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At least 883 records · Page 49

Quantitative analysis of Raman spectral parameters for carbon fibers: practical considerations and connection to mechanical properties

Although the literature on the Raman spectra of carbon fibers is vast, no consistent, robust predictive relationship between mechanical properties of carbon fibers and spectral parameters exists. This shortcoming is due to the use of numerous fitting functions to evaluate Raman spectra of carbon fibers and the inconsistencies in establishing the best fitting models in a statistically robust fashion. To address this gap, we present a comprehensive work on the Raman spectra of carbon fibers that combines a vast library of experimental data with a robust numerical analysis and a statistical evaluation of a wide range of suggested fitting models. This manuscript begins with a brief review of the commonly applied fitting models. Then, the Raman spectra of 32 commercially available polyacrylonitrile-based carbon fibers collected at excitation wavelengths 532, 633, and 785 nm are presented and the best fit for all fibers is evaluated based on several statistical criteria in conjunction with numerical calculations and physical arguments. The results suggest that high-performance fibers must be fit with at least five peaks, whereas high-tensile modulus fibers are best fit with at least six distinct peaks. Finally, we employ simultaneous fitting of the Raman spectra of specific fibers and wavelengths and demonstrate that strong correlations exist between mechanical properties and the D1 peak position and shape across the range of evaluated mechanical properties. Finally, we suggest straightforward improvements in fitting analysis procedures that can be implemented to increase coherency in the understanding of the underlying carbon fiber microstructure intuited from Raman spectroscopy.

36 MATERIALS SCIENCE↗

Anti-site defect-induced disorder in compensated topological magnet MnBi2-xSbxTe4

Abstract The gapped Dirac-like surface states of compensated magnetic topological insulator MnBi 2-x Sb x Te 4 (MBST) are a promising host for exotic quantum phenomena such as the quantum anomalous Hall effect and axion insulating state. However, it has become clear that atomic defects undermine the stabilization of such quantum phases as they lead to spatial variations in the surface state gap and doping levels. The large number of possible defect configurations in MBST make studying the influence of individual defects virtually impossible. Here, we present a statistical analysis of the nanoscale effect of defects in MBST with x =0.64, by scanning tunnelling microscopy/spectroscopy. We identify (Bi,Sb) Mn anti-site defects to be the main source of the observed doping fluctuations, leading towards the formation of nanoscale charge puddles and effectively closing the transport gap. Our findings will guide further optimization of this material system via defect engineering, to enable exploitation of its promising properties.

36 MATERIALS SCIENCE↗

Commercialization of Reflected Target Non-Intrusive Assessment (ReTNA) Tool, for Indoor Optical Analysis of Heliostats

Under HelioCon, NLR began developing a new optical measurement system, called Reflected Target Non-Intrusive Assessment (ReTNA). ReTNA has shown promise towards addressing metrology gaps for heliostat used in concentrated solar thermal (CST) plant. This project is focused on advancing this measurement system from the laboratory into industry, where it can provide valuable information for heliostat developers during research, development, and qualification of a heliostat design, and be used for quality assurance during heliostat manufacture. Over the course of this project, ReTNA was deployed at several commercial heliostat facilities. The system developed and deployed with the primary project partner, Solar Dynamics LLC, is described in detail. The report discusses each project Milestone, the ending status, the achieved value, and how these Milestones improve and qualify the ReTNA measurement tool. Finally, the final report covers the market advancements, path forward, commercial successes, and lessons learned. Final Technical report for TCF Base Technology-Specific project TCF-23-20118, Commercialization of Reflected Target Non-Intrusive Assessment (ReTNA) tool, for indoor optical analysis of Heliostats.

