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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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12 records

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DOE OSTI2015

A lock-free priority queue design based on multi-dimensional linked lists

The throughput of concurrent priority queues is pivotal to multiprocessor applications such as discrete event simulation, best-first search and task scheduling. Existing lock-free priority queues are mostly based on skiplists, which probabilistically create shortcuts in an ordered list for fast insertion of elements. The use of skiplists eliminates the need of global rebalancing in balanced search trees and ensures logarithmic sequential search time on average, but the worst-case performance is linear with respect to the input size. In this paper, we propose a quiescently consistent lock-free priority queue based on a multi-dimensional list that guarantees worst-case search time of O(logN) for key universe of size N. The novel multi-dimensional list (MDList) is composed of nodes that contain multiple links to child nodes arranged by their dimensionality. The insertion operation works by first injectively mapping the scalar key to a high-dimensional vector, then uniquely locating the target position by using the vector as coordinates. Nodes in MDList are ordered by their coordinate prefixes and the ordering property of the data structure is readily maintained during insertion without rebalancing nor randomization. Furthermore, in our experimental evaluation using a micro-benchmark, our priority queue achieves an average of 50% speedup over the state of the art approaches under high concurrency.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Next Generation Chemical Agent Detection Architecture [Poster]

Sandia National Labs (SNL)-designed, portable chemical warfare agent (CWA) detection systems consist of three-stages: collection, separation, and detection. We use microfabrication technologies to miniaturize these stages and to reduce the overall size, weight, power, and (potentially) cost of the final system. Our newest system consists of a multi-dimensional separation stage and an miniature ion mobility spectrometer (IMS) detector for unprecedented system sensitivity, selectivity, and depth of target list.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

DOE OSTI2020

STOCHASTIC OPTIMIZATION FOR LONG TERM CAPITAL STRUCTURES, SYSTEMS, AND COMPONENTS REFURBISHMENT AND REPLACEMENT

As commercial nuclear power plants (NPPs) pursue extended plant operations in the form of Second License Renewals (SLRs), opportunities exist for these plants to provide capital investments to ensure long-term, safe, and economic performance. Several utilities have already announced their intention to pursue extended operations for one or more of their NPPs via SLR2. The goal of this research is to develop a riskinformed approach to evaluate and prioritize plant capital investments made in preparation for, and during the period of, extended plant operations to support decisions in NPP operations. In order to prioritize project selection via a riskinformed approach we developed a single decision-making tool that integrates safety/reliability, cost, and stochastic optimization models to provide users with data analysis capabilities to more cost effectively manage plant assets. Both stochastic analysis methods—such as Monte Carlo-based sampling strategies—and multi-stage stochastic optimization strategies are employed to provide priority lists to decisionmakers in support of risk-informed decisions. We applied the proposed method to a trial application of projected replacement/refurbishment expenditures for plant capital assets (i.e., Structures, Systems, and Components [SSCs]). The objective is to optimize the SSC replacement/refurbishment schedule in terms of economic constraints, data uncertainties, and SSC reliability data, as well to generate a priority list for maximizing returns on investment.

42 ENGINEERING↗

DOE OSTI2020

An Analysis of System Balance and Architectural Trends Based on Top500 Supercomputers

Supercomputer design is a complex, multi-dimensional optimization process, wherein several subsystems need to be reconciled to meet a desired figure of merit performance for a portfolio of applications and a budget constraint. However, overall, the HPC community has been gravitating towards ever more FLOPS, at the expense of many other subsystems. To draw attention to overall system balance, in this paper, we analyze balance ratios and architectural trends in the world's most powerful supercomputers. Specifically, we have collected performance characteristics of systems between1993 and 2018 based on the Top500 lists, and then analyzed their architectures from diverse system design perspectives. Notably, our analysis studies the performance balance of the machines, across a variety of subsystems such as compute, memory, I/O, interconnect, intra-node connectivity and power. Our analysis reveals that balance ratios of the various subsystems need to be considered carefully alongside the application workload portfolio to provision the subsystem capacity and bandwidth specifications, which can help achieve optimal performance.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

