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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
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DOE OSTI2021

Conasauga Shale Research Consortium (CSRC) (Final Report)

The objective of the Conasauga Shale Research Consortium (CSRC) project was to establish a field laboratory and utilize a horizontal well of opportunity to conduct a scientific study designed to advance the understanding of the petrophysical and geomechanical properties of the emerging Rogersville Shale unconventional oil and gas play. Unfortunately, just as the research program was beginning, our industry partner lost a primary investor in the horizontal well which was intended to be the ‘well of opportunity’ for the project. In a negotiated restructuring of the project by DOE-NETL and the Awardee consortium, additional time for Budget Period 1 was granted in the hopes that the industry partner could acquire additional investments to allow for the drilling of the horizontal well. This search was ultimately unsuccessful, and the consortium was unable to pass the negotiated Go/No-go Decision Point #1, which resulted in the termination of the project on July 31, 2021.

02 PETROLEUM↗
DOE OSTI2023

Topics in String Theory, Quantum Field Theory And Quantum Gravity

This is the final technical report for DOE Award No. DE-SC0021528 - Topics in string theory, quantum field theory and quantum gravity. The goals of the research program were in three areas - understanding quantum gravity and the internal description of quantum systems using the gauge/gravity correspondence, aspects of entanglement in eld theory, gravity and string theory, and the characterization of the behavior of strongly interacting quantum eld theories. The primary results were on the microscopic understanding of the ER=EPR correspondence as a string duality, and on a matrix model description of the addition of end of the world branes and propagating matter to two dimensional Jackiw-Teitelboim gravity. The former led to the completion of the work shortly after the end of the reporting period and continuing work investigating the properties of the associated stringy black hole microstates. The latter led to the work, which also appeared shortly after the end of the reporting period, and a continuing project to nd a matrix model formulation of the eigenstate thermalization hypothesis and JT gravity with propagating matter.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Examining the Ice-Nucleating Particles from the Eastern North Atlantic (ExINP-ENA) (Field Campaign Report)

The Examining the Ice-Nucleating Particles from the Eastern North Atlantic (ExINP-ENA) field campaign was conducted at the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) user facility’s Eastern North Atlantic (ENA) observatory on Graciosa Island, Azores (39.0916° N, 28.0257° W). The ExINP-ENA campaign began on October 1, 2020, and collected data until March 28, 2021, for a total of 179 days of data generated, with a 45-day intensive operational period (IOP) from October 10 to November 24. This campaign was funded by the DOE Office of Science Early Career Research Program through grant DE-SC001879. This grant contains funding for three field campaigns. The previous field campaign at the Southern Great Plains (SGP) site in Oklahoma, ExINP-SGP, was completed in 2020 (36.6073° N, 97.4876° W), and the upcoming field campaign at the North Slope of Alaska (NSA), ExINP-NSA, will take place from October 2021 at the National Oceanic and Atmospheric Administration (NOAA) Barrow Atmospheric Baseline Observatory (71.3230° N, 156.6114° W).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Excited State Phenomena in Correlated Nanostructures: Transition Metal Oxide Clusters and Nanocrystals

The primary goal of our research program was to apply advanced computational techniques to predict electronic properties of molecular species. These include transition metal monoxide and dioxide clusters and negatively charged copper oxide clusters which are important systems for their utilization in a variety of technological applications. The enhanced electron-electron interactions inherent in these systems make it challenging to model their excited state properties within a parameter-free approach. The excited state properties in question include the interaction of light with these molecules which results in ejection of electrons from the system, or the absorption of light by the molecular system resulting in a molecule in a higher-energy state. Our overall goal was to investigate the impact of various computational and theoretical approaches on such electronic and optical excitations in these systems. Comparing several variants of theoretical approaches with available experimental data, and high-level quantum chemistry computations helped us identify the level of theory and approximations that are needed to achieve a reasonable balance between accuracy and computational demand.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Plasma Mirrors For High Power Lasers: A new approach for high repetition rates combined with realistic PIC simulations

