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At least 91 records · Page 5

RF antenna helicity dependent particle heating in a helicon source

Experiments have demonstrated that ion phenomena, such as the lower hybrid resonance, play an important role in helicon source operation. Damping of the slow branch of the bounded whistler wave at the edge of a helicon source (i.e. the Trivelpiece-Gould mode) has been correlated with the creation of energetic electrons, heating of ions at the plasma edge, and anisotropic ion heating. Here we present ion velocity distribution function measurements, electron density and temperature measurements, and magnetic fluctuation measurements on both sides of an m = |1| helical antenna in a helicon source as a function of the driving frequency, magnetic field strength, and magnetic field orientation relative to the antenna helicity. Significant electron and ion heating (up to two times larger) occurs on the side of the antenna consistent with the launch of the m = +1 mode. The electron and ion heating occurs within one electron skin depth of the plasma edge, where slow wave damping is expected. The source parameters for enhanced particle heating are also consistent with lower hybrid resonance effects, which can only occur for Trivelpiece-Gould wave excitation.

wave modes↗

A Scalable Process for Upcycling Carbon Dioxide (CO 2 ) and Coal Combustion Residues into Construction Products

Anthropogenic sources of carbon dioxide are generated from a number of sources, but the key among these are ordinary Portland cement (OPC) production and combustion of fossil fuels. Cement production is the largest global CO 2 source from the mineral decomposition of carbonates. Combination of the limestone decomposition and thermal requirements of the clinkering process causes cement production to contribute 8-9% of annual global CO 2 emissions. Combustion of fossil fuels (coal, oil and gas) was shown to contribute a much larger portion of global CO 2 emissions. As of 2018, combustion of fossil fuels accounted for 65% of global CO 2 , where 41% was derived from stationary sources for electricity and heat generation and the other 24% was related to transport. To reduce these contributions, key steps forward in CO 2 utilization technologies are required. The purpose of this project is to demonstrate the feasibility of the Reversa process evolving from a TRL-3 technology at the bench-scale up to TRL-6 technology at the pilot-scale. The reliability of the Reversa technology was tested to prove the effective production of concrete masonry units (CMUs) at bench scale, where the units exceeded the required 13.8 MPa compressive strength requirements. The overall goal of this project was to accelerate the development of a CO 2 mineralization process that synergistically utilizes CO 2 in flue gas and coal combustion residues (CCRs) to synthesize carbonated concrete, a functional replacement for traditional concrete. The culmination of this work resulted in 12 successful production runs at the Integrated Test Center (ITC), Gillette, WY using coal flue gas as a CO 2 source. This was followed by 6 production runs which were completed at the National Carbon Capture Center (NCCC), Wilsonville, AL, using coal-fired and natural gas (NG) flue gas as the CO 2 source. Over the course of the production runs at NCCC and ITC, the CO 2 utilization as a function of time, 24-h CO 2 uptake, electricity usage, and 28-d net area compressive strength recorded for each run. The ITC and NCCC demonstrations achieved an average of 0.19 and 0.1 g CO 2 /g reactant, respectively. Both demonstrations exceeded the project’s target goals of uptake > 0.05 g CO 2 /g reactant. Average compressive strength of the ITC blocks was 18.24 MPa at 28-days. This exceeded the target strength of 13.8 MPa specified by ASTM C90. ITC and NCCC produced an average CO 2 utilization efficiency of 74.9 and 57.9%, respectively. Both demonstration averages were within the target range of 50 to 90% utilization efficiency. For some production runs the NCCC demo did exceeded the a CO 2 utilization efficiency of 75%. An LCA of the Reversa process compared to an industry standard product revealed a net CO 2 reduction of 39% to 42%. This exceeded the target requirement of >25% net CO 2 reduction. Collection of this data was used to determine that the project was successful as the demonstration goals were achieved: (1) achieving in excess of 75% CO 2 utilization efficiency, (2) utilizing greater than 250 kg of CO 2 per production batch/run, and (3) ensuring compliance of carbonated blocks with industry standard specifications (ASTM C90).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Investigating Particle Phase State Dependencies during a Historic Pacific Northwest Wildfire Event

