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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 1,261 records · Page 70

Developing a Roadmap for Total Nuclear Plant Transformation

Commercial nuclear power plants (NPPs) provide emission free, always-on electricity that must be part of the energy mix if U.S. industry and business are to remain competitive while enjoying the benefits of a clean environment. Most U.S. NPPs in operation today were licensed using state-of-the-art analog technology of the 1970’s. While these systems are well proven and designed with multiple redundant channels, they required extensive manual surveillance and testing procedures to demonstrate their continued functioning. All of this adds up to increasing labor costs as the only means to increase plant availability. The United States (U.S.) Department of Energy (DOE) Light Water Reactor Sustainability (LWRS) Program is performing a study to determine how an NPP can fully modernize, improve safety, and improve efficiency enough to make nuclear power competitive with current and future market conditions. The study is a process improvement analysis whereby current operational processes are evaluated to identify where efficiencies and cost-savings can be realized. This report will describe a process that will provide each utility with the tools to evaluate their present state, set goals for where they want to be regarding Operation and Maintenance (O&M) costs, while offering transformative pathways to achieve these improvements. The transformative changes will be divided into 1) work process improvements, 2) technology solutions, and 3) regulatory reform. By applying these pathways in combination, NPPs can achieve the dramatic O&M savings needed to sustain safe and economic operation into the future.

99 GENERAL AND MISCELLANEOUS↗

Advanced Laboratory and Field Arrays: Novel Design and Assessment Methodologies for Wave Energy Converter Design (Wave-SPARC) (Task 8)

This task focused on advancing the mission of the Wave-SPARC project by (1) establishing a user-centered Set-Based Design methodology to enable industrial partners to design higher performance WECs, (2) assessing the means through which WEC concepts and WEC design processes are evaluated by employing and potentially improving Wave-SPARC’s Technological Performance Level (TPL) metric, and (3) clarifying how the Set-Based Design approach to WEC design would be applicable for devices of different scales and/or maritime markets.

13 HYDRO ENERGY↗

Managing work flow and logistic at waste processing facilities using the waste compliance and tracking system - 15392

Work flow and logistics at a busy radioactive waste processing complex or permitted treatment, storage, and disposal facility (TSDF) can pose a monumental challenge. An efficient operation requires good communication between engineering, logistics, and waste operators. The Los Alamos National Laboratory (LANL) has implemented an application that facilitates seamless communication of work flow requirements, between engineering, logistics, and waste operations personnel in the field. The Waste Compliance and Tracking System (WCATS), a comprehensive waste management system designed at LANL, provides four key elements to support logistics: (a) the container work path, (b) directed unit operation requests, (c) notification of pending operations, and (d) real-time status tools for office and field workers. The combination of these elements allows everyone to function as a team, with a shared knowledge of what is needed to accomplish facility objectives. The first element is like a road map indicating which unit operations are needed and in what sequence they should be performed; this is referred to as a 'work path'. It automatically routes a waste item or container from operation to operation. For example, a given work path might indicate that waste items require radiological survey, radioassay, and a technical review, in that order. When the work path is assigned to a container, the system enforces the correct order of operations. Directed unit operation 'requests', the second element, fills a gap between pre-planned, formal 'work path' activities and the need for flexibility to direct preparatory operations or deal with unexpected issues, like staging or mining containers in preparation for a shipment or transferring containers from one storage unit to another to clear a path for building maintenance. Logistics engineers prepare these 'requests', and the system monitors the status and completion of the work. The third element, notifications, allows team members to subscribe to and receive notice that an operation is pending, initiated, or complete. This functionality supports a range of communication options, including e-mail, cell phone, pager, or application in-box messaging. Notifications allow waste operations personnel to multi-task, and remain in the loop on the status of facility-wide activities. Finally, the fourth element provides tools that communicate work path pending operations and directed requests to field workers on their mobile computer, allowing them to mine or pick containers from storage units, and leverage the capabilities of a bar-code scanner to avoid selection mistakes. Oversight and summary tools are provided, allowing logistics personnel to monitor work path and request task status, identify work-flow bottlenecks, and maximize the efficiency of waste operations. The Waste Compliance and Tracking System (WCATS) provides an innovative, comprehensive set of tools that allow large-scale radioactive waste processing facilities to manage logistics, maximize efficient use of the workforce, and create a team environment, where everyone from management to the waste handlers have an understanding of the work load and what needs to be accomplished. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Vibrational processing of a dynamic structural flight system: A multichannel spectral estimation approach