We describe a research program to develop high quality plasma mirrors for use with high repetition rate, high power laser facilities to greatly facilitate experiments in high energy density physics, particularly when using solid density targets. A system delivering ultrathin, free standing liquid crystal films that could handle PW class laser pulses was developed that preserved the laser beam image quality and improved pulse contrast by over two orders of magnitude. The pulse contrast improvement was measured using a high dynamic range cross-correlation. The system operated at a repetition rate of several PMs formed in situ per minute. Extension to 1 Hz repetition rates should be possible. As a practical application, a PM system was used to separate laser accelerated electrons from the ultrashort pulse drive laser so that the electron beam emittance could be directly measured. The 20 nm thick PMs did not contribute significantly to emittance degradation. It was also demonstrated that the films could operate in the difficult plasma and laser environment present for GeV laser based electron acceleration. PM operation is still not well understood and much work with PMs is done empirically. Accordingly, we also demonstrated a particle-in-cell based simulation technique that would model PM operation, tracking the PM operation from cold, neutral atoms to a hot dense plasma by accounting for multiphoton ionization, plasma collisionality, and the dynamically changing index of refraction. Simulations in 3D were compared to a 2D based approach that was comparable. Finally, we developed a simpler model that can predict the intensity at which a plasma mirror will have its peak reflectivity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

All-Digital Plug and Play Passive RFID Sensors for Energy Efficient Building Control

This is the final report for the project “All-Digital Plug and Play Passive RFID Sensors for Energy Efficient Building Control”, funded by DOE, and performed by Clemson University, Phase IV Engineering and Harvard University from October 1, 2016 to December 31, 2020. The main objective of this project is to develop, demonstrate and pre-commercialize a novel, plug & play, battery-free, wireless sensor technology to enable low-cost (<$10 per node) indoor and outdoor temperature and humidity measurement for energy efficient building controls and operations. The proposed technology is based on the novel concept of all-digital sensing and its seamless integration with the passive RFID technology. This project focuses on the design, fabrication, material optimization, interrogation electronics, validation, and demonstration of the novel sensor nodes for building applications. The specific objectives of this research program include: (1) Design, fabricate and optimize a compact, robust, and high-resolution digitizer, which could convert rotation angle into digital numbers. (2) Develop the multi-physics-based modeling and simulation of the temperature/humidity transducer to derive a rational design of the architecture, dimension, structure, materials (i.e., mechanical, electrical, thermal and hygroscopic) properties and functions of the sensor node. (3) Design, fabricate and optimize the bi-material based humidity sensitive coil which could linearly transduce the environmental relative humidity variations to rotation angles. (4) Design, fabricate and optimize an UHF RFID platform which could support long-range passive wireless communications of 8-bit digital numbers. (5) Design, fabricate and optimize the miniaturized all-digital sensor using MEMS technology. (6) Validate the integrated all-digital sensing system in a real building environment to test the system’s performance.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

National User Resource for Biological Accelerator Mass Spectrometry Annual Report

The National User Resource for Biological Accelerator Mass Spectrometry (User Resource) will provide isotopic analysis (primarily radiocarbon or 14C) by accelerator mass spectrometry (AMS) for NIH-funded researchers across the United States and will be the only User Resource of its type in the United States. The User Resource will provide measurement capability and expertise to a research community that requires highly sensitive, quantitative isotope analyses. Since commissioning a new accelerator mass spectrometer in June 2014, we have measured over 4000 samples a year for collaborators and service users. The User Resource will enable us to continue to meet these research needs, as well as provide for new users whose research programs would benefit from AMS as a measurement tool.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2022

