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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 289 records · Page 16

Controlling for Survey Effort Is Worth the Effort: Comparing Bottlenose Dolphin ( Tursiops truncatus ) Habitat Use Between Standardized and Opportunistic Photographic-Identification Surveys

Although opportunistic data collected from wildlife ecotours can provide useful information on marine mammal distribution and behavior, concerns exist about whether resultant analyses have diminished accuracy due to spatial bias. To address these concerns, this study compared common bottlenose dolphin ( Tursiops truncatus ) habitat use results derived from standardized boat-based photographic-identification surveys and opportunistic photographic-identification surveys conducted during wildlife ecotours in Roanoke Sound, North Carolina. The main objectives of this study were to (1) identify areas of importance to dolphins, (2) identify activities (feed, mill, social, and travel) most often observed in these areas, and (3) determine the consistency of habitat use results between standardized and opportunistic surveys. Standardized survey hot spots for feeding and travel were located in southern Roanoke Sound according to the hot spot (Getis-Ord Gi*) spatial statistic. Conversely, opportunistic survey hot spots for feeding and travel were detected in central Roanoke Sound near the wildlife ecotour launch site. Opportunistic survey effort was concentrated around the ecotour launch site which introduced spatial bias by overestimating dolphin density in this area. These hot spot location differences between survey methods indicate that opportunistic survey results are affected by spatial bias which can lead to inaccurate conclusions about dolphin habitat use. Hot spot results of standardized data without survey effort supported the conclusion that spatial bias affected opportunistic habitat use results. Furthermore this study provides a direct comparison of standardized and opportunistic datasets and demonstrates the importance of controlling for survey effort when examining marine mammal distribution and habitat use.

59 BASIC BIOLOGICAL SCIENCES↗

Cabana: A Performance Portable Library for Particle-Based Simulations

Particle-based simulations are ubiquitous throughout many fields of computational science and engineering, spanning the atomistic level with molecular dynamics (MD), to mesoscale particle-in-cell (PIC) simulations for solid mechanics, device-scale modeling with PIC methods for plasma physics, and massive N-body cosmology simulations of galaxy structures, with many other methods in between (Hockney & Eastwood, 1989). While these methods use particles to represent significantly different entities with completely different physical models, many low-level details are shared including performant algorithms for short- and/or long-range particle interactions, multi-node particle communication patterns, and other data management tasks such as particle sorting and neighbor list construction. Cabana is a performance portable library for particle-based simulations, developed as part of the Co-Design Center for Particle Applications (CoPA) within the Exascale Computing Project (ECP) (Alexander et al., 2020). The CoPA project and its full development scope, including ECP partner applications, algorithm development, and similar software libraries for quantum MD, is described in (Mniszewski et al., 2021). Cabana uses the Kokkos library for on-node parallelism (Edwards et al., 2014; Trott et al., 2022), enabling simulation on multi-core CPU and GPU architectures, and MPI for GPU-aware, multi-node communication. Cabana provides particle simulation capabilities on almost all current Kokkos backends, including serial execution, OpenMP (including OpenMP-Target for GPUs), CUDA (NVIDIA GPUs), HIP (AMD GPUs), and SYCL (Intel GPUs), providing a clear path for the coming generation of accelerator-based exascale hardware. Cabana builds on Kokkos by providing new particle data structures and particle algorithms resulting in a similar execution policy-based, node-level programming model that is intended to be used in addition to the core Kokkos library within an application. Cabana is designed as an application and physics agnostic, but particle-specific toolkit which can either be used to generate a new application, or to be used as needed in existing applications at various levels of invasiveness including through interfaces that wrap user memory in existing data structures.

