Results for “internal potential distribution”

DOE OSTI2023

Eliminating the Imbalanced Mobility Bottlenecks via Reshaping Internal Potential Distribution in Organic Photovoltaics

The imbalanced carrier mobility remains a bottleneck for performance breakthrough in even those organic solar cells (OSCs) with recorded power conversion efficiencies (PCEs). Herein, a counter electrode doping strategy is proposed to reshape the internal potential distribution, which targets to extract the low mobility carriers at far end. Device simulations reveal that the key of this strategy is to partially dope the active layer with a certain depth, therefore it strengthens the electric field for low mobility carriers near counter electrode region while avoids zeroing the electric field near collection electrode region. Taking advantage of these, PCE enhancements are obtained from 15.4% to 16.2% and from 16.9% to 18.0%, respectively, via cathode p-doping and anode n-doping. Extending its application from opaque to semitransparent devices, the PCE of dilute cell rises from 10.5% to 12.1%, with a high light utilization efficiency (LUE) of 3.5%. The findings provide practical solutions to the core device physical problem in OSCs.

14 SOLAR ENERGY↗

DOE OSTI2022

Optimizing the Internal Cell Structure of the Radon Monitor Based on Electrostatic Collection Method

Abstract As Rn-222 decays, an alpha particle is emitted and the residual polonium nucleus recoils in the opposite direction. At the end of the recoil path, 88% of the polonium atoms have a positive charge and 12% are neutral. The electric potential distribution in the 60 ml hemispherical internal cell of the radon monitor based on electrostatic collection is studied for reducing the combined probability of the positively charged Po-218 and the OH− produced by the ionization of water vapour in the air. The COMSOL software is used to simulate the electric potential distribution in the internal cell of the radon monitor based on the electrostatic collection method at 27°C, a pressure of 0.1 Mpa. For improving the collection efficiency of Po-218 ions, the average collection time along vertical and oblique lines is calculated when the upper surface of the internal cell is plastic, uncharged metal and charged metal, respectively. Assuming that the gas in the internal cell is uniformly distributed, the results show that if the upper surface of the hemispherical internal cell is plastic or uncharged metal, the electric potential formed in the internal cell is more uniform, and it is beneficial to reduce the total collection time of the positively charged Po-218 ions, thereby improving collection efficiency. The simulation results can be used as an effective reference for optimizing the design of the internal cell structure of the radon monitor based on electrostatic collection method.

Fan, Zhongkai (ORCID:0000000181247459)↗

DOE OSTI2020

Characterizing the general chelating affinity of serum protein fetuin for lanthanides

Fetuin is an abundant blood protein that participates in multiple biological processes, including the transport and regulation of calcium. Fetuin is also known to have a high affinity for uranium (as the uranyl dioxo cation) and plutonium, thus it has been suggested as one of the main endogenous chelating biomolecules involved in the transport of actinides following an internal uptake event. Nevertheless, no direct measurements of its affinity for f-elements beside these two actinides have been reported. Here, we investigate the interaction between fetuin and trivalent lanthanides, such as samarium, europium, terbium, and dysprosium, by mass spectrometry and fluorescence spectroscopy. In this work, mass spectrometry results indicated that fetuin has four metal binding sites for the metal ions studied. Upon formation, the metal–protein complexes showed luminescence emission as a result of antenna sensitization of the metal ions, whose photophysics were characterized and exploited to perform direct spectrofluorimetric titrations. Furthermore, the thermodynamic constants were calculated for all complexes, confirming the formation of stable complexes with log $β^{\prime}_4$ values between 26 and 27. In characterizing the affinity of the serum protein fetuin for several f-elements, this study expands upon the initial findings focused on uranyl and plutonium, and contributes to a better understanding of the internal distribution and deposition of lanthanides, potentially representative of trivalent actinides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

A positivity-preserving and conservative intersection-distribution-based remapping algorithm for staggered ALE hydrodynamics on arbitrary meshes