Dynamic testing of large flight vehicles (rockets) is not only complex, but also can be very costly. These flights are infrequent and can lead to disastrous effects if something were to fail during the flight. The development of sensors coupled to internal components offers a great challenge in reducing their size, yet still maintaining their precision. Sounding rockets provide both a viable and convenient alternative to the more costly vehicular flights. Some of the major objectives are to test various types of sensors for monitoring components of high interest as well as investigating real-time processing techniques. Signal processing presents an extreme challenge in this noisy multichannel environment. The estimation and tracking of modal frequencies from vibrating structures is an important set of features that can provide information about the components under test; therefore, high resolution multichannel spectral processing is required. Finally, the application of both single channel and multichannel techniques capable of producing reliable modal frequency estimates of a vibrating structure from uncertain accelerometer measurements is discussed.

42 ENGINEERING↗

Improving Performance of M-to-N Processing and Data Redistribution in In Transit Analysis and Visualization

In an in transit setting, a parallel data producer, such as a numerical simulation, runs on one set of ranks M, while a data consumer, such as a parallel visualization application, runs on a different set of ranks N. One of the central challenges in this in transit setting is to determine the mapping of data from the set of M producer ranks to the set of N consumer ranks. This is a challenging problem for several reasons, such as the producer and consumer codes potentially having different scaling characteristics and different data models. The resulting mapping from M to N ranks can have a significant impact on aggregate application performance. In this work, we present an approach for performing this M-to-N mapping in a way that has broad applicability across a diversity of data producer and consumer applications. We evaluate its design and performance with a study that runs at high concurrency on a modern HPC platform. By leveraging design characteristics, which facilitate an “intelligent” mapping from M-to-N, we observe significant performance gains are possible in terms of several different metrics, including time-to-solution and amount of data moved.

Loring, Burlen↗

Improving Performance of M-to-N Processing and Data Redistribution in In Transit Analysis and Visualization

In an in transit setting, a parallel data producer, such as a numerical simulation, runs on one set of ranks M, while a data consumer, such as a parallel visualization application, runs on a different set of ranks N: One of the central challenges in this in transit setting is to determine the mapping of data from the set of M producer ranks to the set of N consumer ranks. This is a challenging problem for several reasons, such as the producer and consumer codes potentially having different scaling characteristics and different data models. The resulting mapping from M to N ranks can have a significant impact on aggregate application performance. In this work, we present an approach for performing this M-to-N mapping in a way that has broad applicability across a diversity of data producer and consumer applications. We evaluate its design and performance with a study that runs at high concurrency on a modern HPC platform. By leveraging design characteristics, which facilitate an ''intelligent'' mapping from M-to-N, we observe significant performance gains are possible in terms of several different metrics, including time-to-solution and amount of data moved.

Loring, Burlen↗

Eukaryotic genomes from a global metagenomic data set illuminate trophic modes and biogeography of ocean plankton