97 MATHEMATICS AND COMPUTING↗

Experimental Design for Evaluating Selected Nondestructive Measurement Technologies - Advanced Reactor Technology Milestone: M3AT-16PN2301043

The harsh environments in advanced reactors (AdvRx) increase the possibility of degradation of safety-critical passive components, and therefore pose a particular challenge for deployment and extended operation of these concepts. Nondestructive evaluation technologies are an essential element for obtaining information on passive component condition in AdvRx, with the development of sensor technologies for nondestructively inspecting AdvRx passive components identified as a key need. Given the challenges posed by AdvRx environments and the potential needs for reducing the burden posed by periodic in-service inspection of hard-to-access and hard-to-replace components, a viable solution may be provided by online condition monitoring of components. This report identifies the key challenges that will need to be overcome for sensor development in this context, and documents an experimental plan for sensor development, test, and evaluation. The focus of initial research and development is on sodium fast reactors, with the eventual goal of the research being developing the necessary sensor technology, quantifying sensor survivability and long-term measurement reliability for nondestructively inspecting critical components. Materials for sensor development that are likely to withstand the harsh environments are described, along with a status on the fabrication of reference specimens, and the planned approach for design and evaluation of the sensor and measurement technology.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

"Type Ia Supernovae: Tools for Studying Dark Energy" Final Technical Report

Final technical report for project "Type Ia Supernovae: Tools for the Study of Dark Energy" awarded jointly to scientists at the University of California, Santa Cruz and Berkeley, for computer modeling, theory and data analysis relevant to the use of Type Ia supernovae as standard candles for cosmology.

79 ASTRONOMY AND ASTROPHYSICS↗

Synthesis Study on Transitions in Signal Infrastructure and Control Algorithms for Connected and Automated Transportation

Documenting existing state of practice is an initial step in developing future control infrastructure to be co-deployed for heterogeneous mix of connected and automated vehicles with human drivers while leveraging benefits to safety, congestion, and energy. With advances in information technology and extensive deployment of connected and automated vehicle technology anticipated over the coming decades, cities globally are making efforts to plan and prepare for these transitions. CAVs not only offer opportunities to improve transportation systems through enhanced safety and efficient operations of vehicles. There are also significant needs in terms of exploring how best to leverage vehicle-to-vehicle (V2V) technology, vehicle-to-infrastructure (V2I) technology and vehicle-to-everything (V2X) technology. Both Connected Vehicle (CV) and Connected and Automated Vehicle (CAV) paradigms feature bi-directional connectivity and share similar applications in terms of signal control algorithm and infrastructure implementation. The discussion in our synthesis study assumes the CAV/CV context where connectivity exists with or without automated vehicles. Our synthesis study explores the current state of signal control algorithms and infrastructure, reports the completed and newly proposed CV/CAV deployment studies regarding signal control schemes, reviews the deployment costs for CAV/AV signal infrastructure, and concludes with a discussion on the opportunities such as detector free signal control schemes and dynamic performance management for intersections, and challenges such as dependency on market adaptation and the need to build a fault-tolerant signal system deployment in a CAV/CV environment. The study will serve as an initial critical assessment of existing signal control infrastructure (devices, control instruments, and firmware) and control schemes (actuated, adaptive, and coordinated-green wave). Also, the report will help to identify the future needs for the signal infrastructure to act as the nervous system for urban transportation networks, providing not only signaling, but also observability, surveillance, and measurement capacity. The discussion of the opportunities space includes network optimization and control theory perspectives, and the current states of observability for key system parameters (what can be detected, how frequently can it be reported) as well as controllability of dynamic parameters (this includes adjusting not only the signal phase and timing, but also the ability to alter vehicle trajectories through information or direct control). The perspective of observability and controllability of the dynamic systems provides an appropriate lens to discuss future directions as CAV/CV become more prevalent in the future.

33 ADVANCED PROPULSION SYSTEMS↗

LAMMPS Project Report for the Trinity KNL Open Science Period.

LAMMPS is a classical molecular dynamics code (lammps.sandia.gov) used to model materials science problems at Sandia National Laboratories and around the world. LAMMPS was one of three Sandia codes selected to participate in the Trinity KNL (TR2) Open Science period. During this period, three different problems of interest were investigated using LAMMPS. The first was benchmarking KNL performance using different force field models. The second was simulating void collapse in shocked HNS energetic material using an all-atom model. The third was simulating shock propagation through poly-crystalline RDX energetic material using a coarse-grain model, the results of which were used in an ACM Gordon Bell Prize submission. This report describes the results of these simulations, lessons learned, and some hardware issues found on Trinity KNL as part of this work.