14 SOLAR ENERGY↗

Adiabatic diesel engine component development: Reference engine for on-highway applications

The main objectives were to select an advanced low heat rejection diesel reference engine (ADRE) and to carry out systems analysis and design. The ADRE concept selection consisted of: (1) rated point performance optimization; (2) study of various exhaust energy recovery scenarios; (3) components, systems and engine configuration studies; and (4) life cycle cost estimates of the ADRE economic worth. The resulting ADRE design proposed a reciprocator with many advanced features for the 1995 technology demonstration time frame. These included ceramic air gap insulated hot section structural components, high temperature tribology treatments, nonmechanical (camless) valve actuation systems, and elimination of the cylinder head gasket. ADRE system analysis and design resulted in more definition of the engine systems. These systems include: (1) electro-hydraulic valve actuation, (2) electronic common rail injection system; (3) engine electronic control; (4) power transfer for accessory drives and exhaust energy recovery systems; and (5) truck installation. Tribology and performance assessments were also carried out. Finite element and probability of survival analyses were undertaken for the ceramic low heat rejection component.

Hakim, Nabil S.↗

A fine pore-preserved deep neural network for porosity analytics of a high burnup U-10Zr metallic fuel

Abstract U-10 wt.% Zr (U-10Zr) metallic fuel is the leading candidate for next-generation sodium-cooled fast reactors. Porosity is one of the most important factors that impacts the performance of U-10Zr metallic fuel. The pores generated by the fission gas accumulation can lead to changes in thermal conductivity, fuel swelling, Fuel-Cladding Chemical Interaction (FCCI) and Fuel-Cladding Mechanical Interaction (FCMI). Therefore, it is crucial to accurately segment and analyze porosity to understand the U-10Zr fuel system to design future fast reactors. To address the above issues, we introduce a workflow to process and analyze multi-source Scanning Electron Microscope (SEM) image data. Moreover, an encoder-decoder-based, deep fully convolutional network is proposed to segment pores accurately by integrating the residual unit and the densely-connected units. Two SEM 250 × field of view image datasets with different formats are utilized to evaluate the new proposed model’s performance. Sufficient comparison results demonstrate that our method quantitatively outperforms two popular deep fully convolutional networks. Furthermore, we conducted experiments on the third SEM 2500 × field of view image dataset, and the transfer learning results show the potential capability to transfer the knowledge from low-magnification images to high-magnification images. Finally, we use a pre-trained network to predict the pores of SEM images in the whole cross-sectional image and obtain quantitative porosity analysis. Our findings will guide the SEM microscopy data collection efficiently, provide a mechanistic understanding of the U-10Zr fuel system and bridge the gap between advanced characterization to fuel system design.

36 MATERIALS SCIENCE↗

Why Wideband Gap Needs Techno-Economics

The wideband gap community when discussing projects antidotally refers to the cost of the technology, frequently noting the higher wideband gap upfront cost in comparison to the incumbent state of art. Other technologies such as photovoltaics have embraced techno-economics analysis (TEA) as a method of analytically articulating the impacts of research advancements on system performance and lifetime costs. Our TEA shows the potential impact of research advancements on Gallium Oxide (Ga2O3) and Silicon Carbide (SiC) wafer manufacturing cost, the impact on the levelized cost of electricity (LCOE) when using a SiC based solar inverter, and lastly how the high cost of devices (SiC in this case) can be offset by other system cuts, such as the footprint and cooling reductions in a 1MW variable frequency motor drive. The specific goal is to show analytically the lifetime cost and performance benefits of adopting wideband gap technology whether it is at the device level or it is cumulative benefit though a simplified balance of system.