ABSTRACT Metagenomics is a powerful method for interpreting the ecological roles and physiological capabilities of mixed microbial communities. Yet, many tools for processing metagenomic data are neither designed to consider eukaryotes nor are they built for an increasing amount of sequence data. EukHeist is an automated pipeline to retrieve eukaryotic and prokaryotic metagenome-assembled genomes (MAGs) from large-scale metagenomic sequence data sets. We developed the EukHeist workflow to specifically process large amounts of both metagenomic and/or metatranscriptomic sequence data in an automated and reproducible fashion. Here, we applied EukHeist to the large-size fraction data (0.8–2,000 µm) from Tara Oceans to recover both eukaryotic and prokaryotic MAGs, which we refer to as TOPAZ (Tara Oceans Particle-Associated MAGs). The TOPAZ MAGs consisted of >900 environmentally relevant eukaryotic MAGs and >4,000 bacterial and archaeal MAGs. The bacterial and archaeal TOPAZ MAGs expand upon the phylogenetic diversity of likely particle- and host-associated taxa. We use these MAGs to demonstrate an approach to infer the putative trophic mode of the recovered eukaryotic MAGs. We also identify ecological cohorts of co-occurring MAGs, which are driven by specific environmental factors and putative host-microbe associations. These data together add to a number of growing resources of environmentally relevant eukaryotic genomic information. Complementary and expanded databases of MAGs, such as those provided through scalable pipelines like EukHeist, stand to advance our understanding of eukaryotic diversity through increased coverage of genomic representatives across the tree of life. IMPORTANCE Single-celled eukaryotes play ecologically significant roles in the marine environment, yet fundamental questions about their biodiversity, ecological function, and interactions remain. Environmental sequencing enables researchers to document naturally occurring protistan communities, without culturing bias, yet metagenomic and metatranscriptomic sequencing approaches cannot separate individual species from communities. To more completely capture the genomic content of mixed protistan populations, we can create bins of sequences that represent the same organism (metagenome-assembled genomes [MAGs]). We developed the EukHeist pipeline, which automates the binning of population-level eukaryotic and prokaryotic genomes from metagenomic reads. We show exciting insight into what protistan communities are present and their trophic roles in the ocean. Scalable computational tools, like EukHeist, may accelerate the identification of meaningful genetic signatures from large data sets and complement researchers’ efforts to leverage MAG databases for addressing ecological questions, resolving evolutionary relationships, and discovering potentially novel biodiversity.

59 BASIC BIOLOGICAL SCIENCES↗

Laboratory Investigations of Aerosol-Cloud Interactions in an Entraining, Turbulent Environment (Final Technical Report)

The effects that aerosol particles have on clouds in Earth’s atmosphere and the role that clouds play in determining the fate of aerosol particles play a crucial role in determining the human experience on this planet. These interwoven interactions can determine whether it rains or snows, is comfortable, hot or cold, or whether the cloud you gaze at in the sky looks like a tiger or a lump of porridge. How clouds mix with the air surrounding them, a process known as entrainment, further affects these processes. We conducted laboratory experiments of aerosol-cloud interactions in a setting in which we can measure the effects of entrainment – the first laboratory experiments since the pioneering work of Latham and Reed in 1977. We measured the effects of entrainment on aerosol-cloud interactions in the Pi Chamber and also used a state-of-the-art large eddy simulation (LES) to investigate processes in fine detail.

54 ENVIRONMENTAL SCIENCES↗

Resource-Efficient Chemistry on Quantum Computers with the Variational Quantum Eigensolver and The Double Unitary Coupled-Cluster approach

Applications of quantum simulation algorithms to obtain electronic energies of molecules on noisy intermediate-scale quantum (NISQ) devices require careful consideration of resources describing the complex electron correlation effects. In modeling second-quantized problems, the biggest challenge confronted is that the number of qubits scales linearly with the size of molecular basis. This poses a significant limitation on the size of the basis sets and the number of correlated electrons included in quantum simulations of chemical processes. To address this issue and to enable more realistic simulations on NISQ computers, we employ the double unitary coupled-cluster (DUCC) method to effectively downfold correlation effects into the reduced-size orbital space, commonly referred to as the active space. Using downfolding techniques, we demonstrate that properly constructed effective Hamiltonians can capture the effect of the whole orbital space in small-size active spaces. Combining the downfolding pre-processing technique with the Variational Quantum Eigensolver, we solve for the ground-state energy of H2 and Li2 in the cc-pVTZ basis using the DUCC-reduced active spaces. We compare these results to full configuration-interaction and high-level coupled-cluster reference calculations.

quantum computing, variational quantum solver, cou↗

Studies on Workability of Geopolymer Solidification - 18171

In Japan, intermediate-level radioactive waste, such as spent resin, is solidified and set in sealed containers without venting. To reduce the amount of hydrogen generated due to water radiolysis in stored intermediate-level waste, geopolymer solidification has been studied. Geopolymer solidification is an excellent method for conditioning intermediate-level waste from the viewpoint of its high thermal stability and low processing cost. However, it has a problem that the apparent viscosity increases drastically a few minutes after the onset of setting. This may cause some trouble in the process of pouring the geopolymer into drums and mixing it with waste. In this study, in order to control the workability of a geopolymer mixture, we investigated the effects of the compounding ratio and the kinds of chemical agents used. We confirmed that the geopolymer reaction was slowed down by reducing the amount of calcium and adding boron. The uniaxial compressive strength of the geopolymer was 3-80 MPa. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