An Analysis of System Balance and Architectural Trends Based on Top500 Supercomputers

Supercomputer design is a complex, multi-dimensional optimization process, wherein several subsystems need to be reconciled to meet a desired figure of merit performance for a portfolio of applications and a budget constraint. However, overall, the HPC community has been gravitating towards ever more Flops, at the expense of many other subsystems. To draw attention to overall system balance, in this paper, we analyze balance ratios and architectural trends in the world’s most powerful supercomputers. Specifically, we have collected the performance characteristics of systems between 1993 and 2019 based on the Top500 lists and then analyzed their architectures from diverse system design perspectives. Notably, our analysis studies the performance balance of the machines, across a variety of subsystems such as compute, memory, I/O, interconnect, intra-node connectivity and power. Our analysis reveals that balance ratios of the various subsystems need to be considered carefully alongside the application workload portfolio to provision the subsystem capacity and bandwidth specifications, which can help achieve optimal performance.

Khan, Awais↗

DOE OSTI2023

PRIMED for the Future: Purposing Raw Intake for Machine Learning-Enabled Detection

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Properties and Controlling Processes of Aerosol and Cloud Condensation Nuclei in Marine Boundary Layer Over Eastern North Atlantic (Final Report)

Remote marine low cloud systems have large spatial and temporal coverages. Because of their relatively low optical thickness and background aerosol concentrations, marine low clouds are particularly susceptible to perturbations in aerosols associated with anthropogenic emissions. Recent studies show that a large fraction of the global aerosol indirect forcing can be attributed to changes in marine low clouds, despite their relatively long distance from most anthropogenic sources. Currently, there remain large uncertainties in the magnitude of the global aerosol indirect radiative forcing. One major contribution to this large uncertainty derives from poor understanding of the aerosols under natural conditions, the perturbation by anthropogenic emissions, and the processes that drive them. In this project, we took advantage of the comprehensive, multi-dimensional characterization of meteorological parameters, trace gases, aerosol, cloud, and drizzle fields during the Aerosol and Cloud Experiments in Eastern North Atlantic (ACE-ENA) and the long-term measurements at the Atmospheric Radiation Measurement (ARM) Eastern North Atlantic (ENA) site on Graciosa Island. By synergistically combining in situ measurements, remote sensing retrievals, and model simulations, we quantified aerosol properties in the ENA, their vertical profiles, and variations with season, synoptic state, and airmass. We investigated key aerosol processes, including entrainment of free troposphere aerosol into marine boundary layer, new particle formation, growth of Aitken mode particles, and the influences of these processes on the cloud condensation nuclei (CCN) population in marine boundary layer. The representation of key aerosol processes in the Energy Exascale Earth System Model (E3SM) was evaluated using the observations. This project has led to 26 publications, which are listed at the end of this report.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Tracking Radioactive Isotopes in HVAC and Application for Hot Cell Analyses - 20155

