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At least 595 records · Page 33

Physics-guided Machine Learning: from Supervised Deep Networks to Unsupervised Lightweight Models [Slides]

Machine learning yields great potentials in improving imaging performance (i.e., accuracy and efficiency). The incorporation of governing equation will improve generalization and alleviate label scarcity. Employ physical properties can reduce model complexity and significantly save training cost without compromising accuracy. Combining SciML imaging and edge computing would allow broader applications in energy, medicine, and other domains.

97 MATHEMATICS AND COMPUTING↗

'Green-in-Three' IT Solutions Protecting Workers and the Environment - 12526

The U.S. Department of Energy (DOE), Environmental Management (EM), DOE Richland Operations Office (RL), Mission Support Alliance (MSA), and Lockheed Martin Services, Inc. (LMSI), Information Technology partnered in an effort to reduce environmental impacts, energy use, and operating costs and improve worker safety through consolidation, centralization, and standardization of Information Technology (IT) assets on the Hanford Site. Green-in-Three is an IT Value strategy, which is moving Hanford from an inefficient, antiquated 20. Century IT architecture to a smart, green, flexible 21. Century IT architecture that delivers information anywhere at any time to Hanford Mission partners. The 'Green-in-three' efforts to date have had a significant impact on meeting and exceeding the overall IT Value Strategy to decrease IT maintenance and delivery costs and move Hanford into a smart, green, and flexible 21. Century IT architecture. Some of the results and impacts are as follows: - Thirteen data centers were reduced to two, freeing up approximately 279 m{sup 2} (3000 ft{sup 2})) of space; - Reduced data center energy use 50%, from 120,000 to 60,000 kW; - Excessed 9 metric tons (10 tons) of server equipment; - Removed and properly disposed of 2871 kg (6,300 lb) lead acid batteries; - Projects saved over $1 M in fiber and copper cable installation through 2011; - Developed or improved partnerships with local, state, and federal agencies, Tribes, and Site contractors; - Increased wireless coverage for improved access to remote areas. Moving forward to 2012, the impact of these accomplishments will be realized in the years to come. IT services will be delivered in days instead of months. Field personnel will have access to information at the point of performance, reducing travel time. Remote monitoring, telemetry, and/or video can be conducted using the wireless network; reducing travel time for field inspections. Emergency personnel have access to critical information at the incident site, saving valuable time. Full deployment of the VoIP technologies will reduce power use by 1,000,000 kWh/yr for telecommunications equipment, driving home the IT Value Strategy of Green-in-Three. (author)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Distributed Acoustic Sensing as a Distributed Hydraulic Sensor in Fractured Bedrock

Distributed acoustic sensing (DAS) was originally intended to measure oscillatory strain at frequencies of 1 Hz or more on a fiber optic cable. Recently, measurements at much lower frequencies have opened the possibility of using DAS as a dynamic strain sensor in boreholes. A fiber optic cable mechanically coupled to a geologic formation will strain in response to hydraulic stresses in pores and fractures. A DAS interrogator can measure dynamic strain in the borehole, which can be related to fluid pressure through the mechanical compliance properties of the formation. Because DAS makes distributed measurements, it is capable of both locating hydraulically active features and quantifying the fluid pressure in the formation. We present field experiments in which a fiber optic cable was mechanically coupled to two crystalline rock boreholes. The formation was stressed hydraulically at another well using alternating injection and pumping. The DAS instrument measured oscillating strain at the location of a fracture zone known to be hydraulically active. Rock displacements of less than 1 nm were measured. Laboratory experiments confirm that displacement is measured correctly. These results suggest that fiber optic cable embedded in geologic formations may be used to map hydraulic connections in three-dimensional fracture networks. A great advantage of this approach is that strain, an indirect measure of hydraulic stress, can be measured without beforehand knowledge of flowing fractures that intersect boreholes. The technology has obvious applications in water resources, geothermal energy, CO 2 sequestration, and remediation of groundwater in fractured bedrock.