Advanced Reactor Safeguards: 2022 Program Roadmap

The Advanced Reactor Safeguards (ARS) program was established in 2020 as part of appropriations for the Advanced Reactor Demonstration Program (ARDP) through the Office of Nuclear Energy in the Department of Energy. The goal of this program is to help address near term challenges that advanced nuclear reactor vendors face in meeting domestic Material Control and Accountancy (MC&A) and Physical Protection System (PPS) requirements for U.S. construction. The technical work in the program is meant to (1) support nuclear reactor vendors with advanced MC&A and PPS designs for next generation reactors, (2) provide technical bases for the regulator, and (3) promote the integration of Safeguards and Security by Design early in the design process. Existing domestic regulations for safeguards and security, as outlined in the Code of Federal Regulations, were written for large light water reactors, and rule-making efforts are underway to develop regulations more suited to different reactor designs. The ARS program seeks to remove roadblocks in the deployment of new and advanced reactors by solving regulatory challenges, reducing safeguards and security costs, and utilizing the latest technologies and approaches for robust plant monitoring and protection. This roadmap discusses the goals of the ARS program, current research, and program plan for the next five years.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2022

Doppler-Free Saturation Spectroscopy (DFSS) for Magnetic and Electric Field Measurements in an FRC plasma

The Cooperative Research and Development Agreement (CRADA) between Oak Ridge National Laboratory (ORNL) and TAE Technologies (TAE) focused on a feasibility study of Doppler-free saturation spectroscopy (DFSS) as a diagnostic strategy to measure the internal magnetic and electric fields of TAE’s C-2W field-reversed configuration (FRC) fusion device. Non-perturbative measurements of magnetic and electric fields in the core of FRCs can provide critical information needed to constrain equilibrium models and for the continued advancement of the fusion research program at TAE. DFSS is a well-established, laser-based absorption spectroscopy technique used to suppress inhomogeneous (Doppler) broadening linewidths and reveal Zeeman/Stark split hyperfine structures of target emission lines. The collaboration involved the use of ORNL’s suite of experimentally validated quantum mechanical modelling codes to simulate theoretical atomic spectra for a variety of machine parameters and laser beam configurations. TAE’s expertise was heavily used to provide measurements/models of the required machine parameters needed as inputs to the simulations. Results of an all-encompassing error analysis demonstrate the favourable capabilities of the diagnostic and provided invaluable insights as to how DFSS can be best used to accurately measure internal B/E-fields in C-2W.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Probing the Structure and Dynamics of Fluid Mixtures in Porous Materials Through Ultrafast Vibrational Spectro-Microscopy and Many-Body Molecular Dynamics

This research program focused on the characterization of both molecular structure and dynamics of aqueous solutions in various metal-organic frameworks (MOFs) and organic polymers that have recently been proposed for applications in water treatment technologies. This was accomplished by integrating ultrafast vibrational spectroscopy and microscopy, which are sensitive to local environments, molecular orientation, and dynamical couplings, with many-body molecular dynamics (MB-MD) simulations, which enable realistic modeling of aqueous systems and porous materials under different thermodynamic conditions. Our studies allowed for identifying the physical mechanisms and characterizing the underlying molecular interactions between water and host materials that determine the adsorption and transport processes of water in various MOFs and β-cyclodextrin polymers – prototypical examples of porous materials and polymers, that have recently been proposed for technological applications in water purification. By combining bulk- and surface-sensitive, spatially resolved ultrafast vibrational spectroscopy with MB-MD simulations, it was possible to gain broad insight into the structure and mobility of water under heterogeneous confinement at various length scales. In particular, measurements of surface- and bulk-sensitive vibrational spectra at single crystal level, integrated with MB-MD simulations were used to characterize domain-specific, structure–binding affinity relationships. Besides providing specific information about the behavior of aqueous solutions in prototypical MOFs and organic polymers for potential applications in water treatment technologies, our studies also provided fundamental insights into the properties of aqueous solutions in confined heterogeneous environments, which have broad implications in many areas, ranging from heterogeneous catalysis to oil recovery, ion transport processes, and reaction-diffusion processes in crowded systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Post-Marcus Theory and Simulation of Interfacial Charge Transfer Dynamics in Organic Semiconducting Materials (Final Report)