In recent years, the surge in the number of isotope production facilities under design has increased the need to analyze isotope migration in facility Heating, Ventilation, and Air Conditioning (HVAC) during normal operations and accident scenarios. These facilities are used to produce isotopes for medical, security, and industrial applications and as such are subject to license and regulatory requirements 10CFR20, 10CFR30, 10CFR50, and 10CFR70. GOTHIC, a general-purpose thermal-hydraulics software package, includes the ability to model isotopic tracers, radioactive decay and isotope migration as well as HEPA and charcoal filters for isotope retention. A GOTHIC model was developed by Zachry Nuclear Engineering (ZNE) to examine the effect of negative room pressure, HEPA filtration, and HVAC fluctuations on radiation areas, hot cells and gloveboxes. Radioactive tracers were used to simulate the concentration of spills within contaminated areas, track the migration of isotopes of interest, and determine the isotopic retention and buildup on facility HEPA filters. A variety of isotopes with concern to dose (e.g., Kr-85, Sr-90, I-131, etc.), including their decay and progeny, are included in the analysis. Negative pressures are maintained in the regions of interest by a representative central HVAC system equipped with a volumetric fan that exhausts to the environment after a series of isolation valves and HEPA filters. GOTHIC is an industry trusted tool for providing engineering solutions for a variety of applications, including fission product tracking, aerosol and particulate transport and ventilation assessments. The software provides an integrated analysis environment that includes a graphical user interface (GUI) for constructing analysis models, a numerical solver that includes parallel processing capabilities and a post-processor for evaluating simulation results. It solves the conservation equations for mass, momentum and energy for multicomponent, multi-phase flow in lumped parameter and multi-dimensional geometries (1, 2, or full 3D), including the effects of turbulence, diffusion and buoyancy. It has been developed and maintained under a Quality Assurance program in compliance with the requirements of 10CFR50 Appendix B and applicable portions of ASME NQA-1 since 1995. GOTHIC has been used for assessing both forced and natural convection conditions for a wide range of applications, including: - Tracking concentration of hazardous gases and chemicals for habitability and safety assessments - Determining ventilation and filtration requirements and optimizing location and arrangement of these systems - Room heat-up, including diverse and Flexible coping strategies for Extended Loss of AC Power (FLEX/ELAP) - Equipment Qualification (EQ) A distinctive feature of GOTHIC is the ability to track many different fields/substances in a simulation, including user defined tracer elements, in the liquid, vapor and droplet fields as well as surfaces and filters. This capability allows GOTHIC to model fission product transport and release or the removal of particulates or harmful toxins from exhaust gases using a spray scrubber or other types of filtration systems. GOTHIC also includes models for engineered equipment, such as fans, filters, charcoal filters, dryers/demisters, dampers, etc. The aerosols and other filtered material are removed or accumulated in these components. The range of aerosol and radiological applications that GOTHIC has been used for includes: - Source Term: Primary Coolant (Equilibrium) Activity; Non-Water Coolant Source/Leakage. - Conditions for Iodine Re-evolution: Sump/Suppression Pool Conditions and pH; - RWST Conditions and pH. - Isotope Removal Mechanisms: Containment Sprayed and Unsprayed Region Mixing; Charcoal Filter Heating due to Iodine decay. - Radionuclide Transport and Decay: Post-LOCA Release in containment; Transport between connected Compartments and vent systems; Groundwater transport of radionuclides. - Non-Newtonian Fluid modeling for sludge, waste tanks, etc. ADAMS ML071581053 (titled 'Best Practice Guidelines for the use of CFD in Nuclear Reactor Safety Applications') poses guidelines for applying single phase CFD codes in nuclear reactor safety problems and GOTHIC is listed as a 'tool for 3D flows' and 'dispersal and deposition of radionuclides.' The Nuclear Quality Assurance (NQA) pedigree of GOTHIC is an important aspect for applications in the nuclear industry. The fundamental tracer models (convective transport, molecular and turbulent diffusion, removal mechanisms, etc.) have been verified using analytical solutions and validated against applicable separate effects tests. Also, GOTHIC has been benchmarked to many integrated effects tests, including Phebus FP (Fission Product). GOTHIC gives good agreement for the buildup and decay of fission products in Phebus Test 3. The model developed by ZNE demonstrates GOTHIC's applicability and acceptability for use in analyzing the migration and retention of radioactive isotopes and their progeny in normal operation and accident scenario analyses for isotope production facilities, hot cells, and gloveboxes. The tracer activities calculated by GOTHIC can then be used in downstream radiation transport and shielding codes like RADTRAD-NAI{sup C}, MCNP{sup R}, and MicroShield{sup R} to determine on-site and of-site doses. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