54 ENVIRONMENTAL SCIENCES↗

The European Safeguards Research and Development Association Addresses Safeguards and Nonproliferation

The renaissance of efforts to expand the use of nuclear energy requires the parallel development of a renewed and more sophisticated work force. Growth in the nuclear sector with high standard of safety, safeguards and security requires skilled staff for design, operations, inspections etc. High-quality nuclear technology educational programs are diminished from past years, and the ability of universities to attract students and to meet future staffing requirements of the nuclear industry is becoming seriously compromised. Thus, education and training in nuclear engineering and sciences is one of the cornerstones for the nuclear sector. Teaching in the nuclear field still seems strongly influenced by national history but it is time to strengthen resources and collaborate. Moreover with the current nuclear security threats it becomes critical that nuclear technology experts master the basic principles not only of safety, but also of nuclear safeguards, nonproliferation and nuclear security. In Europe the European Nuclear Education Network (ENEN) Association has established the certificate 'European Master of Science in Nuclear Engineering (EMSNE)' as the classic nuclear engineering program covering reactor operation and nuclear safety. However, it does not include courses on nonproliferation, safeguards, or dual-use technologies. The lack of education in nuclear safeguards was tackled by the European Safeguards Research and Development Association (ESARDA), through development and implementation of safeguards course modules. Since 2005 the ESARDA Working Group, called the Training and Knowledge Management Working Group, (TKMWG) has worked with the Joint Research Centre (JRC) in Ispra, Italy to organize a Nuclear Safeguards and Nonproliferation course. This five-day course is held each spring at the JRC, and continues to show increasing interest as evidenced by the positive responses of international lecturers and students. The standard set of lectures covers a broad range of subjects, including nuclear material accountancy principles, legal definitions and the regulatory base and inspection tools and techniques. This 60% core part is given by representatives from regulatory bodies (The International Atomic Energy Agency (IAEA), Institute for Radiological Protection and Nuclear Safety, Directorate General for Nuclear Energy and Transport), industry (AREVA, British Nuclear Group), and research (Stockholm University, Hamburg University, Joint Research Centre-Institute of Transuranic Elements, and Joint Research Centre-Institute for the Protection of the Citizen). The remaining part is completed with topical lectures addressed by invited lecturers, such as from Pacific Northwest National Laboratory and the IAEA addressing topics of physical protection, illicit trafficking, the Iraq case study, exercises, including satellite imagery interpretation etc. With this structure of a stable core plus a variable set of invited lectures, the course will remain sustainable and up-to-date. A syllabus provides the students a homogeneous set of information material in nuclear safeguards and nonproliferation matters at the European and international level. In this way, the ESARDA TKMWG aims to contribute to a two-fold scientific-technical and political-juridical education and training.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A review of the remote sensing of lower tropospheric thermodynamic profiles and its indispensable role for the understanding and the simulation of water and energy cycles: REMOTE SENSING OF THERMODYNAMIC PROFILES

A review of remote sensing technology for lower tropospheric thermodynamic (TD) profiling is presented with focus on high accuracy and high temporal-vertical resolution. The contributions of these instruments to the understanding of the Earth system are assessed with respect to radiative transfer, land surface-atmosphere feedback, convection initiation, and data assimilation. We demonstrate that for progress in weather and climate research, TD profilers are essential. These observational systems must resolve gradients of humidity and temperature in the stable or unstable atmospheric surface layer close to the ground, in the mixed layer, in the interfacial layer—usually characterized by an inversion—and the lower troposphere. A thorough analysis of the current observing systems is performed revealing significant gaps that must be addressed to fulfill existing needs. We analyze whether current and future passive and active remote sensing systems can close these gaps. A methodological analysis and demonstration of measurement capabilities with respect to bias and precision is executed both for passive and active remote sensing including passive infrared and microwave spectroscopy, the global navigation satellite system, as well as water vapor and temperature Raman lidar and water vapor differential absorption lidar. Whereas passive remote sensing systems are already mature with respect to operational applications, active remote sensing systems require further engineering to become operational in networks. However, active remote sensing systems provide a smaller bias as well as higher temporal and vertical resolutions. For a suitable mesoscale network design, TD profiler system developments should be intensified and dedicated observing system simulation experiments should be performed.