14 SOLAR ENERGY↗

Supply Chain Sustainability Analysis of Renewable Hydrocarbon Fuels via Indirect Liquefaction, Ex Situ Catalytic Fast Pyrolysis, Hydrothermal Liquefaction, Combined Algal Processing, and Biochemical Conversion: Update of the 2020 State-of-Technology Cases

The Department of Energy’s (DOE) Bioenergy Technologies Office (BETO) aims to develop and deploy technologies to transform renewable biomass resources into commercially viable, high-performance biofuels, bioproducts, and biopower through public and private partnerships (U.S. Department of Energy, 2016). BETO and its national laboratory teams conduct in-depth techno-economic assessments (TEA) of biomass feedstock supply and logistics and conversion technologies to produce biofuels. There are two general types of TEAs: A design case outlines a target case (future projection) for a particular biofuel pathway. It enables identification of data gaps and research and development needs and provides goals and benchmarks against which technology progress is assessed. A state of technology (SOT) analysis assesses progress within and across relevant technology areas based on actual results at current experimental scales relative to technical targets and cost goals from design cases, and includes technical, economic, and environmental criteria as available. In addition to developing a TEA for a pathway of interest, BETO also performs a supply chain sustainability analysis (SCSA). The SCSA takes the life-cycle analysis approach that BETO has been supporting for about 20 years. It enables BETO to identify energy consumption, environmental, and sustainability issues that may be associated with biofuel production. Approaches to mitigate these issues can then be developed. Additionally, the SCSA allows for comparison of energy and environmental impacts across biofuel pathways in BETO’s research and development portfolio. This technical report describes the SCSAs for the production of renewable hydrocarbon transportation fuels via a range of conversion technologies in the 2020 SOTs: (1) renewable high octane gasoline (HOG) via indirect liquefaction (IDL) of woody lignocellulosic biomass (note that the IDL pathway in this SCSA represents the syngas conversion design [Harris et al. 2021]); (2) renewable gasoline (RG) and diesel (RD) blendstocks via ex situ catalytic fast pyrolysis of woody lignocellulosic biomass [Abhijit et al. 2021]; (3) RD via hydrothermal liquefaction (HTL) of wet sludge from a wastewater treatment plant; (4) renewable hydrocarbon fuels via biochemical conversion of herbaceous lignocellulosic biomass (Davis et al. 2021; Lin et al. 2021); (5) renewable diesel via HTL of a blend of algae (Davis and Klein, 2021) and woody biomass (Hartley et al. 2020); and (6) renewable diesel via combined algae processing (CAP) (Wiatrowski and Davis, 2021). This technical report focuses on the environmental performance of these six biofuel production pathways in their 2020 SOT cases. The results of these renewable hydrocarbon fuel pathways in these SCSA analyses update those for the respective 2019 SOT cases (Cai et al. 2020). They also provide an opportunity to examine the impact of technology improvements in both biomass feedstock production and biofuel production that have been achieved in 2020 SOTs on the sustainability performance of these renewable transportation fuels. The SCSA results also reflect updates to Argonne National Laboratory’s Greenhouse gases, Regulated Emissions, and Energy use in Technologies (GREET®) model, which was released in October 2020 (Wang et al. 2020). These GREET updates include the production of natural gas, electricity, and petroleum-based fuels that can influence biofuels’ supply chain greenhouse gas (GHG) (CO 2 , CH 4 , and N 2 O) emissions, water consumption, and air pollutant emissions. GHG emissions, water consumption, and nitrogen oxides (NO x ) emissions are the main sustainability metrics assessed in this analysis. In this analysis, we define water consumption as the amount of water withdrawn from a freshwater source that is not returned (or returnable) to a freshwater source at the same level of quality. Life-cycle fossil energy consumption and net energy balance, which is the life-cycle fossil energy consumption deducted from the renewable biofuel energy produced, are also assessed.