The function and lifetime of an atmospheric particle are greatly dependent upon its phase state. Studying particle phase states from specific ambient source types is often challenging due to uncontrolled environmental conditions and multiple source contributions. However, a historic Pacific Northwest wildfire event occurred in September 2020, providing a rare opportunity to study a pseudo-single particle type ambient sample (i.e., wildfire) over time. Sampling was performed in Richland, Washington, capturing aged particles from shifting wildfire sources. In addition to source variability, temporal variation in wildfire particle phase state was observed from single particle analyses. Despite this, single particle elemental compositions were homogenous over time (=87% carbonaceous) with no significant temporal variation in organic functional group abundances within individual particles either (e.g., 4% relative standard deviation in alkene contributions). While particle composition is indeed known to affect phase state, water uptake appeared to be the most significant contributor to phase state variability amongst single particles here, as particle aspect ratios (related to phase state) linearly correlated with ambient relative humidity during sampling (R2 = 0.65). Therefore, while limited to a case study, meteorological considerations are found to convey greater comparative importance than particle composition for aged particle phase state predictions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effect of dielectric target properties on plasma surface ionization wave propagation

Surface ionization waves (SIWs) propagating along dielectric covered, grounded surfaces have been studied for various dielectric bulk and surface conditions; a dependence on the propagation velocity with respect to dielectric electrical thickness and near surface permittivity profiles are observed. SIWs generated by an atmospheric pressure plasma source are imaged interacting with planar dielectric surface. Surface wave velocity is obtained by tracking emission intensity as a function of time. Target dielectric thickness is varied from $d = 0.15-10$ mm and dielectric constant is varied from $\epsilon_r = 6.21 - 9.4$. The propagation of SIWs can be generally predicted by relating their velocity to the RC time constant of the circuit generated between the plasma and the dielectric surface, but it is found that this approximation breaks down for dielectric substrates of sufficient thickness and wave velocity becomes constant. The results show that wave velocity is stable and predictable for target thicknesses beyond a certain point determined by the permittivity of the target material. It is also shown that SIW propagation is strongly driven by the dielectric material near to the surface of the target in addition to the bulk material. The possible mechanisms driving these thickness dependent behaviors is discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NRAP Toolkit Screening for CarbonSAFE Illinois - Macon County

In this report we take stratigraphic data from the ISGS-led Macon County Phase 2 CarbonSAFE’s proposed site in Christian County, Illinois, and conduct reservoir simulations to generate pressure and CO 2 saturation plume data as a function of time. We then use this plume data along with the stratigraphic data as inputs to the NRAP Open-source Integrated Assessment Model (NRAP-Open-IAM) to evaluate project risks. For this report we focus on the probabilistic risk associated with hypothetical leakage of CO 2 and brine along the injection well and one monitoring well. We also study the resulting impact to two overlying aquifers, which could be used to inform monitoring technology selection.

54 ENVIRONMENTAL SCIENCES↗

Electronic angle focusing for neutron time-of-flight powder diffractometers

A neutron time-of-flight (TOF) powder diffractometer with a continuous wide-angle array of detectors can be electronically focused to make a single pseudo-constant wavelength diffraction pattern, thus facilitating angle-dependent intensity corrections. The resulting powder diffraction peak profiles are affected by the neutron source emission profile and resemble the function currently used for TOF diffraction.

electronic focusing↗

High‐Temperature Single‐Photon Emission From Covalently Functionalized van der Waals Heterostructures

Two-dimensional (2D) transition metal dichalcogenides (TMDs) such as tungsten diselenide (WSe 2 ) are attractive nanomaterials for quantum information applications due to single-photon emission (SPE) from intrinsic atomic defects. Defect and strain engineering techniques have been developed to produce high purity, deterministically placed SPE in WSe 2 . However, a major challenge in the application of these techniques is the low temperature required to observe defect-bound TMD exciton emission, typically limiting SPE to T < 30 K. SPE at higher temperatures either loses purity or requires integration into complex devices such as optical cavities. Here, 2D heterostructure engineering and molecular functionalization are combined to achieve high purity (>90%) SPE in strained WSe 2 persisting to over T = 90 K. Covalent diazonium functionalization of graphite in layered WSe 2 /graphite heterostructures maintains high purity up to T = 90 K and single-photon source integrity up to T = 115 K. This method preserves the best qualities of SPE from WSe 2 while increasing working temperature to more than three times the typical range. This work demonstrates the versatility of surface functionalization and heterostructure design to synergistically improve the properties of quantum emission and offers new insights into the phenomenon of SPE from 2D materials.