58 GEOSCIENCES↗

Vacancy diffusion barrier spectrum and diffusion correlation in multicomponent alloys

Vacancy diffusion serves a crucial role in many important kinetic behaviors and properties of multicomponent alloys. Essential questions, however, persist regarding how chemical complexity affects diffusion and what unique characteristics, if any, set these alloys apart from traditional metals. Using neural network kinetics model, we study vacancy diffusion in NbMoTa alloy across a broad temperature range (2600 to 800 K). Unlike pure metals, the two key diffusion parameters—diffusion correlation factor f and activation energy ΔG m —are not constant in alloys, but instead substantially decrease with decreasing temperature. This temperature dependence arises from a reduced number of active vacancy jump pathways at lower temperatures, leading to more correlated diffusion. Upon examining vacancy diffusion throughout the entire compositional space of the Nb-Mo-Ta system, we discover that the slowest vacancy diffusion surprisingly occurs in the non-equimolar region, rather than the equimolar concentration where the configurational entropy is highest. The diffusion barrier spectrum, characterizing the diffusion energy landscape, is an intrinsic material characteristic, which controls both f and ΔG m and, thereby, the diffusivity. Lastly, we find that the vacancy diffusion rate drops noticeably in the presence of local chemical order in the NbMoTa system, particularly for MoTa alloys with long-range B2 order.

Defects↗

SEE Action Guide for States: Energy Efficiency as a Least-Cost Strategy to Reduce Greenhouse Gases and Air Pollution and Meet Energy Needs in the Power Sector

This guide is designed to provide information to state decision makers and staff on options to advance energy efficiency through strategies designed or implemented at the state and local levels of government and in the private sector.1 The information in this guide is intended to be useful to a wide variety of partners and stakeholders involved in energy-related discussions and decision-making at state and local levels. These energy efficiency options, or “pathways” as they are identified in this guide, can assist states in using energy efficiency to meet air pollution reduction and other policy objectives such as energy affordability and reliability. A pathway is a set of interdependent actions that results in measurable energy savings streams and associated avoided air emissions and other benefits over a period of time. These activities can include state, local, or private sector regulations, policies, programs and other activities. For each of five broad pathways that offer sizable cost-effective energy savings, the guide addresses likely questions policy makers and regulators face when screening for the best opportunities to advance energy efficiency in their state.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

High capacity and good cycling stability of multi-walled carbon nanotube/SnO{sub 2} core-shell structures as anode materials of lithium-ion batteries

The multi-walled carbon nanotube/SnO{sub 2} core-shell structures were fabricated by a wet chemical route. The electrochemical performance of the core-shell structures as anode materials of lithium-ion batteries was investigated. The initial discharge capacity and reversible capacity are up to 1472.7 and 1020.5 mAh g{sup -1}, respectively. Moreover, the reversible capacity still remains above 720 mAh g{sup -1} over 35 cycles, and the capacity fading is only 0.8% per cycle. Such high capacities and good cyclability are attributed to SnO{sub 2} network structures, excellent mechanical property and good electrical conductivity of the multi-walled carbon nanotubes.

36 MATERIALS SCIENCE↗

Understanding electronic structure tunability by metal dopants for promoting MgB 2 hydrogenation

Hydrogen is a promising energy carrier, but its onboard application is limited by the need for compact, low-pressure storage solutions. Solid-state complex metal hydride systems, such as MgB 2 /Mg(BH 4 ) 2 , offer high storage capacities but suffer from sluggish kinetics and poor reversibility. One avenue for improving reactivity is to introduce metal dopants to alter electronic and atomic properties, but the role of these chemical additives remains poorly understood, particularly for the hydrogenation reaction. In this work, we used density functional theory calculations on model MgB 2 systems to rationalize the potential role of metal dopants in destabilizing B–B bonding within the MgB 2 lattice. We carried out detailed electronic structure analyses for 28 different metal dopant adatoms to identify properties that contribute to a dopant’s efficacy. Based on the simulation results, we propose that an intermediate ionic and covalent character of the bonds between adatoms and B atoms is desirable for facilitating charge redistribution, disrupting the B–B bond network, and promoting H 2 dissociation and H atom chemisorption on MgB 2 .

08 HYDROGEN↗

Crystal structure of rivastigmine hydrogen tartrate Form I (Exelon®), C 14 H 23 N 2 O 2 (C 4 H 5 O 6 )

The crystal structure of rivastigmine hydrogen tartrate has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. Rivastigmine hydrogen tartrate crystallizes in space group P 2 1 (#4) with a = 17.538 34(5), b = 8.326 89(2), c = 7.261 11(2) Å, β = 98.7999(2)°, V = 1047.929(4) Å 3 , and Z = 2. The un-ionized end of the hydrogen tartrate anions forms a very strong hydrogen bond with the ionized end of another anion to form a chain. The ammonium group of the rivastigmine cation forms a strong discrete hydrogen bond with the carbonyl oxygen atom of the un-ionized end of the tartrate anion. These hydrogen bonds form a corrugated network in the bc -plane. Both hydroxyl groups of the tartrate anion form intramolecular O–H···O hydrogen bonds. Several C–H···O hydrogen bonds appear to contribute to the crystal energy. The powder pattern is included in the Powder Diffraction File ™ as entry 00-064-1501.

