shared environment (e.g., AI cloud and HPC centers), as well as communication-oriented performance tuning.

Performance Evaluation, GPU, Interconnect, NUMA, P↗

Accelerating Binarized Neural Networks via Bit-Tensor-Cores in Turing GPUs

Despite foreseeing tremendous speedups over conventional deep neural networks, the performance advantage of binarized neural networks (BNNs) has merely been showcased on general-purpose processors such as CPUs and GPUs. In fact, due to being unable to leverage bit-level-parallelism with a word-based architecture, GPUs have been criticized for extremely low utilization (1%) when executing BNNs. Consequently, the latest tensorcores in NVIDIA Turing GPUs start to experimentally support bit computation. In this work, we look into this brand new bit computation capability and characterize its unique features. We show that the stride of memory access can significantly affect performance delivery and a data-format co-design is highly desired to support the tensorcores for achieving superior performance than existing software solutions without tensorcores. We realize the tensorcore-accelerated BNN design, particularly the major functions for fully-connect and convolution layers — bit matrix multiplication and bit convolution. Evaluations on two NVIDIA Turing GPUs show that, with ResNet-18, our BTC-BNN design can process ImageNet at a rate of 5.6K images per second, 77% faster than state-of-the-art. Our BNN approach is released on https://github.com/pnnl/TCBNN.

Li, Ang↗

Distribution System Behind-the-Meter DERs: Estimation, Uncertainty Quantification, and Control

This paper summarizes the three-year technical activities of the IEEE Task Force (TF) on behind-the-meter (BTM) distributed energy resources (DERs): estimation, uncertainty quantification, and control. The potential grid services from BTM DERs are discussed in detail. The paper also reviews the state-of-the-art for BTM DERs visibility, uncertainty quantification, and, optimization and control. Furthermore, different aspects of the market structures associated with BTM DERs are covered, including emerging market and business models. Finally, needs and recommendations are provided for additional areas such as system protection, computing capabilities, algorithm development, market structure design, cyberinfrastructure and security, and hardware and software developments.

behind-the-meter↗

Applied Mathematics Challenge: Simulation of Power Electronics in Future Power Grid

There has been a buzz around increased grid modernization for more than a decade. Grid modernization includes, but is not limited to, upgrades to the grid to enhance reliability, resilience, security, and access to clean energy sources. One significant change that has been happening in this context is the increased penetration of computing power and controlled devices like power electronics in the power grid. As this change happens, the operation and characteristics of the power grid are set to undergo a significant change. The power grid moves from an older electric machine dominated grid that used analog electronics for controls to a power electronics dominated grid that uses digital computing for controls. As this transition happens, there are significant problems of applied mathematics that will need to be resolved in power electronics and power grid. The problems include the ability to simulate in different timescales, while also leveraging the significantly improved computing capabilities available today. In this paper, the challenges related to simulation of power electronics are discussed and the challenge problems laid down that applied mathematics may help resolve in future.

Debnath, Suman↗

AMRIC: A Novel In Situ Lossy Compression Framework for Efficient I/O in Adaptive Mesh Refinement Applications

As supercomputers advance towards exascale capabilities, computational intensity increases significantly, and the volume of data requiring storage and transmission experiences exponential growth. Adaptive Mesh Refinement (AMR) has emerged as an effective solution to address these two challenges. Concurrently, error-bounded lossy compression is recognized as one of the most efficient approaches to tackle the latter issue. Despite their respective advantages, few attempts have been made to investigate how AMR and error-bounded lossy compression can function together. To this end, this study presents a novel in-situ lossy compression framework that employs the HDF5 filter to improve both I/O costs and boost compression quality for AMR applications. We implement our solution into the AMReX framework and evaluate on two real-world AMR applications, Nyx and WarpX, on the Summit supercomputer. Experiments with 512 cores demonstrate that AMRIC improves the compression ratio by 81X and the I/O performance by 39X over AMReX's original compression solution.