09 BIOMASS FUELS↗

Impact of Increased Inverter-Based Resources on Power System Small-Signal Stability

The transformation of the power system to include more distributed energy resources (DER) implies an increase in the number of inverter-based resources deployed on the grid. Envisioning future scenarios, this paper presents a small-signal stability analysis for a power grid comprising synchronous generators and inverter-based resources. Three types of inverter control are considered: grid following, droop-controlled grid forming, and virtual oscillator control grid forming. Although small-signal stability of power systems is a widely studied topic, systematic analysis of mixed machine-inverter systems with detailed control models at various inverter levels are limited. This paper addresses the gap with numerical simulations tailored to the IEEE 39-bus system. Results show the system may become unstable at high inverter level of grid-following inverters, and grid-forming inverter control can potentially improve system stability, thereby enabling very high level of DERs.

grid-following inverter↗

Polariton Condensation in Gap-Confined States of Photonic Crystal Waveguides

Here, the development of patterned multiquantum well heterostructures in GaAs/AlGaAs waveguides has recently made it possible to achieve exciton-polariton condensation in a topologically protected bound state in the continuum (BIC). Polariton condensation was shown to occur above a saddle point of the two-dimensional polariton dispersion in a one-dimensional photonic crystal waveguide. A rigorous analysis of the condensation phenomenon in these systems, as well as the role of the BIC, is still missing. In the present Letter, we theoretically and experimentally fill this gap by showing that polariton confinement resulting from the negative effective mass and the photonic energy gap in the dispersion play a key role in enhancing the relaxation toward the condensed state. In fact, our results show that low-threshold polariton condensation is achieved within the effective trap created by the exciting laser spot, regardless of whether the resulting confined mode is long-lived (polariton BIC) or short-lived (lossy mode). In both cases, the spatial quantization of the polariton condensate and the threshold differences associated to the corresponding state lifetime are measured and characterized. For a given negative mass, a slightly lower condensation threshold from the polariton BIC mode is found and associated to its reduced radiative losses, as compared to the lossy one.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Characterization of Internal Insulation Thermal Performance

A test campaign was performed to build an SRM-insulation-material thermal-performance database using MSFC’s Solid Fuel Torch that could be leveraged to enhance understanding of the relationship between ablation rates and internal-environment parameters and improve insulation performance predictions. Seven hot-fire tests were performed along with data analysis that revealed the thermal performance differences among the tested materials. Functional Data Analysis was employed to create a model of material ablation rate as a function of six covariates. The relative importance of several environmental parameters was indicated, and the gaps in the operational space covered by the database were identified.

Ablation↗

Medium- and Heavy-Duty Vehicle Electrification: An Assessment of Technology and Knowledge Gaps

The objective of this assessment was to leverage current medium- and heavy-duty vehicle (MHDV) data and information to evaluate the state of commercial vehicle electrification technologies, including the following: 1. Assessment and inventory of current MHDV electrification architectures; 2. Identification and assessment of MHDV component technologies; 3. Assessment of potential performance and cost drivers; and, 4. Identification of R&D gaps where appropriate R&D and technology would accelerate commercial vehicle electrification. These gaps include shortfalls in technology, gaps in data, and inadequate knowledge and understanding. To inform this study, the National Renewable Energy Laboratory–Oak Ridge National Laboratory team examined the open literature; conducted workshops; assessed and analyzed data on more than 175 electrified MHDVs, including vehicle and powertrain specifications; and conducted one-on-one meetings with industry representatives. This systems-level information was concatenated and parsed with respect to key characteristics such as battery energy, power, and range compared across vehicle classes. Operational data of many conventional vehicles were also examined to help determine the requirements on electrified vehicle attributes such as range. Previous studies on the total cost of ownership of electrified MHDVs were reviewed to determine where improvements in technologies (efficiency, cost, maintenance) were needed to accelerate adoption. The team also assessed the state of the art in electric drivetrains for component specifications and challenges for the commercial vehicle sector, including electric machines, power electronics, and off-board high-power charging systems (extreme fast charging and beyond). The goal of this analysis was to identify the barriers to widespread adoption of commercial vehicle electrification technologies and prioritize the research and development gaps that need to be overcome to accelerate significant market penetration of these technologies.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Topological and magnetic properties of the interacting Bernevig-Hughes-Zhang model