36 MATERIALS SCIENCE↗

Full Trinity Run with SPARTA

A heterogeneous run on the full Trinity supercomputer at LANL was performed using SPARTA during March 9-12, 2018. Over 19,000 nodes (9200+ Haswell and 9900+ KNL) and 1.2 million MPI processes were used. The run was successful, with SPARTA running for several hours with good performance (better than the same simulation running on full Sequoia). However, several challenges were encountered, and some unresolved issues remain.

97 MATHEMATICS AND COMPUTING↗

ASC ATDM Level 2 Milestone #6015: Asynchronous Many-Task Software Stack Demonstration

This report is an outcome of the ASC ATDM Level 2 Milestone 6015: Asynchronous Many-Task Software Stack Demonstration. It comprises a summary and in depth analysis of DARMA and a DARMA-compliant Asynchronous Many-Task (AMT) runtime software stack. Herein performance and productivity of the over- all approach are assessed on benchmarks and proxy applications representative of the Sandia ATDM applications. As part of the effort to assess the perceived strengths and weaknesses of AMT models compared to more traditional methods, experiments were performed on ATS-1 (Advanced Technology Systems) test bed machines and Trinity. In addition to productivity and performance assessments, this report includes findings on the generality of DARMAs backend API as well as findings on interoperability with node- level and network-level system libraries. Together, this information provides a clear understanding of the strengths and limitations of the DARMA approach in the context of Sandias ATDM codes, to guide our future research and development in this area.

97 MATHEMATICS AND COMPUTING↗

5G Enabled Energy Innovation: Advanced Wireless Networks for Science (Workshop Report)

Rapidly expanding, new telecommunications infrastructure based on 5G technologies will disrupt and transform how we design, build, operate, and optimize scientific infrastructure and the experiments and services enabled by that infrastructure, from continental-scale sensor networks to centralized scientific user facilities, from intelligent Internet of Things devices to supercomputers. Concurrently, 5G will introduce, or exacerbate, challenges related to protecting infrastructure and associated scientific data as well as to fully leveraging opportunities related to expanded infrastructure scale and complexity. The U.S. Department of Energy (DOE) Office of Science operates scientific infrastructure, supporting some of the nation’s most advanced intellectual discoveries, spanning the country and including 30 world-class user facilities from supercomputers to accelerators. Along with field experiments and remote observatories, every aspect of DOE’s scientific enterprise will be affected by 5G, which amounts to a complete renovation of the underpinnings of the nation’s information infrastructure. In this report we explore the scientific opportunities and new research challenges associated with 5G, ranging from scalability to heterogeneity to cybersecurity. The rapid commercial deployment of 5G opens the opportunity to rethink and reinvent DOE’s scientific infrastructure and experimentation, from intelligent sensor networks at unprecedented scales to a digital continuum of cyberinfrastructure spanning low-power sensors, high-performance computing embedded within and at the edge of the network, and DOE’s large-scale user instrument and computing facilities. New programming paradigms, workflow and data frameworks, and AI-based system design, operation, and autonomous adaptation and optimization will be necessary in order to exploit these new opportunities. Field deployments and centralized scientific instruments can also be revolutionized, moving (without traditional performance penalties) from wired to wireless connectivity for data and control systems, improving flexibility, and opening new sensing modalities, including the use of the 5G electromagnetic spectrum itself as an environmental probe. For DOE science, in contrast to commercial 5G applications and settings, devices will be deployed in extreme environments such as cryogenically cooled instrument control systems and in remote settings with harsh conditions, requiring the design of new materials for RF communication and edge processing to operate in these regimes. Concurrently, 5G infrastructure comprises both hardware and sophisticated software systems - currently closed and proprietary. The cybersecurity challenges to 5G-empowered reinvention mirror the complexity and variety of new 5G features, from virtualization to private network slices to ubiquitous access. Research is also needed in order to accelerate the development of secure and open 5G software infrastructure, reducing reliance on hardware and software produced outside the United States and providing the transparency and rigorous evaluation and testing afforded through open software. Twelve broad research thrusts are laid out in four chapters, with a companion fifth chapter (and three additional research thrusts) underscoring the needs and opportunities for an aggressive testbed program co-designed by networking experts and scientists involved in the 15 research thrusts. The urgency of undertaking this research is fueled by a global, accelerating deployment of new telecommunications infrastructure that is designed for entertainment and commercial applications - barely scratching the surface of what 5G can do to extend U.S. leadership in scientific discovery.