Model Development for Multi-Component Fuel Vaporization and Flash Boiling

The objectives of this project are to improve the multi-component fuel droplet and film vaporization models used in internal combustion engine simulation, and to develop a comprehensive model to predict the characteristics of multi-component flash boiling spray. This work explores two approaches to fuel composition treatment for modeling multi-component fuel vaporization: one based on discretization and surrogates, and the other based on continuous thermodynamic distribution of fuel properties. The experimental data collected for model validation are done under three fuel form factors: droplet, spray, and thin film. The study on sprays also include experimentation under non-flash and flash boiling conditions, a phenomenon that enhances fuel vaporization. The main goals of this work are: Design and develop a multi-component fuel droplet and wall film vaporization model using both discrete and continuous thermodynamics methods. Design and develop an analytical model for multi-component flash boiling. Integrate the multi-component droplet and film model into multi-dimensional engine calculations to predict the fuel vaporization process under engine operation condition. Conduct multi-component droplet and fuel film vaporization experiments in a non-combusting chamber to verify the proposed vaporization models. Characterize flash boiling phenomena of multi-component fuel sprays by optical and laser diagnostic techniques. This report will detail the experimental setup and the numerical basis for developing a model to achieve the main goals listed above. Key features of observed multi-component fuel vaporization will be summarized at the end of each experimental sections, and corresponding model performance evaluation will be presented at the end of each model development section.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2023

PRIMED for the Future: Purposing Raw Intake for Machine Learning-Enabled Detection (Final Report)

The COVID-19 pandemic demonstrated how a novel, elusive, and diffuse biological threat can engender uncertainty and misinformation, and it underscored the need for flexible analytical modalities agnostic to the identity of biological material. Yet even before the pandemic, recognition of the limitations of the current, list-based approach, which focuses on known pathogens and biotoxins, and of the importance of agent-agnostic biodetection was growing within the biosecurity community. In a 2018 report on “Biodefense in the Age of Synthetic Biology,” for example, the National Academy of Sciences stated that “an overreliance on the Select Agent List is a systematic weakness affecting many aspects of the United States’ current biodefense mitigation capability”. More recently, a group of biodefense researchers proposed the identification and adoption of “bioagent-agnostic signatures (BASs)” as a way of detecting and characterizing not only existing agents but also novel ones, an approach they believe will “enable a more flexible and resilient biodefense posture”. Indeed, the future of biodetection requires us to begin developing novel analytics that can identify anomalies and/or characteristics that indicate a potential threat, whether known or unknown, without looking for a specific signature that has been identified previously. To assess potential threats more rapidly, it is critical to develop agnostic artificial intelligence (AI)/machine learning (ML) systems that can be employed for real-time assessment of the nature and source of a perturbation. Such systems should be multi scale and multi-dimensional, integrating sensor data from a range of biological, chemical, and physical application spaces. Emerging deep learning (DL) models demonstrate exceptional promise for identification of discriminatory features within multi-dimensional datasets. DL models have the capacity to recognize and encode highly complex patterns in a wide range of input data modalities, including images, text, and biological/chemical/physical spectra. As such, they can execute a wide range of assessments and determinations that have traditionally required a human operator. The promise of advances in DL is apparent in the realm of human health and medicine. DL models have been validated for evaluating a variety of clinical threats to human health in a range of contexts, including infection and cancer, and they demonstrated improved performance in predicting stroke relative to human neurologists in some categories of data. Continuously evolving advances in AI/ML are expected to support more efficient evaluation of raw sequence, spectroscopy, and spectrometry data. For instance, recent advances and deployment of large language models (LLM) such as Generative Pre training Transformer (GPT) and Bidirectional Encoder Representations from Transformers (BERT) have already motivated application of these models for biological function prediction. As frameworks such as LLMs become larger and more complex in their representations, their capacity to serve as pre-trained models that can be fine-tuned for biological/biodetection purposes will similarly be amplified. While existing and emerging AI/ML have found broad applicability and use cases in the clinical sciences, development for environmental evaluation and biodetection has been limited. Functionalizing such capabilities for this purpose requires an understanding of the existing technical landscape and how the respective tools and algorithms are currently being employed. This landscape awareness then allows an assessment of the current practical capabilities of existing models and the anticipated requirements and development efforts that will be needed to adapt available algorithms for biodetection applications relevant to DHS. Leveraging expertise in biodetection, ML, and operational biodetection, the effort described in this report is comprised of a systematic landscape assessment (Subtask 2.1), comparative evaluation (Subtask 2.2), and formulation of a value proposition (Subtask 2.3) for the prospect of ML-enabled, agnostic biodetection from raw, or minimally-processed, datasets.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