We investigate the effects of electronic correlations on the Bernevig-Hughes-Zhang model using the real-space density matrix renormalization group (DMRG) algorithm. We introduce a method to probe topological phase transitions in systems with strong correlations using DMRG, substantiated by an unsupervised machine learning methodology that analyzes the orbital structure of the real-space edges. Including the full multi-orbital Hubbard interaction term, we construct a phase diagram as a function of a gap parameter (m) and the Hubbard interaction strength (U) via exact DMRG simulations on N×4 cylinders. Our analysis confirms that the topological phase persists in the presence of interactions, consistent with previous studies, but it also reveals an intriguing phase transition from a paramagnetic to a stripey antiferromagnetic topological insulator. The combination of the magnetic structure factor, strength of magnetic moments, and the orbitally resolved density, provides real-space information on both topology and magnetism in a strongly correlated system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Characterizing the LANDSAT Global Long-Term Data Record

The effects of global climate change are fast becoming politically, sociologically, and personally important: increasing storm frequency and intensity, lengthening cycles of drought and flood, expanding desertification and soil salinization. A vital asset in the analysis of climate change on a global basis is the 34-year record of Landsat imagery. In recognition of its increasing importance, a detailed analysis of the Landsat observation coverage within the US archive was commissioned. Results to date indicate some unexpected gaps in the US-held archive. Fortunately, throughout the Landsat program, data have been downlinked routinely to International Cooperator (IC) ground stations for archival, processing, and distribution. These IC data could be combined with the current US holdings to build a nearly global, annual observation record over this 34-year period. Today, we have inadequate information as to which scenes are available from which IC archives. Our best estimate is that there are over four million digital scenes in the IC archives, compared with the nearly two million scenes held in the US archive. This vast pool of Landsat observations needs to be accurately documented, via metadata, to determine the existence of complementary scenes and to characterize the potential scope of the global Landsat observation record. Of course, knowing the extent and completeness of the data record is but the first step. It will be necessary to assure that the data record is easy to use, internally consistent in terms of calibration and data format, and fully accessible in order to fully realize its potential.

Arvidson, T.↗

Towards a State Based Control Architecture for Large Telescopes: Laying a Foundation at the VLT

Large telescopes are characterized by a high level of distribution of control-related tasks and will feature diverse data flow patterns and large ranges of sampling frequencies; there will often be no single, fixed server-client relationship between the control tasks. the architecture is also challenged by the task of integrating heterogeneous subsystems which will be delivered by multiple different contractors. Due to the high number of distributed components, the control system needs to effectively detect errors and faults, impede their propagation, and accurately mitigate them in the shortest time possible, enabling the service to be restored. The presented Data-Driven Architecture is based on a decentralized approach with an end-to-end integration of disparate, independently developed software components. These components employ a high-performance standards-based communication middle-ware infrastructure, based on the Data Distribution Service. A set of rules and principles, based on JPL's State Analysis method and architecture, are use to constrain component-to component interactions, where the Control System and System Under Control are clearly separated. State Analysis provide a model-based process for capturing system and software requirements and design, greatly reducing the gap between the requirements on software specified by systems engineers and the implementation by software engineers. The method and architecture has been field tested at the Very Large Telescope, where it has been integrated into an operational system.

European Extremely Large Telescope (E-ELT)↗

Developing Science Operations Concepts for the Future of Planetary Surface Exploration

Through fly-by, orbiter, rover, and even crewed missions, National Aeronautics and Space Administration (NASA) has been extremely successful in exploring planetary bodies throughout our Solar System. The focus on increasingly complex Mars orbiter and rover missions has helped us understand how Mars has evolved over time and whether life has ever existed on the red planet. However, large strategic knowledge gaps (SKGs) still exist in our understanding of the evolution of the Solar System (e.g. the Lunar Exploration Analysis Group, Small Bodies Analysis Group, and Mars Exploration Program Analysis Group). Sending humans to these bodies is a critical part of addressing these SKGs in order to transition to a new era of planetary exploration by 2050.

