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At least 109 records · Page 6

Aero-Optics of Hypersonic Turbulent Boundary Layers

Aero-optics refers to optical distortions due to index-of-refraction gradients that are induced by aerodynamic density gradients. At hypersonic flow conditions, the bulk velocity is many times the speed of sound and density gradients may originate from shock waves, compressible turbulent structures, acoustic waves, thermal variations, etc. Due to the combination of these factors, aero-optic distortions are expected to differ from those common to sub-sonic and lower super-sonic speeds. This report summarizes the results from a 2019-2022 Laboratory Directed Research and Development (LDRD) project led by Sandia National Laboratories in collaboration with the University of Notre Dame, New Mexico State University, and the Georgia Institute of Technology. Efforts extended experimental and simulation methodologies for the study of turbulent hypersonic boundary layers. Notable experimental advancements include development of spectral de-aliasing techniques for highspeed wavefront measurements, a Spatially Selective Wavefront Sensor (SSWFS) technique, new experimental data at Mach 8 and 14, a Quadrature Fringe Imaging Interferometer (QFII) technique for time-resolved index-of-refraction measures, and application of QFII to shock-heated air. At the same time, model advancements include aero-optic analysis of several Direct Numerical Simulation (DNS) datasets from Mach 0.5 to 14 and development of wall-modeled Large Eddy Simulation (LES) techniques for aero-optic predictions. At Mach 8 measured and predicted root mean square Optical Path Differences agree within confidence bounds but are higher than semi-empirical trends extrapolated from lower Mach conditions. Overall, results show that aero-optic effects in the hypersonic flow regime are not simple extensions from prior knowledge at lower speeds and instead reflect the added complexity of compressible hypersonic flow physics.

36 MATERIALS SCIENCE↗

SARS-CoV-2 transmission control in California correctional facilities

LBNL provided technical assistance to the CalPROTECT project, which is a collaboration between the University of California, Berkeley and the University of California, San Francisco. The CalPORTECT team provided support and guidance to the California Department of Corrections and Rehabilitation (CDCR) and the California Correctional Health Care Services (CCHCS) in their response to the COVID-19 pandemic. The CalPROTECT team provided recommendations to mitigate the risk posed to the residents and staff who live and work in CDCR prisons through considering scientific knowledge of the virus, analyzing anonymized resident and staff level data from CCHCS, evaluation of statewide and institution-level policies, and data collection during site visits to CDCR prisons during the pandemic.

59 BASIC BIOLOGICAL SCIENCES↗

High Temperature Optocoupler for 3D High Density Power Modules

The goal of this proposed research is to develop a reliable high-temperature optocouplers, which can operate at 250°C with at least ten-year lifetime, and replace isolation transforms as the galvanic isolation solution for the 3D integration of high density power modules. The electrification of future transportations (i.e., electric vehicles) will continuously drive the demand for high density power modules. Optocouplers (i.e., packaged light emitter and detector) as a promising candidate to replace bulky isolation transformers are highly desirable to facilitate the continuous scale-down of gate driver circuitry that will lead to 3D high density power modules and achieve disruptive performance in terms of thermal management, power density, power efficiency, reliability and operating environments. However, regular semiconductor optoelectronic materials and devices have significant difficulty functioning in the harsh environments designated for high density power module usage (such as operation at high temperatures). Ultimately, it is not the intrinsic properties of power devices that prevent their use at higher temperatures, but rather the low voltage electronics needed to drive them and the packaging that surrounds them. The typical operating temperature for optocouplers is only up to 100°C, due to the limitations of light emitting diode (LED) devices inside and packaging materials. A systematic characterization methodology will be developed to analyze the performance, lifetime and reliability of LED devices and distinguish multiple failure mechanisms at high temperatures. An original methodology of “design for reliability” will be developed to design the optoelectronic devices with high reliability and long lifetime at high temperatures. A new architecture of high temperature high reliable optocouplers will be developed, fabricated and demonstrated with continuous operating at 250°C. The development of efficient, reliable high density 3D power modules is the foundation for energy efficiency and energy reliability. Enabled with advanced 3D integration and packaging technologies, high density power module solutions can achieve much more superior performance over the conventional discrete solutions in terms of efficiency, thermal management and power density. The proposed concept of high temperature optocouplers as the galvanic isolation solution for high density power modules will bring together interdisciplinary research involving the wide bandgap materials, optoelectronics, high reliable device design, electronics packaging and power modules. A streamline of skilled personnel would be trained including graduate and undergraduate students, local engineers and scientists which are in great demand to both academia and optoelectronics industry. The proposed research topics, such as, solid state lighting and high temperature device reliability, are currently of major interest at the Department of Energy, in particular, Sandia National Laboratories. This project can enhance collaborations between the University of Arkansas (UA) and Sandia National Laboratories. The findings of the proposed research are expected to be integrated into high density 3-D power modules at the Engineering Research Center for Power Optimization for Electro-Thermal Systems (POETS).