36 MATERIALS SCIENCE↗

Corrective Action Unit 98: Frenchman Flat Five-Year Evaluation Nevada National Security Site, Nevada (Revision 1)

The Corrective Action Unit (CAU) 98, Frenchman Flat (FF) Closure Report (CR) (NNSA/NFO, 2016) and its ensuing Records of Technical Change (ROTCs) (compiled in DOE/EMNV, 2019) required the U.S. Department of Energy (DOE), Environmental Management (EM) Nevada Program’s Underground Test Area (UGTA) Activity to collect data for five years to establish triggers for the monitoring network and analyze the monitoring points for viability in long-term monitoring. This document provides the results of the five-year evaluation and presents recommendations for future monitoring of CAU 98.

54 ENVIRONMENTAL SCIENCES↗

Two–Photon Printing of Shape–Memory Microstructures and Metasurfaces via Radical–Mediated Thiol–Vinyl Hydrothiolation

Shape-memory resists capable of high-resolution curing into arbitrarily designed structures are increasingly demanded for soft robotics, optical sensors, microscale manufacturing, and biomedicine. Amorphous, shape-memory thiol-vinyl networks were printed using two-photon polymerization (2PP) curing of a simple resin formulated with commercially available reagents. The ability to print high-resolution feature sizes down to 200 nm is attributed to the use of radicalmediated, thiol-vinyl step-growth polymerization that quickly crosslinks the resin, limiting diffusive transport. The thermomechanical behavior of the 2PP-cured material analyzed in compression, tension and three-point bending is similar to the behavior of the UV-polymerized samples. To demonstrate the ability to design, field, and test 4D responsive microstructures, an array of nine springs with coil diameters of 330 μm was printed. Following compressive shapefixing, printed arrays can release 11 μJ of stored elastic strain energy when reheated. Further, a new concept of dichroic-memory of a metamaterial device is demonstrated by printing a twisted woodpile structure with circular dichroism as characterized by Mueller Matrix ellipsometry. Furthermore, our results demonstrate how combining high-resolution 2PP curing with stimuli-responsive molecular architectures can further the engineering of responsive microstructures and metamaterials.

36 MATERIALS SCIENCE↗

2023 High Energy Density Science Summer School

The University of California San Diego (UCSD) hosted the High Energy-Density Science (HEDS) Summer School from July 17 – 28, 2023 on the UCSD campus. The goal of the Summer School was to introduce new talent to the breadth of the U.S. HEDS community through lectures, engaging workshops, and discussion sessions with leaders in academia and the national laboratories. The objectives were to inspire young scientists to pursue graduate and professional careers in the fields of HEDS, teach them fundamental HEDS and critical skills, and grant them the opportunity to network with leading academic and national laboratory researchers. Our focus was to attract promising early-career students from across the country.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Thermal modeling of directed energy deposition additive manufacturing using graph theory

Purpose: The purpose of this paper is to develop, apply and validate a mesh-free graph theory–based approach for rapid thermal modeling of the directed energy deposition (DED) additive manufacturing (AM) process. Design/methodology/approach: Here, the authors develop a novel mesh-free graph theory–based approach to predict the thermal history of the DED process. Subsequently, the authors validated the graph theory predicted temperature trends using experimental temperature data for DED of titanium alloy parts (Ti-6Al-4V). Temperature trends were tracked by embedding thermocouples in the substrate. The DED process was simulated using the graph theory approach, and the thermal history predictions were validated based on the data from the thermocouples. Findings: The temperature trends predicted by the graph theory approach have mean absolute percentage error of approximately 11% and root mean square error of 23°C when compared to the experimental data. Moreover, the graph theory simulation was obtained within 4 min using desktop computing resources, which is less than the build time of 25 min. By comparison, a finite element–based model required 136 min to converge to similar level of error. Research limitations/implications: This study uses data from fixed thermocouples when printing thin-wall DED parts. In the future, the authors will incorporate infrared thermal camera data from large parts. Practical implications: The DED process is particularly valuable for near-net shape manufacturing, repair and remanufacturing applications. However, DED parts are often afflicted with flaws, such as cracking and distortion. In DED, flaw formation is largely governed by the intensity and spatial distribution of heat in the part during the process, often referred to as the thermal history. Accordingly, fast and accurate thermal models to predict the thermal history are necessary to understand and preclude flaw formation. Originality/value: This paper presents a new mesh-free computational thermal modeling approach based on graph theory (network science) and applies it to DED. The approach eschews the tedious and computationally demanding meshing aspect of finite element modeling and allows rapid simulation of the thermal history in additive manufacturing. Although the graph theory has been applied to thermal modeling of laser powder bed fusion (LPBF), there are distinct phenomenological differences between DED and LPBF that necessitate substantial modifications to the graph theory approach.