The research program developed, validated and applies predictive computational protocols for calculating charge transfer (CT) rates in complex molecular systems, including molecular dyads and triads in liquid solution and solid-state organic semiconducting (OSC) materials. We have established a transformative computational scheme that goes beyond widely used simplifications, to achieve realistic descriptions of CT processes. The approach properly addresses the contribution of molecular environment at ambient conditions to CT processes. Our approach achieves unique insight on investigated CT processes in relevant experimental efforts. The collaborative team included three principal investigators (PIs), with complimentary expertise in classical molecular dynamics simulations and data science (Cheung), state-of-the-art electronic structure calculations (Dunietz), and cutting-edge theory and simulation techniques for modeling energy, charge and coherence transfer dynamics in molecular systems (Geva).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Rating of a Pitch Bearing for a 1.5-Megawatt Wind Turbine

Slew ring or "pitch" bearings are used in wind turbines to connect the blade root to the hub. They support the resulting simultaneous radial, axial, and overturning moment loads while allowing relative rotation of the blade with respect to the hub. NREL has recently begun a research program related to pitch bearing reliability, recognizing its growing importance for wind turbines. The purpose of this first paper is to describe the rating analysis for a reference pitch bearing representative of that used a 1.5-megawatt (MW) wind turbine. The analysis will serve as a baseline for future finite-element analyses and strain and deflection measurements of an installed pitch bearing. If successful, this work will enable the design and specification of more reliable pitch bearings, a key concern in the long-term operation of land-based wind turbines and new development of offshore wind turbines.

17 WIND ENERGY↗
DOE OSTI2022

HFTS-2 (Final Report)

This report delves into the research program, identified tasks, various studies, observations, results, and conclusions under the Hydraulic Fracturing Test Site (HFTS-2) project. This test site is located in Loving County close to the Texas, New Mexico border. The program targeted the Wolfcamp formation in Delaware Basin. The aim of the project was to improve our understanding of hydraulic fracturing processes to not only optimize unconventional resource development in US Basins but to minimize environmental footprint as well. Various new diagnostic technologies were demonstrated at this site, including distributed acoustic microseismic, high resolution strain using Rayleigh frequency band (DSS-RFS), and in-fill proppant logging tool. Significant conclusions from this study include: 1) lateral and vertical fracture growth mapping as well as proppant transport behavior, 2) Use of DSS-RFS as a diagnostic tool to understand cluster level behavior, 3) Validation of proppant log, both at core scale as well as in-fill well implementation, and 4) New modeling tools to map far-field strain response using distributed strain sensing data. Specifically, far-field fracture distribution is influenced by linear fracture corridors defined by the stress-state as well as clustering behavior influenced by spatio-temporal effects. Depletion impacts on new stimulation was demonstrated and technically quantified. Significant vertical fracture height growth was observed. However, our understanding is limited by available gauge data availability. Numerical strain modeling techniques have been developed and demonstrated to help understand observed strain response behavior. Finally, proppant log has been further validated as a useful tool to map propped zones within the SRV. It has also shown very strong correlation with observed drawdown behavior at this test site. This report will detail many of these studies as well as technical results and conclusions from said studies. These include general subsurface characterization work, completion designs as implemented, studies looking at fracture geometry, high resolution microseismic study including source mechanisms, advanced DSS-RFS studies including drainage characterization, core characterization results, proppant analysis (core and in-fill child well), geochemistry, etc.