WPTO Comprehensive References [Poster]

Protecting hydroelectric plants from incidents that adversely impact their cyber-physical systems presents unique challenges due to the plants’ widely dispersed geographic locations and varied configurations as well as the relative nascent nature of the cyberattacks targeting these facilities. To help hydroelectric plants better respond to and mitigate cybersecurity incidents, this Department of Energy Water Power Technologies Office Cyber Comprehensive Reference list is to be used at a hydroelectric plant to quickly go to appropriate sources during the response and recovery of a cyber incident. In addition to this product, there are three other products meant to be distributed to a hydroelectric plant to assist in their cyber incident response and recovery. The first, a report on the processes of building a R&R flip book based on a large set of existing guidance. The second, a handy flip book meant to be distributed to hydroelectric plants to assist them during a cybersecurity incident occurring on a hydroelectic plant. And the third is a correlated alignment of the steps an hydroelectric plant operator would take for both a cyber incident as well as an emergency response process if the event rises to a cyber incident affecting the safe and reliable operations of a hydroelectric plant.

13 HYDRO ENERGY↗

SplitML

SplitML (Signal Processing Library for Interference rejecTion by Machine Learning) is a code repository for a set of tools for interference rejection in complex time-domain signals. The goal of the tools is to provide machine learning modeling capabilities for rejecting interference. Recent related machine learning algorithms for signal processing have focused mostly on speech enhancement or multi-speaker speech separation; the tools in SplitML will extend these innovations to generic time-domain signals of interest. SplitML includes tools for generating synthetic noisy signals, code for customized machine learning models applicable to interference rejection, and tools for evaluating such algorithms against standard signal processing techniques. These components are written in Python, a high-level programming language that takes advantage of the Python ecosystem of high-quality open-source packages for machine learning and signal processing.

Klein, Natalie↗

An atomic orbital-based formulation of the complete active space self-consistent field method on graphical processing units

Despite its importance, state-of-the-art algorithms for performing complete active space self-consistent field (CASSCF) computations have lagged far behind those for single reference methods. We develop an algorithm for the CASSCF orbital optimization that uses sparsity in the atomic orbital (AO) basis set to increase the applicability of CASSCF. Our implementation of this algorithm uses graphical processing units (GPUs) and has allowed us to perform CASSCF computations on molecular systems containing more than one thousand atoms. Additionally, we have implemented analytic gradients of the CASSCF energy; the gradients also benefit from GPU acceleration as well as sparsity in the AO basis.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Framework for the Evolution of Heuristics in Advanced Manufacturing

Here, in this study, we work toward addressing a knowledge gap in understanding how heuristics are developed, retrieved, employed, and modified by designers. Having a better awareness of one’s own set of heuristics can be beneficial for relaying to other team members, improving a team’s training processes, and aiding others on their path to design expertise. The ability to understand and justify the use of a heuristic should lead to more effective decision-making in systems design. To do this, the heuristics and their characteristics must be extracted using a repeatable scientific research methodology. This study describes a unique extraction and characterization process compared to prior literature. It includes some of the first work towards documenting heuristics for both designers and operators in a hybrid manufacturing setting. Eight participants performed a series of two design journals, two interviews, and one survey. Heuristics were extracted and refined between each method and then verified by participants in the survey. The surveys produced novel statistically significant findings in regard to heuristic characterizations, impacting how participants view how often a heuristic is used, the reliability of the heuristic, and the evolution of the heuristic. Lastly, an alternate perspective of heuristics as an error management bias is highlighted and discussed.