42 ENGINEERING↗

Continuous Improvement Workshops: Stakeholder Ideas for Improving the Weatherization Assistance Program

Through a series of Continuous Improvement Workshops in 2019, network stakeholders identified opportunities for improved coordination, training, procedures and communication across all levels of the Weatherization Assistance Program. Actionable ideas generated through the Continuous Improvement Workshops were synthesized by the National Renewable Energy Laboratory and are presented in this report for DOE's consideration.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Poster and Slide: Energy Loss: Exploring Dissipation Pathways from Ions to In-reactor

Young Researcher Association is hosting an early career poster and networking session on July 25th, 2019. The poster session is designed to provide an overview of the researcher’s experience prior to employment at INL, and their current area of research and interests. The following is a brief description of the major sections of the poster. Before starting at INL in May of this year, my research focused on exploring the effects of electronic and nuclear energy loss on the damage evolution of Ti3SiC2 MAX phase during energetic irradiations. A series of ion irradiations revealed a threshold in electronic energy loss (Se), above which the formation of a FCC-MAX structure is enhanced, accommodating point defects and alleviating lattice strain. However, systematically separating the effects reveals that increasing Se/Sn suppresses this phase formation, thus allowing the strain from point defects to increase and saturate. Presently my research supports Post Irradiation Examination (PIE) of U-Mo fuel for the USHPRR and KJRR programs. The PIE evaluation currently consists of non-destructive examination (NDE) of fuel plates irradiated in the Advanced Test Reactor (ATR), focusing on plate profilometry and fuel swelling analysis. NDE will culminate in finalizing the destructive examination (DE) test plans and execution of said DE. Additionally, I am interested in exploring the roles that different energy dissipation pathways play in the damage evolution of the U-Mo fuel, exploring the mechanisms by which the fuel remains in its meta-stable phase under irradiation at high temperatures.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

The structure and properties of boron carbide ceramics modified by high-current pulsed electron-beam

The present work is devoted to numerical simulation of temperature fields and the analysis of structural and strength properties of the samples surface layer of boron carbide ceramics treated by the high-current pulsed electron-beam of the submillisecond duration. The samples made of sintered boron carbide ceramics are used in these investigations. The problem of calculating the temperature field is reduced to solving the thermal conductivity equation. The electron beam density ranges between 8…30 J/cm{sup 2}, while the pulse durations are 100…200 μs in numerical modelling. The results of modelling the temperature field allowed ascertaining the threshold parameters of the electron beam, such as energy density and pulse duration. The electron beam irradiation is accompanied by the structural modification of the surface layer of boron carbide ceramics either in the single-phase (liquid or solid) or two-phase (solid-liquid) states. The sample surface of boron carbide ceramics is treated under the two-phase state (solid-liquid) conditions of the structural modification. The surface layer is modified by the high-current pulsed electron-beam produced by SOLO installation at the Institute of High Current Electronics of the Siberian Branch of the Russian Academy of Sciences, Tomsk, Russia. The elemental composition and the defect structure of the modified surface layer are analyzed by the optical instrument, scanning electron and transmission electron microscopes. Mechanical properties of the modified layer are determined measuring its hardness and crack resistance. Research results show that the melting and subsequent rapid solidification of the surface layer lead to such phenomena as fragmentation due to a crack network, grain size reduction, formation of the sub-grained structure due to mechanical twinning, and increase of hardness and crack resistance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