42 ENGINEERING↗

Evaluation of Nondestructive Examination Responses from Chloride-Induced Stress Corrosion Cracks: Fabrication of Base Metal Test Specimens

This report documents efforts to create actual chloride-induced stress corrosion cracks (CISCCs) in stainless-steel specimens for evaluating application of nondestructive examination (NDE) technologies for detection and sizing of CISCC in stainless-steel canisters in dry storage systems (DSSs) for spent nuclear fuel. In the United States, several DSSs for commercial spent nuclear fuel are approaching the end of their initial licensed or certified term. Many of these systems were originally licensed or certified for 20 years, after which the licensing or certification may be renewed for periods up to 40 years, according to Title 10 of the Code of Federal Regulations (10 CFR), Part 72, “Licensing Requirements for the Independent Storage of Spent Nuclear Fuel, High-Level Radioactive Waste, and Reactor-Related Greater than Class C Waste.” Guidance for review of renewal applications is provided in NUREG-1927, Standard Review Plan for Renewal of Spent Fuel Dry Cask Storage System Licenses and Certificates of Compliance. A review of aging effects that could affect important-to-safety structures, systems, and components is required in renewal applications and applicants are required to address aging effects using either a time-limited aging analysis or an aging management program. The U.S. Nuclear Regulatory Commission (NRC) issued NUREG-2214, Managing Aging Processes In Storage (MAPS) Report, which provides guidance on the evaluation of known aging degradation mechanisms to determine if they could affect the ability of dry storage system components to fulfill their safety functions in the 20- to 60-year period of extended operation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Towards Use of Mixed Precision in ECP Math Libraries [Exascale Computing Project]

The use of multiple types of precision in mathematical software has the potential to increase its performance on new heterogeneous architectures. The xSDK project focuses both on the investigation and development of multiprecision algorithms as well as their inclusion into xSDK member libraries. This report summarizes current efforts on including and/or using mixed precision capabilities in the math libraries Ginkgo, heFFTe, hypre, MAGMA, PETSc/TAO, SLATE, SuperLU, and Trilinos, including KokkosKernels. It contains both numerical results from libraries that already provide mixed precision capabilities, as well as descriptions of the strategies to incorporate multiprecision into established libraries.

97 MATHEMATICS AND COMPUTING↗

FY20 LLNL Experimental Programs at Omega

In Fiscal Year 2020 (FY20), Lawrence Livermore National Laboratory’s (LLNL’s) High-Energy-Density Physics (HED) and Indirect Drive Inertial Confinement Fusion (ICF-ID) programs conducted numerous campaigns on the OMEGA and OMEGA-EP (EP) laser systems. This was the 22ndyear of National Lab collaborative experiments at OMEGA since the Nova Laser at LLNL shut down in 1999, building upon prior collaborations. In FY20overall,these LLNL programs led 375target shots, with 166shots using just the OMEGA laser system and209 shots using just the EP laser system. Approximately 34% of the total number of shots (35OMEGA shots and 93EP shots) supported the Indirect Drive Inertial Confinement Fusion Campaign. The remaining 66% (131OMEGA-only shots and 116EP-only shots) were dedicated to experiments for High-Energy-Density Physics.Highlights of the various HED and ICF-ID campaigns are summarized in the following reports.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Towards Use of Mixed Precision in ECP Math Libraries