Wang, Daoce↗

pnnl/openstudio-building-energy-standard-measures-gem

The OpenStudio Building Energy Standards Measure Repository is a comprehensive collection of innovative OpenStudio measures designed to facilitate energy code analysis. OpenStudio is a cutting-edge platform brings together physics-based building energy modeling (BEM), BEM process automation, and large-scale computing capabilities. Contains OpenStudio Standards Performance Rating Method Measure (IPID 32936) and OpenStudio Measure to Generate IPLV-specific Chiller Performance Curves for Chillers (IPID 32940)

Xu, Weili [PNNL]↗

Development and verification of the pyIsoDep depletion package for nuclear thermal propulsion reactors

Nuclear thermal propulsion technology is currently being developed by the National Air and Space Administration for future manned Mars missions. There are multiple on-going activities to develop and enhance computational capabilities, single- and multi-physics, to advance the readiness level of this technology. The prediction of short-lived fission products is crucial to understand the reactivity penalty and the decay heat production during the different burnout stages of the vehicle. Generally, the solution entails coupled neutronic-depletion analysis. However, such simulations are somewhat expensive, especially if the duration of each engine burn is to be optimized. Therefore, there is a need to complement such high-fidelity techniques with time-efficient alternatives that do not require the sequential neutronic and depletion analysis. This paper details the methods and capabilities of pyIsoDep, an open-source code used for depletion analysis of nuclear thermal propulsion reactors. The package is general, in principle, and thus can be applied to any fission system, and can potentially be extended for fusion systems. The package was developed to provide a flexible and efficient alternative to pre-existing higher order depletion codes that could integrate well into mission and transient analysis of nuclear thermal propulsion reactors. Finally, this paper presents a validation and verification of pyIsoDep against analytical and Serpent-generated solutions. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

EDX ClaiMM

EDX ClaiMM is a centralized data & analytical platform designed to revolutionize U.S. critical minerals and materials (CMM) activities. By providing a robust digital infrastructure, ClaiMM will accelerate the combination, leveraging, and rapid utilization of vital data, advanced tools, and cutting-edge research advancements in CMM. This adaptive digital research hub connects the CMM community to essential knowledge products and offers access to interoperable datasets, databases, models, software, and tools from the National Energy Technology’s (NETL’s) Energy Data eXchange (EDX) and other authoritative sources, serving both public and private sectors. EDX ClaiMM delivers AI-informed solutions to address fundamental knowledge gaps and fosters the innovation of new techniques for enhanced characterization and recovery of CMMs within the U.S. By leveraging cloud-hosted, scalable digital infrastructure, ClaiMM meets public–private applied energy needs. It equips the CMM community with priority digital resources that harness on-site and cloud compute capabilities, enabling big data storage, advanced processing, analytics, and visualization.

Critical Materials; Critical Minerals; Rare Earth ↗

Management of Risk and Uncertainty Through Optimized Co-Operation of Transmission Systems and Microgrids with Responsive Loads (Final Report)

The evolution of the power system to the reliable, efficient and sustainable system of the future will involve development of both demand- and supply-side technology and operations. Ambitious national and state-level goals around the decarbonization of electricity relies on the integration of very high levels of renewable resources, most of which are variable and intermittent. The use of demand response is an ideal approach to counterbalance the intermittency of renewable generation and brings the consumer into the spotlight. Until recently, very little research had been conducted on the co-optimization of these two systems due to computational limitations. However, advances in computational capabilities, and the judicious use of decomposition methods and innovative approximation methods for high-dimension dynamic programming made this goal a viable objective for this project, leading to a fundamental shift in the ability to integrate and fully utilize demand-side resources. To this end, the modeling framework developed introduces a novel co-optimization framework, to include the operations of both the transmission and distribution systems (or microgrids) in operational decision making. This framework was used to analyze renewable and distributed generation along with responsive demand and to compare the capability of co-optimized systems to perform with higher levels of variable renewables. Results show that the use of a bi-level optimization approach is an appropriate structure, capable of co-optimizing a transmission system with multiple distribution systems and microgrids. While increasing the number of connected systems provides increasing flexibility for renewables integration this can also the economic benefits to the low-voltage subsystems with each additional system connected. Comparison of a traditional single-level decision structure with the co-optimization approach illustrates a reduction in overall system cost under co-optimization, while specific cost allocations to transmission and distribution systems are changed.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Experimental Study of the Fundamental Properties of Warm Dense Mixtures