In this study, we introduce new intersection-distribution-based remapping tools for indirect staggered arbitrary Lagrangian-Eulerian (ALE) simulations of multi-material shock hydrodynamics on arbitrary meshes. In addition to conserving momentum and total energy, the three-stage remapper proposed in this work preserves non-negativity of the internal energy. At the first stage, we construct slope-limited piecewise-linear reconstructions of all conserved quantities on zones of the source mesh and perform intersection-based remap to obtain bound-preserving zonal quantities on the target mesh. At the second stage, we define bound-preserving nodal quantities of the staggered ALE discretization as convex combinations of corner quantities. The nodal internal energy is corrected in a way which keeps it non-negative, while providing exact conservation of total energy. At the final stage, we distribute the non-negative nodal internal energy to corners, zones and materials using non-negative weights. Proofs of positivity preservation are provided for each stage. This work is a natural extension of our paper [14] in which a similar intersection-distribution-based remapping procedure was employed. The original version used a nodal kinetic energy fix which did not provably ensure positivity preservation for the zonal internal energy after the final distribution stage. The new algorithm cures this potential drawback by using ‘coordinated’ limiters for piecewise-linear reconstructions, remapping the internal energy to nodes and correcting it before redistribution. The effectiveness of the new nodal fix is illustrated by numerical examples.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Energy-Resolved Femtosecond Hot Electron Dynamics in Single Plasmonic Nanoparticles

Efficient excitation and harvesting of hot carriers from nanoscale metals is central to many emerging photochemical, photovoltaic, and ultrafast optoelectronic applications. Nevertheless, direct experimental evidence of the energy-dependent femtosecond dynamics in ubiquitous tens-of-nanometer gold structures remains elusive, despite the potentially rich interplay between interfacial and internal plasmonic fields, excitation distributions, and scattering processes. To explore the effects of nanoscale structure on these dynamics, we employ simultaneous time-, angle-, and energy-resolved photoemission spectroscopy of single plasmonic nanoparticles. Photoelectron velocity and electric field distributions reveal bulk-like ballistic hot electron transport in different geometries, lacking any signatures of surface effects. Energy-resolved dynamics are measured in the 1–2 eV range and extrapolated to lower energies via Boltzmann theory, providing a detailed view of hot electron lifetimes within nanoscale gold. Here, we find that particles with relevant dimensions as small as 10 nm serve as exemplary platforms for studying intrinsic metal dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

A Primer on FERC Order No. 2222: Insights for International Power Systems

The U.S. Federal Energy Regulatory Commission (FERC) Order No. 2222 is heralded as a landmark rule on distributed energy resources (DER). Issued in September 2020, it is specifically designed for organized wholesale power markets. The rule is nonbinding for utilities that have not chosen to join an organized wholesale power market. This primer, which analyzes the order, focuses on potential insights for similar changes in the international power systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2020

ICME and In-Situ Process Monitoring for Rapid Qualification of Components Made by Laser-based Powder Bed Additive Manufacturing Processes for Nuclear Structural Applications

Additive manufacturing (AM) through selective powder bed melting of successive layers is being considered as disruptive technology for rapid production of low-cost nuclear reactor internal components with complex geometries. However, there is a potential for non-uniform distribution of physical features, such as porosity or microstructural differences, due to variations of temperature across a component build. These heterogeneities make the deployment of traditional material qualification and non-destructive evaluation of AM components difficult. This research project explored the feasibility of using in-situ process monitoring methods and integrated computational materials engineering (ICME) principles as an alternate qualification methodology and approach. This project included six individual tasks: (i) design of artifacts relevant to the nuclear power industry, (ii) evaluation of laser processing and in-situ measurements, (iii) computational modeling, (iv) ex-situ microstructural characterization, (v) evaluation of scaling the methodology for large-scale structures, and (vi) development of a data package to codes and standards organizations. As a part of this research, laser powder bed fusion of metals (316L, Alloy 718, and Ti6Al4V) was explored. This document provides an overview of the research performed over three years and serves as the final U.S. Department of Energy report for this project. In the third year, the project focused on the following activities: (a) in-situ infrared and optical imaging of each layer during processing of representative stainless steel geometries; (b) development of methodologies to analyze the data; and (c) application of ICME methodologies and other experiments to estimate the relevance of defects and microstructure to tensile properties.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2020

ICME and In-Situ Process Monitoring for Rapid Qualification of Components Made by Laser-based Powder Bed Additive Manufacturing Processes for Nuclear Structural Applications