2D materials↗

A stress-induced source of phonon bursts and quasiparticle poisoning

Abstract The performance of superconducting qubits is degraded by a poorly characterized set of energy sources breaking the Cooper pairs responsible for superconductivity, creating a condition often called “quasiparticle poisoning”. Both superconducting qubits and low threshold dark matter calorimeters have observed excess bursts of quasiparticles or phonons that decrease in rate with time. Here, we show that a silicon crystal glued to its holder exhibits a rate of low-energy phonon events that is more than two orders of magnitude larger than in a functionally identical crystal suspended from its holder in a low-stress state. The excess phonon event rate in the glued crystal decreases with time since cooldown, consistent with a source of phonon bursts which contributes to quasiparticle poisoning in quantum circuits and the low-energy events observed in cryogenic calorimeters. We argue that relaxation of thermally induced stress between the glue and crystal is the source of these events.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Automated Integration of Continental-Scale Observations in Near-Real Time for Simulation and Analysis of Biosphere–Atmosphere Interactions

The National Ecological Observatory Network (NEON) is a continental-scale observatory with sites across the US collecting standardized ecological observations that will operate for multiple decades. To maximize the utility of NEON data, we envision edge computing systems that gather, calibrate, aggregate, and ingest measurements in an integrated fashion. Edge systems will employ machine learning methods to cross-calibrate, gap-fill and provision data in near-real time to the NEON Data Portal and to High Performance Computing (HPC) systems, running ensembles of Earth system models (ESMs) that assimilate the data. For the first time gridded EC data products and response functions promise to offset pervasive observational biases through evaluating, benchmarking, optimizing parameters, and training new machine learning parameterizations within ESMs all at the same model-grid scale. Leveraging open-source software for EC data analysis, we are already building software infrastructure for integration of near-real time data streams into the International Land Model Benchmarking (ILAMB) package for use by the wider research community. We will present a perspective on the design and integration of end-to-end infrastructure for data acquisition, edge computing, HPC simulation, analysis, and validation, where Artificial Intelligence (AI) approaches are used throughout the distributed workflow to improve accuracy and computational performance.

Durden, David J.↗

Nonparametric, data-based kernel interpolation for particle-tracking simulations and kernel density estimation

Traditional interpolation techniques for particle tracking include binning and convolutional formulas that use pre-determined (i.e., closed-form, parameteric) kernels. In many instances, the particles are introduced as point sources in time and space, so the cloud of particles (either in space or time) is a discrete representation of the Green’s function of an underlying PDE. As such, each particle is a sample from the Green’s function; therefore, each particle should be distributed according to the Green’s function. In short, the kernel of a convolutional interpolation of the particle sample “cloud” should be a replica of the cloud itself. This idea gives rise to an iterative method by which the form of the kernel may be discerned in the process of interpolating the Green’s function. When the Green’s function is a density, this method is broadly applicable to interpolating a kernel density estimate based on random data drawn from a single distribution. We formulate and construct the algorithm and demonstrate its ability to perform kernel density estimation of skewed and/or heavy-tailed data including breakthrough curves.

42 ENGINEERING↗

Open Source Visualization and Analysis Platform for 3D Reconstructions of Materials by Transmission Electron Microscopy