42 ENGINEERING↗

Development and Use of an Ultra-High Resolution Electron Scattering Apparatus

In this LDRD project, we developed a versatile capability for high-resolution measurements of electron scattering processes in gas-phase molecules, such as ionization, dissociation, and electron attachment/detachment. This apparatus is designed to advance fundamental understanding of these processes and to inform predictions of plasmas associated with applications such as plasma-assisted combustion, neutron generation, re-entry vehicles, and arcing that are critical to national security. We use innovative coupling of electron-generation and electron-imaging techniques that leverages Sandia’s expertise in ion/electron imaging methods. Velocity map imaging provides a measure of the kinetic energies of electrons or ion products from electron scattering in an atomic or molecular beam. We designed, constructed, and tested the apparatus. Tests include dissociative electron attachment to O2 and SO2, as well as a new method for studying laser-initiated plasmas. This capability sets the stage for new studies in dynamics of electron scattering processes, including scattering from excited-state atoms and molecules.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Situating Green Infrastructure in Context: A Framework for Adaptive Socio‐Hydrology in Cities

Abstract Management of urban hydrologic processes using green infrastructure (GI) has largely focused on storm water management. Thus, design and implementation of GI usually rely on physical site characteristics and local rainfall patterns, and do not typically account for human or social dimensions. This traditional approach leads to highly centralized storm water management in a disconnected urban landscape and can deemphasize additional benefits that GI offers, such as increased property value, greenspace aesthetics, heat island amelioration, carbon sequestration, and habitat for biodiversity. We propose the Framework for Adaptive Socio‐Hydrology (FrASH) in which GI planning and implementation moves from a purely hydrology‐driven perspective to an integrated sociohydrological approach. This allows for an iterative, multifaceted decision‐making process that would enable a network of stakeholders to collaboratively set a dynamic, context‐guided project plan for the installation of GI, rather than a “one‐size‐fits‐all” installation. We explain how different sectors (e.g., governance, nongovernmental organizations, communities, academia, and industry) can create a connected network of organizations that work toward a common goal. Through a graphical Chambered Nautilus model, FrASH is experimentally applied to contrasting GI case studies and shows that this multistakeholder, connected, decentralized network with a coevolving decision‐making project plan results in enhanced multifunctionality, potentially allowing for the management of resilience in urban systems at multiple scales.

Schifman, L. A.↗

Ultrafast Spin-to-Charge Conversion at the Surface of Topological Insulator Thin Films

Strong spin–orbit coupling, resulting in the formation of spin–momentum–locked surface states, endows topological insulators with superior spin–to–charge conversion characteristics, though the dynamics that govern it have remained elusive. Here, an all–optical method is presented, which enables unprecedented tracking of the ultrafast dynamics of spin–to–charge conversion in a prototypical topological insulator Bi 2 Se 3 /ferromagnetic Co heterostructure, down to the sub–picosecond timescale. Compared to pure Bi 2 Se 3 or Co, a giant terahertz emission is observed in the heterostructure that originates from spin–to–charge conversion, in which the topological surface states play a crucial role. A 0.12 ps timescale is identified that sets a technological speed limit of spin–to–charge conversion processes in topological insulators. Additionally, it is shown that the spin–to–charge conversion efficiency is temperature independent in Bi 2 Se 3 as expected from the nature of the surface states, paving the way for designing next–generation high–speed optospintronic devices based on topological insulators at room temperature.

36 MATERIALS SCIENCE↗

Identifying hydrologic signatures associated with streamflow depletion caused by groundwater pumping

Abstract Groundwater pumping can reduce streamflow in nearby waterways (‘streamflow depletion’), a process which must be accounted for in integrated management of surface and groundwater resources. However, causal identification of streamflow depletion from hydrographs alone is challenging because pumping impacts are masked by other drivers of hydrologic variability. To identify potential indicators of streamflow depletion, we used synthetic hydrographs and an analytical streamflow depletion model to assess potential pumping impacts on specific hydrograph characteristics (‘hydrologic signatures’) for 215 streamgages spanning the conterminous United States (CONUS). We found that streamflow depletion commonly impacts signatures associated with seasonal and annual low flows and low flow recessions. The largest impacts occurred during dry years, suggesting streamflow depletion may be evident in dry years even where impacts are unmeasurable in wet years. Random forest models indicated that streamflow depletion could significantly impact Annual, Summer, and Fall signatures in most streams. Our finding that multiple hydrologic signatures are consistently responsive to streamflow depletion across CONUS suggests that the underlying hydrological processes linking pumping to streamflow reductions are consistent across diverse settings, information that will aid in identifying indicators of streamflow depletion from streamflow hydrographs.

Lapides, Dana A.↗