42 ENGINEERING↗

Materials genome innovation for computational software (magics) center

Functional layered material (LM) architectures will dominate nanomaterials science in this century. We have developed theory, modeling, simulation, and software and data tools that enhance understanding and AI guide synthesis, enable characterization of complex structures, and improve capabilities in the predictive design and growth of LMs. Research at the Center has focused on: Computational synthesis and characterization: AI guided synthesis and experimental synthesis of stacked LMs with tailored properties via optimized chemical vapor deposition (CVD) growth and liquid-phase exfoliation; study defects, edges, grain boundaries, wrinkling of atomic layers and their effects on chemical, mechanical, electrical, and optical properties. Far-from-equilibrium processes: Joint experimental and simulation based probe of electronic processes with NAQMD and ultrafast X-ray free-electron laser (XFEL) and ultrafast electron diffraction (UED) facilities at Stanford. Experimentally validate NAQMD by ultrafast electron diffraction and X-ray spectroscopy studies of structural and excited state dynamics, shape fluctuations, and phonon dynamics. Scalable software: Simulation engines for desktop-to-exascale platforms using low-overhead, linear-scaling QMD algorithms; divide-conquer-recombine NAQMD with electronic excitations; extended-Lagrangian reactive molecular dynamics (RMD), machine learning (ML) based neural-network quantum molecular dynamics (NNQMD), and super-state accelerated molecular dynamics (AMD) and kinetic Monte Carlo codes; thermal and electrical transport software; and design 3D architectures of LMs with desired functionality using scalable software. Distribution of software and data, and training: Software and simulation-experimental data generated within the Center are distributed to the materials science community via Berkeley Materials Project (MP) framework. We have also organized three workshops for software distribution and training at USC (Nov. 2017, Mar. 2018) and Gaithersburg, MD (Nov. 2018) to train researchers, with the last one in focused on underrepresented groups, in collaboration with Howard University which is one of the largest HBCUs. The Center supported a total of 46 personnel and 6 undergraduate students. These include 14 faculty, 11 postdoctoral research associates, 20 graduate research assistants, and mentored 6 undergraduate students. This resulted in the publications of 63 research papers that include 46 publications on Reactive and Quantum Dynamics Simulations, 13 publications on Machine Learning for Quantum Materials, and 4 publications on Quantum Computing.

2D Materials↗

Final Report for Center for Tokamak Transient Simulations at USU

Providing plasma fluid codes like NIMROD with continuum drift kinetic (CDK) physics that is quantitatively valid and computationally feasible throughout the spatial domain is difficult. Work at Utah State University (USU), in collaboration with the Center for Tokamak Transient Simulations (CTTS), focused on applying CDK closures in disruption-related calculations. Three examples where kinetic physics is paramount are (1) the electron stress tensor closure in Ohms law for accurately describing neoclassical tearing mode (NTM) evolution, (2) runaway electron (RE) density (nRE) and current (jRE) moments in NIMROD’s extended MHD model for self-consistent evolution of RE populations during disruptions and, (3) energetic ion effects on a myriad of MHD instabilities. While NTM simulations and continuum and PIC approaches to energetic ions in NIMROD have been a major goals of USU’s closure work for several years, the development of self-consistent CDK RE capability in NIMROD was started and extended considerably during the CTTS effort. Some goals of CDK RE in NIMROD are to explore the effects of the 2D relativistic phase space in 4D simulations and compare with NIMROD’s fluid RE model. Four publications and two PhD theses came out of the USU CTTS effort.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

High‐Throughput Computational Guided Development of Refractory Complex Concentrated Alloys‐based Composite

ULTIMATE is a leading-edge DOE program to develop ultrahigh temperature materials for gas turbine use in the aviation and power generation industries. This team, headquartered at West Virginia University and including collaborators from the National Energy Technology Laboratory and Advanced Manufacturing LLC, has developed a new class of ultra-high temperature Refractory Complex Concentrated Alloys-based Composites (RCCC) for high temperature applications such as combustion turbines used in the aerospace and energy industries. The RCCC consist of Refractory Complex Concentrated Alloys (RCCA) mixed with particles of Refractory High Entropy Carbides, to increase RCCA strength to withstand extreme conditions. These new materials optimize the balance among strength, creep (deformation), density, and stability at 1300 °C (2372 °F), while maintaining ductility once the alloy cools to room temperature. The research team has developed advanced manufacturing processes using the pulsed electric current and laser 3D printing to produce test coupons of these materials.