Three-dimensional characterization of materials at the nano- and meso-scale has become possible with transmission and scanning transmission electron microscopes (S/TEM). Its importance has extended to a wide class of nanomaterials such as hydrogen fuel cells, solar cells, industrial catalysts, new battery materials and semiconductor devices, as well as spanning high-tech industry, universities, and national labs. While capable instrumentation is abundant, this rapidly expanding demand for high-resolution tomography is bottlenecked by software that is instead tailored for lower-dose, biological applications and not optimized for higher-resolution materials applications. Existing tomography fails to utilize the chemical information provided by S/TEM spectrometers. To address this problem, this project delivered a scalable, fully functional, freely-distributable, open Source materials tomography package with a modern user interface that enables automated acquisition, alignment, and real-time reconstruction of raw tomography data, and provides advanced segmentation, three-dimensional chemical visualization and analysis optimized for materials applications. It has established an extendable framework capable of automation for high-throughput for the tomography of materials from data acquisition to visualization. Phase I and II delivered a full-featured, cross-platform, clean and integrated application for S/TEM materials tomography. It can read projection data from the microscope, with graphical tools for alignment of data, tomographic reconstruction, segmentation, and visualization of the reconstructed 3D volume. The entire pipeline can be saved to an XML state file, enabling fully reproducible data processing and analysis with a full Python environment for the development of custom algorithms, processing, and analysis requirements. Phase IIB extended the application to provide real-time tomographic reconstruction, "live updates" as data is processed, analysis of big data, and multi-channel tomography. Here, quantitative assessment of nanomaterials can occur as data is being recorded on a 3D visualization platform that accommodates additional information from multiple channels. We provide unmatched high-throughput tomography, where the complete tomographic pipeline from measurement to 3D visualization can occur rapidly. The project was extended to offer capabilities for micro-CT, X-ray, neutron, focused ion beam, atomic electron tomography and atom probe tomography. With over 600 transmission electron microscopes worldwide and approximately 50 coming online each year, the demand and impact of an open-source tomography tool is large. Significant opportunities exist in high-tech industry, universities, and national labs to enable or enhance three-dimensional imaging at the nanoscale and bring automated high-throughput approaches that will accelerate progress in materials characterization and metrology. The project supports a service based business model by enabling lab-specific acquisition and processing customization and integration-support and development that will be provided into Phase III and beyond.

36 MATERIALS SCIENCE↗

A Variable Eddington Factor Model for Thermal Radiative Transfer with Closure Based on Data-Driven Shape Function

Here, a new variable Eddington factor (VEF) model is presented for nonlinear problems of thermal radiative transfer (TRT). The VEF model is data-driven and acts on known (a-priori) radiation-diffusion solutions for material temperatures in the TRT problem. A linear auxiliary problem is constructed for the radiative transfer equation (RTE) whose emission source and opacities are evaluated at these known material temperatures. The solution to this RTE approximates the specific intensity distribution in phase-space and time. It is applied as a shape function to define the Eddington tensor for the presented VEF model. The shape function computed via the auxiliary RTE problem will capture some degree of transport effects within the TRT problem. The VEF moment equations closed with this approximate Eddington tensor will thus carry with them these captured transport effects. In this study, the temperature data comes from multigroup P 1 , P 1/3 , and flux-limited diffusion radiative transfer models. The proposed VEF model can be interpreted as a transport-corrected diffusion reduced-order model. Numerical results are presented on the Fleck-Cummings test problem which models a supersonic wavefront of radiation. The VEF model is shown to improve accuracy by 1–2 orders of magnitude compared to the considered radiation-diffusion model solutions to the TRT problem.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Hybrid Natural Gas Geothermal Combined Cycle Power Plant Analysis

Low temperature geothermal resources, including those associated with oil and gas production, are an underutilized source of low carbon energy. The present work investigates coupling of low-temperature geothermal resources with concentrating solar and/or natural gas energy sources to increase the number of locations at which power generation from low temperature geothermal resources would be technically and economically viable. Stand-alone and hybrid geothermal power cycles are simulated using SimTech IPSEpro process modeling software. Design point strategies for a hybrid power cycle that may operate with either a single heat source or two simultaneous heat input sources are considered. Additionally, off-design power plant operation is investigated to consider the impacts of the heat source availability and ambient temperature variations. The off-design analysis utilizes a modeling tool that predicts power plant performance at each time step as a function of topping cycle heat input (from gas or solar), bottoming cycle heat input (from geothermal), and ambient temperature. Addition of a steam topping cycle to an organic Rankine cycle geothermal power plant provides opportunities to increase the efficiency and power output relative to a stand-alone geothermal power plant. Additionally, use of the waste heat from gas turbine power generation in a geothermal bottoming cycle provides opportunities to increase the amount of power generation associated with each unit of carbon dioxide emitted. This paper will describe the hybrid plant configuration evaluated, discuss the predicted power cycle performance, and compare with stand-alone natural gas and geothermal power generation cases. The power cycle investigated is expected to be applicable for use with conventional hydrothermal resources as well as with geologic thermal energy storage applications and/or enhanced geothermal systems. The steam topping cycle could use a concentrated solar heat source for fully renewable hybrid plant configuration. A plant initially constructed with a natural gas topping cycle heat source could be converted to a solar heat source part way though the power cycle operational life to achieve life cycle carbon emission reductions.