Additive manufacturing (AM) through selective powder bed melting of successive layers is being considered as disruptive technology for rapid production of low-cost nuclear reactor internal components with complex geometries. However, there is a potential for non-uniform distribution of physical features, such as porosity or microstructural differences, due to variations of temperature across a component build. These heterogeneities make the deployment of traditional material qualification and non-destructive evaluation of AM components difficult. This research project explored the feasibility of using in-situ process monitoring methods and integrated computational materials engineering (ICME) principles as an alternate qualification methodology and approach. This project included six individual tasks: (i) design of artifacts relevant to the nuclear power industry, (ii) evaluation of laser processing and in-situ measurements, (iii) computational modeling, (iv) ex-situ microstructural characterization, (v) evaluation of scaling the methodology for large-scale structures, and (vi) development of a data package to codes and standards organizations. As a part of this research, laser powder bed fusion of metals (316L, Alloy 718, and Ti6Al4V) was explored. This document provides an overview of the research performed over three years and serves as the final U.S. Department of Energy report for this project. In the third year, the project focused on the following activities: (a) in-situ infrared and optical imaging of each layer during processing of representative stainless steel geometries; (b) development of methodologies to analyze the data; and (c) application of ICME methodologies and other experiments to estimate the relevance of defects and microstructure to tensile properties.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2020

ICME and In-Situ Process Monitoring for Rapid Qualification of Components Made by Laser-based Powder Bed Additive Manufacturing Processes for Nuclear Structural Applications

Additive manufacturing (AM) through selective powder bed melting of successive layers is being considered as disruptive technology for rapid production of low-cost nuclear reactor internal components with complex geometries. However, there is a potential for non-uniform distribution of physical features, such as porosity or microstructural differences, due to variations of temperature across a component build. These heterogeneities make the deployment of traditional material qualification and non-destructive evaluation of AM components difficult. This research project explored the feasibility of using in-situ process monitoring methods and integrated computational materials engineering (ICME) principles as an alternate qualification methodology and approach. This project included six individual tasks: (i) design of artifacts relevant to the nuclear power industry, (ii) evaluation of laser processing and in-situ measurements, (iii) computational modeling, (iv) ex-situ microstructural characterization, (v) evaluation of scaling the methodology for large-scale structures, and (vi) development of a data package to codes and standards organizations. As a part of this research, laser powder bed fusion of metals (316L, Alloy 718, and Ti6Al4V) was explored. This document provides an overview of the research performed over three years and serves as the final U.S. Department of Energy report for this project. In the third year, the project focused on the following activities: (a) in-situ infrared and optical imaging of each layer during processing of representative stainless steel geometries; (b) development of methodologies to analyze the data; and (c) application of ICME methodologies and other experiments to estimate the relevance of defects and microstructure to tensile properties.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2020

ICME and In-Situ Process Monitoring for Rapid Qualification of Components Made by Laser-based Powder Bed Additive Manufacturing Processes for Nuclear Structural Applications

Additive manufacturing (AM) through selective powder bed melting of successive layers is being considered as disruptive technology for rapid production of low-cost nuclear reactor internal components with complex geometries. However, there is a potential for non-uniform distribution of physical features, such as porosity or microstructural differences, due to variations of temperature across a component build. These heterogenities make the deployment of traditional material qualification and non-destructive evaluation of AM components difficult. This research project explored the feasibility of using in-situ process monitoring methods and integrated computational materials engineering (ICME) principles as an alternate qualification methodology and approach. This project included six individual tasks: (i) design of artifacts relevant to the nuclear power industry, (ii) evaluation of laser processing and in-situ measurements, (iii) computational modeling, (iv) ex-situ microstructural characterization, (v) evaluation of scaling the methodology for large-scale structures, and (vi) development of a data package to codes and standards organizations. As a part of this research, laser powder bed fusion of metals (316L, Alloy 718, and Ti6Al4V) was explored. This document provides an overview of the research performed over three years and serves as the final U.S. Department of Energy report for this project. In the third year, the project focused on the following activities: (a) in-situ infrared and optical imaging of each layer during processing of representative stainless steel geometries; (b) development of methodologies to analyze the data; and (c) application of ICME methodologies and other experiments to estimate the relevance of defects and microstructure to tensile properties.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2020