36 MATERIALS SCIENCE↗

Efficient green and yellow light-emitting diodes (LEDs) for solid-state lighting applications

In this project, Lumileds, the University of Michigan, the University of New Mexico, Sandia National Laboratories, and Ohio State University conducted a collaborative and comprehensive research effort to investigate the most promising approaches to improve green and yellow InGaN LEDs. Advanced LED characterization methods and predictive model calculations were applied to design optimization experiments more effectively and accelerate the pace of improvements.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Absolute Neutron Rate Measurement and Non-Thermal/Thermonuclear Fusion Differentiation

The goal of fusion energy is to produce significantly more energy from fusion reactions than is input into the device. One of the products of fusion reactions is neutrons, which, due to their lack of charge, provide a unique view into the parameters of the device. Lawrence Livermore National Laboratory (LLNL) in collaboration with the University of California, Berkeley (UCB) have designed, assembled, and fielded a robust and portable neutron detection system known as PANDA (Portable and Adaptable Neutron Diagnostics for ARPA-E). This detector suite consists of three LaBr activation detectors that are calibrated to give a total neutron yield on shot, and twenty-four scintillators coupled to photo-multiplier tubes (SPMT). The SPMTs can be configured to attain spatial, temporal and/or energy information from fusion neutrons. The system was designed to be portable and is compartmentalized so that individual components can be used at different fusion facilities. During the duration of this work, part of the system was installed at the FuZE facility, a part of Zap Energy. Another component was installed that the CESZAR facility at the University of California, San Diego (UCSD) to support experiments by Magneto-Inertial Fusion Technologies, Inc. (MIFTI). The diagnostics were successful at both locations and the LLNL/UCB team supported the data analysis by creating and running analysis scripts and Monte-Carlo calculations. At Zap Energy the diagnostics demonstrated that the fusion from the FuZE device is thermonuclear in nature, a result that resulted in an invited talk at the American Physical Society Division of Plasma Physics and an invited paper. Additionally, temporal and spatial data was taken using the SPMTs to understand the duration and length of fusion production. At UCSD the neutron yield from the diagnostics was used to show improvements to fusion yields on their gas puff Z-pinch when using a gas shell surrounding the fuel. The success in this diagnostic has led to continued work at both Zap Energy and MIFTI, as well as follow on funding and interest at other fusion energy companies.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Improving and Assessing the Quality of Uncertainty Quantification in Deep Learning

Deep learning (DL) models have enjoyed increased attention in recent years because of their powerful predictive capabilities. While many successes have been achieved, standard deep learning methods suffer from a lack of uncertainty quantification (UQ). While the development of methods for producing UQ from DL models is an active area of current research, little attention has been given to the quality of the UQ produced by such methods. In order to deploy DL models to high-consequence applications, high-quality UQ is necessary. This report details the research and development conducted as part of a Laboratory Directed Research and Development (LDRD) project at Sandia National Laboratories. The focus of this project is to develop a framework of methods and metrics for the principled assessment of UQ quality in DL models. This report presents an overview of UQ quality assessment in traditional statistical modeling and describes why this approach is difficult to apply in DL contexts. An assessment on relatively simple simulated data is presented to demonstrate that UQ quality can differ greatly between DL models trained on the same data. A method for simulating image data that can then be used for UQ quality assessment is described. A general method for simulating realistic data for the purpose of assessing a model’s UQ quality is also presented. A Bayesian uncertainty framework for understanding uncertainty and existing metrics is described. Research that came out of collaborations with two university partners are discussed along with a software toolkit that is currently being developed to implement the UQ quality assessment framework as well as serve as a general guide to incorporating UQ into DL applications.

97 MATHEMATICS AND COMPUTING↗

Mixed-phase Convective Clouds in the Polar Marine Boundary Layer

This proposal, a collaboration between two universities, firstly aims to describe the high-latitude CAO cloud regime using the array of instruments at the NSA (Barrow, Alaska) and at two mobile ARM sites (MARCUS 2017-18, and COMBLE 2020). These ARM data, and the multi-sensor variables we propose to derive, allow detailed descriptions of mesoscale organization of precipitation, thermodynamic profiles, vertical velocity, cloud depth, and cloud and precipitation properties. These observations are key for our second goal, which is to use output from validated cloud- and eddy-resolving simulations to gain insights into the linkages between microphysical processes, the MBL vertical structure, and the MBL dynamics that control cloud macrostructure.