LENS: Learning Enabled Network Synthesis

RTRC and UMD have developed novel machine learning based methods under the ARPA-E DIFFERENTIATE program for rapid acceleration of hypothesis generation in complex architecture design spaces involving both discrete choices of component inclusion and interconnection and continuous parametric decisions. The project named Learning Enabled Network Synthesis (LENS) further demonstrated the developed methods on challenging electrical power converter design problems by identifying the most suitable circuit topologies and simultaneously selecting the most appropriate components to achieve optimized design of power converter with improved performances. We demonstrated that LENS could enable exploration of very large design space of circuit topologies and components by addressing the limitations of conventional design process in non-linear, high switching speed, multi-dimensional power converter design and optimization. The key innovation developed in LENS is the seamless integration of statistical learning and logical reasoning techniques and building on the individual strengths of these techniques for rapid hypothesis discovery. The main component of LENS comprises of: 1) Graph Reasoning Engine (GRE) to enforce composition rules that rapidly reject all discrete architectures that are composed incorrectly and generates an adaptive database of feasible designs which can be used by ML modules, 2) Graph Generative Learning module which is a deep neural network based generative model for graph architectures which can enable design space exploration beyond the dataset generated by the GRE, 3) Graph Reduced Order Model (ROM) for graph domains for accelerating computation of output metrics, and 4) Active learning and Rule Discovery module for sample efficient learning and extracting logical rules from the learned ML models which will be integrated in the GRE to enhance the filtering effectiveness. LENS approach can be applied to any design domains where designs can be represented as multi-attribute graphs. The LENS team integrated the various technical innovations listed above into an optimization pipeline and exercised the optimization pipeline on the converter design problem. The LENS project demonstrated that the developed AI/ML technologies can be used to generate novel converter circuits >45x faster than experts on chosen use-cases. This can enable faster design space exploration and identification of new designs which are not considered by experts due to the increasing design space complexity. This has significant potential impact on the public and energy needs of the country. It is currently estimated that 30% of all electrical powers generated passes through power converters. The future estimate is that 80% of all power generated would be passing through converters. LENS fills a critical gap in this space since by accelerating the design process the designers would be able to generate more efficient converters which can lead to significant energy savings for the country.

42 ENGINEERING↗

DOE OSTI2016

TOUGH3 v1.0

TOUGH3 V1.0 capabilities to simulate multi-dimensional, multi-phase, multi-component, non-isothermal flow and transport in fractured porous media, with applications geosciences and reservoir engineering and other application areas. TOUGH3 V1.0 supports a number of different combinations of fluids and components (updated equation-of-state (EOS) modules from previous versions of TOUGH, including EOS1, EOS2, EOS3, EOS4, EOS5, EOS7, EOS7R, EOS7C, EOS7CA, EOS8, EOS9, EWASG, TMVOC, ECO2N, and ECO2M). This upgrade includes (a) expanded list of updated equation-of-state (EOS) modules, (b) new hysteresis models, (c) new implementation of parallel and solver functionalities, (d) new linear solver options based on PETSc libraries, (e) new automatic build system that automatically downloads and builds third-party libraries and TOUGH3, (f) new printout in CSV format, (g) dynamic memory allocation, (h) various user features, and (i) bug fixes.

PAU, GEORGE↗