ICME and In-Situ Process Monitoring for Rapid Qualification of Components Made by Laser-based Powder Bed Additive Manufacturing Processes for Nuclear Structural Applications

Additive manufacturing (AM) through selective powder bed melting of successive layers is being considered as disruptive technology for rapid production of low-cost nuclear reactor internal components with complex geometries. However, there is a potential for non-uniform distribution of physical features, such as porosity or microstructural differences, due to variations of temperature across a component build. These heterogenities make the deployment of traditional material qualification and non-destructive evaluation of AM components difficult. This research project explored the feasibility of using in-situ process monitoring methods and integrated computational materials engineering (ICME) principles as an alternate qualification methodology and approach. This project included six individual tasks: (i) design of artifacts relevant to the nuclear power industry, (ii) evaluation of laser processing and in-situ measurements, (iii) computational modeling, (iv) ex-situ microstructural characterization, (v) evaluation of scaling the methodology for large-scale structures, and (vi) development of a data package to codes and standards organizations. As a part of this research, laser powder bed fusion of metals (316L, Alloy 718, and Ti6Al4V) was explored. This document provides an overview of the research performed over three years and serves as the final U.S. Department of Energy report for this project. In the third year, the project focused on the following activities: (a) in-situ infrared and optical imaging of each layer during processing of representative stainless steel geometries; (b) development of methodologies to analyze the data; and (c) application of ICME methodologies and other experiments to estimate the relevance of defects and microstructure to tensile properties.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2021

Light Propagation Considerations For Internally Clad Sapphire Optical Fiber Using the 6Li(n,)3H Reaction

Optical frequency domain reflectometry measurements in internally clad single crystal sapphire fiber have received attention in recent years due to their high temperature distributed sensing potential. As work with these fibers has proceeded, there have been some inconsistencies in the results. Deeper investigation and testing has identified two critical considerations for the proper functioning of these fibers. First, users must address the propagation of multimode light along the outer surface of the fiber. Here, by observing the far-field image of an internally clad sapphire fiber when adding index matching fluid to the outer fiber surface, we demonstrate the effects of removing the higher order modes from these fibers. The addition of index matching fluid resulted in nearly single mode performance where multimode performance was previously observed. Second, users must address the effect that coupling the fiber to the interrogator via silica based fiber has on the internally clad sapphire fibers performance. Direct fusion splicing of silica to sapphire, as has been used in the recent work with these fibers, has a mode filtering effect which can be beneficial towards the modal behavior of the fibers. However, in this paper we demonstrate that the splicing can cause a sensing failure due to little or no low order mode light, that is useful for sensing, returning to the detector. The positive results from recent years have demonstrated that optical frequency domain reflectometry sensing performance will be successful in clad sapphire fiber; but only when the considerations described herein are addressed properly.

47 OTHER INSTRUMENTATION↗

DOE OSTI2022

Forecasting Distributed PV Adoption in Barranquilla, Colombia [Slides]

The objective of the dGen Colombia project is to provide projections to 2050 on distributed PV deployment by sector for a range of scenarios for Barranquilla, Colombia. NREL used the open-source Distributed Generation Market Demand Model (dGen) adapted for international projects for this analysis. As part of this analysis, technical potential, economic potential, and adoption projections of rooftop and groundmount PV for the city of Barranquilla are presented. Five main scenarios and their combinations were modeled to provide insight on the impact of increased demand from electric vehicles, air conditioning, and time-of-use tariffs.

14 SOLAR ENERGY↗

DOE OSTI2024

Understanding and Enhancing Silicon Nanoparticle Distribution during Electrode Processing

Silicon-dominant anodes are of great interest because of their potential to boost the cell-level energy of state-of-the-art Li-ion batteries. While silicon materials have been extensively studied, understanding interactions at the electrode level has recieved little attention, especially the coating process of Si particles, which plays an equally important role in unlocking the full potential of silicon anodes. Herein, the electrode processing of a Si-dominated anode (52.8 wt%, 3.5–4.5 mAh cm −2 ) is being investigated to understand the relationship of processing on the morphology and properties of Si anodes at the electrode level. It has been found that almost-undetectable Si agglomerates easily form during electrode processing, which grow into largeprotrusions after lithiation and trigger potential internal shorting and self-discharge problems. A facile slurry filtration step is proposed to homogenize the particle distribution within Si-dominant electrodes which improves the electrochemical performance and storage stability of Si-based Li ion batteries.