The use of multiple types of precision in mathematical software has the potential to increase its performance on new heterogeneous architectures. The xSDK project focuses both on the investigation and development of multiprecision algorithms as well as their inclusion into xSDK member libraries. This report summarizes current efforts on including and/or using mixed precision capabilities in the math libraries Ginkgo, heFFTe, hypre, MAGMA, PETSc/TAO, SLATE, SuperLU, and Trilinos, including KokkosKernels. It contains both numerical results from libraries that already provide mixed precision capabilities, as well as descriptions of the strategies to incorporate multiprecision into established libraries.

97 MATHEMATICS AND COMPUTING↗

Revolutionizing observations and predictability of Arctic system dynamics through next-generation dense, heterogeneous and intelligent wireless sensor networks with embedded AI

The Arctic region is a complex and dynamic system, where changes in temperature and partitioning between water in solid, liquid and vapor phase are fundamentally reshaping hydro-biogeochemical fluxes from the bedrock to the atmosphere. The increasing temperature and frequency of extreme heat, precipitation and fire events (Wang et al., 2017; Meredith et al., 2019) have critical consequences for the Arctic ecosystems and people, as well as for the global climate system. Although many observational and remote sensing activities have been on-going, detailed ecosystem processes – particularly related to controls on and impacts of permafrost thaw – are difficult to detect or measure. To improve the understanding and prediction of these extreme events and their consequences, we need a revolution in the way we collect ground-based observations from hillslope to pan-Arctic scales and couple them with satellite imagery and models to deliver rich, actionable, and scale-appropriate data.

54 ENVIRONMENTAL SCIENCES↗

Earth System Model Development - Energy Exascale Earth System Model (2020 Principal Investigator Meeting Report)

As part of the U.S. Department of Energy (DOE) Office of Biological and Environmental Research (BER), the Earth System Model Development (ESMD) program area supports significant research in Earth system model development, including major efforts in the Energy Exascale Earth System Model (E3SM) project. Convened virtually on October 26–29, the 2020 ESMD-E3SM Principal Investigator (PI) Meeting provided a forum to survey ESMD sponsored research, recent progress made by the ESMD science team and the broader Earth system modeling community within and outside of DOE, foster interactions across ESMD projects, and discuss research gaps and opportunities for future advancements.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Advanced Computing, Data Science, and Artificial Intelligence Research Opportunities for Energy-Focused Transportation Science

The Energy Efficient Mobility Systems (EEMS) technology landscape is complex and rapidly evolving, which provides both tremendous opportunities and formidable challenges. Significant alterations to the mobility landscape are underway due to the advent of vehicle and infrastructure connectivity, autonomous driving, and rapid passenger- and freight-vehicle electrification. Advanced computing will play an increasingly important role in enabling the EEMS program to understand and identify the most important levers to improve the energy productivity of future integrated mobility systems. It is also driving new approaches to mobility and the research to unlock an affordable, efficient, safe, and accessible transportation future. Driving much of this change is the collection, analysis, and strategic use of massive amounts of diverse, complex data from infrastructure and vehicles with on-board sensors and data storage and transmission capabilities. Diverse and representative data are key to implementing approaches to maximize mobility energy productivity. While high-fidelity modeling of integrated transportation networks has strengthened our understanding of dynamic movement and behavior patterns, existing tools must be expanded beyond their current focus. This work necessitates data infrastructure investments (e.g., secure-streaming data platforms driven by ubiquitous sensors and video analytics) as well as investments in critical capabilities for large-scale automated analysis and organization using modern machine learning, statistics, and artificial intelligence. Other chief needs include agile, large-scale storage that can be quickly searched and queried for relevant data to support validation and model development, data-sharing agreements, and formatting standards for key data types. The future of public transit must be explored in greater detail, research must inform design, and opportunities must be identified for improving the mobility productivity of public transit in both urban and rural America.

33 ADVANCED PROPULSION SYSTEMS↗