54 ENVIRONMENTAL SCIENCES↗

Ultrasound Interim cyber-physical research evaluation

Recent events have presented Medical Practitioners with concerns about safety and privacy implications associated with GE’s VScan MIot Ultrasound Device. Concerns relate to the devices potential risk to broadcast location data that can pose serious risks to device users and patients. This report was commission in collaboration with Augusta University to determine if device concerns pose real threat to operators and patients. In effort to ensure all potential threat vectors are targeted, the initial step was to analyze the supply chain. Here the devices are CT scanned to look for any hardware anomalies that could present threat vectors to users of these devices. (See SRNL-STI-2024-00225 for detailed analysis). No anomalies were found associated with the hardware utilized within the GE VScan Air.

42 ENGINEERING↗

Abstract for CRADA between NETL and Louisiana State University

The National Energy Technology Laboratory (NETL) and Louisiana State University (PARTICIPANT) will collaborate in developing and testing distributed optical fiber CO 2 sensors for CO 2 storage site monitoring. Safe and reliable monitoring of CO 2 storage sites and transport infrastructure is critical for ensuring the long-term effectiveness and integrity of carbon capture and storage (CCS). In this project, the objective is to develop a novel optical fiber-based distributed CO 2 sensor for long-term monitoring of CCS sites and CO 2 pipelines and also implement machine learning to automate leak and structural anomaly detection. This effort aligns with NETL’s mission in reliable and sustainable energy and decarbonization.

47 OTHER INSTRUMENTATION↗

Lignite-Derived Carbon Materials for Lithium-Ion Battery Anodes

This project involved collaboration between the University of North Dakota (UND) College of Engineering & Mines, Clean Republic, LLC (CR), and the North American Coal Corporation (NACoal) to develop advanced LIBs anodes from lignite-derived carbon materials. The overall goal of the project was to develop advanced anode materials for LIBs from lignite-derived carbon feedstocks.

01 COAL, LIGNITE, AND PEAT↗

Coal Enhanced PEEK Filament Production for Additive Manufacturing in Industrial Services

The project (Award DE-FE0032146), led by Baker Hughes in collaboration with the University of Wyoming, aims to develop composite PEEK (Polyether-ether-ketone) materials enhanced using coal-derived graphene-based additives suitable for additive manufacturing (3D printing). Coal char (CC), graphene oxide (GO), and reduced graphene oxide (rGO), derived from Powder River Basin (PRB) coal, were successfully integrated into commercial PEEK feedstock. The composite PEEK materials demonstrated tensile and flexural strengths and modulus, Shore hardness, and thermal properties similar to unfilled PEEK. Dielectric strength of 0.5% GO/PEEK is twice that of unfilled PEEK. However, tensile elongation and Izod impact toughness of the composite materials are lower than unfilled PEEK. The 10% CC/PEEK material also shows good recyclability albeit with slightly increased glass transition and cold crystallization temperatures. Filaments of the composite PEEK materials were fabricated using a Filabot system. 3D printing of the composite PEEK initially encountered feeding stoppage caused by the non-uniform diameter of the filament, which was resolved by reducing the nominal diameter from 1.75 to 1.65 mm. The printability of the composite PEEK filaments is limited in geometry and build time, driven by differences in base PEEK feedstock from the commercial PEEK filament at printing conditions. Prototype part printed using the composite filaments shows inconsistent bead width and bead interruption resulting in porosity. Preliminary process and economic evaluation using PRB coal char estimates the cost of GO to be $0.5/lb. Considering the small fraction expected in the composite PEEK, the GO cost is several orders of magnitude lower than the commercial PEEK filament. It is recommended that the printability of composite PEEK filaments to be improved by optimizing the composite PEEK material at the printing conditions and reducing the variations in filament extrusion. Also important is to identify the mechanisms of how coal-derived additives affect the composite PEEK performance and printing characteristics to allow customized material design and processing for target performance.

01 COAL, LIGNITE, AND PEAT↗

Undergraduate Women in STEM Internship Program

In collaboration with the Universities Research Association, Inc. (URA), establishment of the Undergraduate Women in STEM Internship pilot program assists Fermi Research Alliance, LLC (FRA) with honoring its commitment to increasing gender, racial and ethnic workforce diversity. This focused initiative is intended to invite, support and yield a qualified pipeline of alumnae underrepresented in FRA’s science and technology management and technical staff positions. Interns in this program spend 10-12 weeks at Fermilab working under the direct leadership, guidance and supervision of scientists, engineers, computing professionals, technicians and staff across all directorates performing hands-on research. In addition, the intern cohort meets with mentors and advisors to grow their professional networks, to take part in engaging and inclusive intellectual discussions, to directly benefit from workplace resources, and to participate in professional development and social engagement opportunities. The design of each research project and the supervision, mentorship and evaluation is conducted by a scientific, engineering, computing professional at Fermilab.