The aim of the proposed research was to provide a multi-scale study of the properties of warm dense hydrocarbons, by studying the thermodynamic properties through the equation of state and the microscopic properties by x-ray scattering. Understanding the fundamental properties of warm dense mixtures is an intellectual challenge due to the complexity of the system. Unlike liquids or gases, where constituent particle interactions occur through collisions or bonding between valence electrons, in these strongly coupled systems the atoms will be partially ionized and compressed so tightly together that interactions between the inner core electrons can play a role in the systems chemistry. Advances in computational capabilities and development of new theoretical models have been used to predict the properties of mixtures but there is currently no experimental data of the fundamental interaction between the particles in mixtures to test these predictions against. The proposed research was to experimentally investigate the interaction of the different species in hydrocarbons by measuring the compressibility of substances with different carbon and hydrogen ratios and the complexity of the microscopic interactions through elastic and inelastic x-ray scattering. To study the bulk properties of warm dense hydrocarbons we established the Warm Dense Matter Research Laboratory (WDMRL) in the Institute for Shock Physics at Washington State University. The goal was for experiments in the WDMRL to determine shock loading conditions of interest in the hydrocarbon mixtures. We planned on using Hugoniot EOS measurements and a range of carbon and hydrogen concentrations to determine conditions when the EOS of the mixture varied significantly from that of the classical mixing model. Even though shock transit measurements through aluminum foils suggested pressures upto 400GPa, the experiments in the WDMRL were unsuccessful in getting usable shockwave compression data above 100GPa in polystyrene which was below the pressure of interest for hydrocarbon mixtures (>200GPa). To complete the project, we tested a technique using x-ray phase contrast imaging to map the location of tracer layers in a test sample of polycarbonate to record the material motion in dynamically compressed samples. A technique that will be useful for future warm dense matter experiments. These experiments used <200nm gold layers in polycarbonate samples to measure the material velocity and shock speed using x-ray phase contrast imaging. These results were compared to continuum surface measurements performed at ISP and show that the tracer layer technique can measure hydrodynamic properties accurately in dynamically compressed materials.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Evaluation & Development of Algorithms & Techniques for Streaming Detector Readout

The advancement in microelectronics capabilities, computing, and data science in the last decade has been remarkable. With the start of the 12 GeV Science Program at Jefferson Lab (JLab) and the conceptual detector design for the upcoming Ion Collider (EIC) in mind, we have evaluated and developed the possibility of evolving and improving the existing nuclear science research workflow based on these advances. Specifically, we have prototyped components of streaming readout.

43 PARTICLE ACCELERATORS↗

Integrated and dynamic multi-spectroscopic in situ imaging of plant metabolism at the level of subcellular compartments. Final Report

The goals of this project was to develop integrated multi-spectral molecular imaging technologies (Raman, fluorescence, and mass spectrometry), that can assess, and image metabolic processes at the cellular and subcellular levels of plant organs. These imaging technologies were developed in the context of computational capabilities that integrated multi-spectral images with genome scale models of metabolism. The integrated molecular imaging technologies were developed in the biological context of autophagy that remodels membrane lipid topologies, which control spatially defined subcellular regions within plant cells and optimizes plant biomass productivity during environmental stresses that can limit biomass productivity.

09 BIOMASS FUELS↗