Wu, Bingbin↗

DOE OSTI2021

Deliverable D11 – Data Sharing, Storage, Security Protocols, and a Specification of a Potential Data Sharing Portal

Pacific Northwest National Laboratory (PNNL) and Technical University of Denmark (DTU) completed this deliverable as part of Work Package 2: Data Information Catalog for Distributed Wind Research for the International Energy Agency (IEA) Wind Technology Collaboration Programme Task 41: Enabling Wind to Contribute to a Distributed Energy Future. As part of the work plan, Deliverable D11 requires the development of data sharing, storage, and security protocols for metadata to be stored on the platform, if needed. The specification of a potential data sharing portal that expands on the catalog is also required.

17 WIND ENERGY↗

DOE OSTI2021

Binder Jet Printing of H13 Tool Steel

ORNL and Carpenter worked on evaluating H13 powders with different powder size distributions for deposition via binder jet additive manufacturing (AM). Binder jet AM has the potential to be a costeffective technique for fabrication of near net shaped tools with complex geometries and internal features such as cooling channels that can improve the production efficiency of injection/compression molding tools. However, a critical challenge in binder jet AM is the densification of the said tool for it to be usable. Powder size distribution can affect the process settings required to deposit the material and the subsequent sintering behavior. In this collaborative effort ORNL and Carpenter demonstrated that the process variables depend on the powder size distribution while the carbon pickup during sintering depends on the binder burnout atmosphere and temperature. On the other hand, there was no noticeable difference in the microstructural evolution of H13 deposited using the different powder size distributions.

42 ENGINEERING↗

DOE OSTI2020

EMP-Resilient Electric Grid Transformer Analysis

The response of a high - voltage (HV) transformer to fast rise time voltages, such as that from a electromagnetic pulse (EMP) can result in interruption of power distribution and possibly system failure. To help identify these potential occurrences, it is necessary to develop a transformer model that not only captures the input/output response of the transformer but also the internal behavior. The model constructed should cover the frequency band of interest while capturing the internal physical and electrical characteristics. This broad-band, high-fidelity model would enable the prediction of unwanted effects through simulation. A proposed modeling scheme for a HV transformer is described in Part 1 of this report. Part 2 of this report details assessments of internal voltage and electrical field holdoff testing of transformer insulation dielectric breakdown, including comparison of low frequency (DC/60 Hz) holdoff to rise times characteristic of lightning (1 s) and EMP E1 transients (10 - 30 ns). This initial project is a path toward establishing electrical grid transformer failure criteria for EMP voltage transients. We developed modeling methods and measured breakdown electrical field statistical distributions for direct current, 60 Hz, lightning and EMP characteristic voltage rise times. Methods of nanosecond-scale capacitive discharge unit high voltage source development, suggestions for derating of 60 Hz insulation maximum electrical fields for EMP nanosecond pulse voltage withstand rating, and potential methods for increasing transformer resilience to such fast rise time pulses are described.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2022

Step-by-step state-selective tracking of fragmentation dynamics of water dications by momentum imaging

Abstract The double photoionization of a molecule by one photon ejects two electrons and typically creates an unstable dication. Observing the subsequent fragmentation products in coincidence can reveal a surprisingly detailed picture of the dynamics. Determining the time evolution and quantum mechanical states involved leads to deeper understanding of molecular dynamics. Here in a combined experimental and theoretical study, we unambiguously separate the sequential breakup via D + + OD + intermediates, from other processes leading to the same D + + D + + O final products of double ionization of water by a single photon. Moreover, we experimentally identify, separate, and follow step by step, two pathways involving the b 1 Σ + and a 1 Δ electronic states of the intermediate OD + ion. Our classical trajectory calculations on the relevant potential energy surfaces reproduce well the measured data and, combined with the experiment, enable the determination of the internal energy and angular momentum distribution of the OD + intermediate.

74 ATOMIC AND MOLECULAR PHYSICS↗