99 GENERAL AND MISCELLANEOUS↗

High Speed Medium Voltage CHP System with Advanced Grid Support

The project was a collaboration between Clemson University and TECO Westinghouse Motor Company. The goal of the project was to develop a medium voltage commercial grid-tied system with advanced grid support functions. Current state-of-the-art in medium voltage, multi-megawatt power electronic systems do not support advanced grid functions, traditionally due to power electronic limitations and required applications. The developed system is capable of interacting with the power system at the distribution level to efficiently integrate gas turbine generation systems or any other ac generation system with up to 20MWe of power production capacity. This project demonstrated a high level of technical readiness of the 1MW, 500Hz, 15000 RPM high frequency Combined Heat and Power (CHP) generator and electric machine system, utilizing advanced grid support functions required by IEEE Std. 1547-2018.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Resilient Operation of Networked Community Microgrids with High Solar Penetration

This project, funded by the US Department of Energy’s Solar Energy Technologies Office (SETO), focused on the operation of microgrids as a coordinated network. The primary objective, which was successfully achieved, was to develop both control strategies and hardware solutions to support the resilient and efficient operation of networked microgrids with high solar penetration. The work was structured around the following four main tasks: • Development of distributed and scalable optimization algorithms for AC-coupled networked microgrids. • Design and implementation of a novel DC interconnection hardware to enable precise power exchange between microgrids. • Laboratory operational validation of the developed technologies using 480 V testbeds and commercially available hardware. • Field operational validation of the complete solution in Adjuntas, Puerto Rico, interconnecting two kW-scale, split-phase microgrids of Casa Pueblo’s microgrids. This project addressed multiple technical challenges across the domains of optimization, control, hardware interconnection, and protection. One of its key contributions was delivering tangible, real-world solutions for networking microgrids. In contrast to purely theoretical or simulation-based work, this project included full-scale hardware operational validation both in the lab and in the field. The work conducted as part of this project—in collaboration with the University of Puerto Rico; the University of Tennessee, Knoxville; the University of Central Florida; and Casa Pueblo—has advanced the state of the art in networked microgrids. Key contributions include the development of distributed control strategies, practical solutions for real-world implementation challenges, and the introduction of a novel DC interlink approach for microgrid interconnection. The project featured both laboratory and field validation using commercial off-the-shelf components. The field deployment successfully validated that a group of microgrids can operate in a coordinated manner, enabling precise power flow between systems and mutual support during extreme events. This project resulted in 15 journal publications and 15 conference papers; 5 graduate students and 15 undergraduate students were supported. The codes of distributed optimization and forecasting were made open-source through OSTI.gov for distributed optimization and forecasting. All the publications are available in the ORNL-hosted project landing page. The DC interlink with state-of-charge balancing control was operationally validated in Adjuntas by interconnecting two real-world, 240 V split-phase microgrids. To the best knowledge of the team, this represents the first operational validation of AC microgrids interconnected via DC-interlinks. As a culmination of this project, a follow-on grant was awarded to support the technology transfer of the distributed optimization framework to a commercial microgrid controller, Stellar Edge, developed by the California-based company New Sun Road.

14 SOLAR ENERGY↗

Confinement Exploiting Arrays of Cross-Flow Turbines (ConExT) (Final Scientific/Technical Report)

Final technical report for the ARPA-E SHARKS project: Confinement Exploiting Arrays of Cross-Flow Turbines (ConExT). This involved collaboration by the University of Washington, University of Wisconsin, National Renewable Energy Laboratory, and Oberon Insights. Cost-effective, large-scale utilization of tidal and river current resources requires turbine arrays. Most array concepts involve multiple, staggered rows of turbines analogous to wind farms. However, in water, turbines that have an appreciable projected area (i.e., the projected area over a full revolution) relative to a channel’s cross-sectional area can theoretically extract far more energy than when operating in isolation. This suggests substantial benefits to a confinement-exploiting approach to array layout, in which turbines are more densely clustered in a single row spanning a channel. The objective of this project was to move this concept from theory to practice, as well as establishing environmental and economic trade-offs. This objective was accomplished through scale-model experimentation, high-fidelity computational fluid dynamic simulation, and integrated techno-economic modeling.

16 TIDAL AND WAVE POWER↗