02 PETROLEUM↗
DOE OSTI2023

Application of Heat Transfer Enhancement (HTE) System for Improved Efficiency of Power Plant Condensers

The mission of the National Energy Technology Laboratory (NETL), a U.S. laboratory under the Department of Energy, is to drive innovation and deliver solutions for an environmentally sustainable and prosperous energy future. Through the U.S. Department of Energy (DOE)/Fossil Energy’s (FE) Crosscutting Research Program, NETL funded Interphase Materials to develop and demonstrate a technology to improve power plant condenser efficiency. From 2018 through 2021, Interphase Materials developed THERMOPHASE, an advanced material applied to the condenser during plant operation to increase efficiency and lower fuel consumption, CO 2 emissions, and water withdrawal. THERMOPHASE was evaluated in controlled environments where improvements to heat transfer and a reduction in fouling were observed. THERMOPHASE was also applied to the main condenser of the Longview Power plant and changes to the plant performance were monitored. After two years following application of THERMOPHASE, a reduction in condenser back pressure of 0.26 ± 0.13 inHg was observed resulting in an estimated $3.35M in fuel savings, 136 million lbs. of decreased CO 2 emissions, and 1,287 million gallons reduced water withdrawal.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2023

Miniaturized Hybrid Materials Inspired by Nature (Final Technical Report)

The objective of our research program is to develop a fundamental scientific understanding of assembly in biomolecular materials mediated by mechanisms that mimic complex events in the cellular environment. The building blocks that we study include globular, disordered, and filamentous proteins, lipids, and nucleic acids. Notably, the nanoscale assemblies may either be similar to, or highly distinct from, those occurring in vivo, owing to the complex nature of the systems. Novel assemblies may further result due to controlled shape changes in building blocks.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Atomistic theories and Simulations of Multiferroics

The goal of this award was to build a research program aimed at investigating puzzling complex phenomena in multiferroics, that are systems possessing electric and magnetic dipoles. We first emphasized the study of multiferroic nanostructures, that are 0D, 1D, 2D systems as well as superlattices and then also study multiferroics as a whole, i.e., bulks as well. In order to fully understand such complex systems, we also decided to study magnetic systems and ferroelectrics, both in their nanostructure and bulk forms. For that and in addition to use standard Density Functional Theory codes, we developed and used ab-initio tools that are able to model properties of large supercells (about a million atoms nowadays) at finite temperature and for any mechanical and boundary conditions. We also collaborated with experimentalists to fully understand the systems under study. The whole program resulted in 108 publications that are listed at the end of this report. In the following, I will put an emphasis on some publications before the last award period and also indicate a description of the last award period.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

MQXFA Series Magnet Production Specification: US HL-LHC Accelerator Upgrade Project

The purpose of this document is to define the specifications for the structure fabrication and assembly of MQXFA series magnets to be used by the US High-Luminosity LHC Accelerator Upgrade Project (AUP). Magnets fabricated according to these specifications are expected to allow MQXFA magnets to meet the MQXFA Functional Requirements Specification. These specifications for the fabrication of MQXFA series magnets are based on the R&D performed by the US LHC Accelerator Research Program (LARP) and the development performed by AUP, in collaboration with CERN, through fabrication and test of pre-series coils and magnets.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Fabricating Single Crystal Quantum Dot Solids

The central goal of this research program was to establish fundamental synthesis and processing principles to enable the fabrication of single crystal quantum dot solids (QDS) with programmable structure (i.e., hexagonal and square) and composition. Our approach towards that goal leveraged access to and experience with unique in-situ, multi-probe characterization techniques to understand and ultimately control the fundamental relationship between processing conditions and nucleation and growth of QDS. The program integrated synthesis and fabrication (Hanrath) with in-situ TEM analysis (Kourkoutis) and computational modeling (Clancy) to gain atomic-level insights into the underlying physical phenomena governing assembly and attachment and to guide the development of optimized processing methods. We have established a foundational understanding of physicochemical interactions of self-assembly at a fluid interface, superlattice structure transformation pathways, the critical role of disorder during the initial dimerization of colloidal quantum dot monomers, and the residual strain distribution within the inter-dot epitaxial bridge which hampers the formation of novel electronics states of the quantum dot solids. Collectively, these insights have contributed towards advancing the mechanistic understanding of the complex choreography of assembly and attachment as well as understanding what currently limits further advances in high-fidelity quantum dot solids and tiles.

36 MATERIALS SCIENCE↗