Young, K. E.↗

Initial Development of Variable Design Lifetimes and Creep-Fatigue Evaluations for ASME Section III, Division 5, Class B Code Rules

This report summarizes the initial development of new ASME Section III, Division 5, Class B rules to address the gaps identified for new high temperature reactor designs. The overall objective is to introduce the design-by-analysis approach, the variable design lifetimes for primary load design, and the strain limits and creep-fatigue damage evaluations for Class B components. It is also desired that the new evaluation procedures do not require stress classification and stress linearization. Further, the data requirements to support the development of design parameters for the new Class B rules would not be overly burdensome, and less extensive than those supporting Class A rules. We have identified the Elastic, Perfectly Plastic (EPP) method as the design by-analysis approach for primary load design, and developed allowable stress criteria for variable design lifetimes, up to 500,000 hours, that only require data typical for the allowable stresses in Section II, Part D, Tables 1A and 1B. We have also adapted the elastic analysis approach from HBB-T-1400 and Section III, Mandatory Appendix XIII, XIII-2400 and XIII-3520(e) for the new Class B creep-fatigue evaluation procedure. A new elastic follow-up-based Isochronous Stress Strain Curve (ISSC) stress relaxation procedure has been developed to provide adequate conservatism commensurate with Class B constructions. No stress classification and stress linearization are required in the new procedure. Future work needed to complete the development is also summarized.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Uncovering extreme nonlinear dynamics in solids through time-domain field analysis

Time-domain analysis of harmonic fields with sub-cycle resolution is now experimentally viable due to the emergence of sensitive, on-chip techniques for petahertz-scale optical-field sampling. We demonstrate how such a time-domain, field-resolved analysis uncovers the extreme nonlinear electron dynamics responsible for high-harmonic generation within solids. Time-dependent density functional theory was used to simulate harmonic generation from a solid-state band-gap system driven by near- to mid-infrared waveforms. Particular attention was paid to regimes where both intraband and interband emission mechanisms play a critical role in shaping the nonlinear response. We show that a time-domain analysis of the harmonic radiation fields identifies the interplay between intra- and interband dynamical processes underlying the nonlinear light generation. With further analysis, we show that changes to the dominant emission regime can occur after only slight changes to the peak driving intensity and central driving wavelength. Furthermore, time-domain analysis of harmonic fields also reveals, for the first time, the possibility of rapid changes in the dominant emission mechanism within the temporal window of the driving pulse envelope. Finally, we examine the experimental viability of performing time-domain analysis of harmonic fields with sub-cycle resolution using realistic parameters.

74 ATOMIC AND MOLECULAR PHYSICS↗

Twisted Diindeno‐Fused Dibenzo[ a , h ]anthracene Derivatives and their Dianions

Abstract We report a facile synthesis of diindeno‐fused dibenzo[a,h]anthracene derivatives ( DIDBA‐2Cl , DIDBA‐2Ph , and DIDBA‐2H) with different degrees of non‐planarity using three substituents (chloro, phenyl, and hydrogen) of various sizes. The planarization of their cores, as evidenced by the decreased end‐to‐end torsional angles, was confirmed by X‐ray crystallography. Their enhanced energy gaps with twisting were investigated by a combination of spectroscopic and electrochemical methods with density functional theory, which showed a transition from singlet open‐shell to closed‐shell configuration. Moreover, their doubly reduced states, DIDBA‐2Ph 2− and DIDBA‐2H 2− , were achieved by chemical reduction. The structures of dianions were identified by X‐ray crystallographic analysis, which elucidated that the electron charging further distorted the backbones. The electronic structure of the dianions was demonstrated by experimental and theoretical approaches, suggesting decreased energy gaps with larger non‐planarity, different from the neutral species.

Gu, Yanwei↗