concentrating solar power↗

Creation of an Fe 3 P Schreibersite Density Functional Tight Binding Model for Astrobiological Simulations

The mineral schreibersite, e.g., Fe 3 P, is commonly found in iron-rich meteorites and could have served as an abiotic phosphorus source for prebiotic chemistry. However, atomistic calculations of its degradation chemistry generally require quantum simulation approaches, which can be too computationally cumbersome to study sufficient time and length scales for this process. In this regard, we have created a computationally efficient semiempirical quantum density functional tight binding (DFTB) model for iron and phosphorus-containing materials by adopting an existing semiautomated workflow that represents many-body interactions by linear combinations of Chebyshev polynomials. Here, we have utilized a relatively small training set to optimize a DFTB model that is accurate for schreibersite physical and chemical properties, including its bulk properties, surface energies, and water absorption. We then show that our model shows strong transferability to several iron phosphide solids as well as multiple allotropes of iron metal. Our resulting DFTB parametrization will allow us to interrogate schreibersite aqueous decomposition at longer time and length scales than standard quantum approaches, providing for more detailed investigations of its role in prebiotic chemistry on early Earth.

36 MATERIALS SCIENCE↗

Orbit-modulated transport and sources in time-dependent plasmas

The orbit-modulation framework for steady-state ion-orbit boundary fluxes is reformulated to apply to time-dependent plasmas. The new formulation can quantify the extent to which orbit fluxes are affected by the time dependence of the distribution function, and may be applied both to time-dependent physical scenarios and to computationally expensive simulations that are unable to reach a true steady state. As the system tends to a time-independent state, the orbit-loss fluxes approach their steady-state values, which are determined entirely by upstream transport (turbulent and collisional) and upstream sources and sinks. This result holds for the fluxes of any moments that are expressible in terms of the invariants that determine the orbits, including parallel toroidal angular momentum.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Anisotropic neutron response of trans-stilbene and impact on a handheld dual particle imager

Here this manuscript details measurements of the anisotropic light-output response of trans-stilbene, henceforth referred to as stilbene, along the three primary crystal planes and analyzes how this anisotropic response impacts neutron image reconstruction in a handheld dual particle imager (H2DPI). A prototype H2DPI composed of stilbene pillars (6 x 6 x 50 mm 3 ) coupled to silicon photomultipliers was built and is capable of imaging both fast neutrons and gamma rays from kilogram quantities of special nuclear material. Stilbene was chosen as the scintillating medium for the imager because of its pulse shape discrimination capability, time resolution and relatively high light output. A drawback to using stilbene, however, is the anisotropic response. A recoiling proton from a neutron elastic-scattering event in stilbene will yield different amounts of scintillation light depending on the direction of the recoiling proton with respect to the crystal lattice. This manuscript analyzes how this anisotropic response impacts neutron image reconstruction in 4π. The light output in the three primary crystal planes of stilbene were independently measured 6–7 times for proton recoil energies ranging from 0.5–5.0 MeV using a quasi-monoenergetic time-of-flight neutron source. The measured light-output data in the three crystal planes were fit with a semi-empirical function based on Birks’ formula. These fits were used to reconstruct the location of a 252 Cf source in front of the imager (0°, -0.8°), to the left of the imager (-90°, -0.8°) and directly above the imager (0°, 90°) to determine if it is necessary to apply the directionally-dependent response of stilbene to accurately reconstruct source locations. A bootstrapping technique was applied to the measured data sets to produce 1000 images composed of 2000 cone projections for each source location and each measured light-output curve. List-mode maximum likelihood expectation maximization was applied to each image; the highest pixel location and the full width at half maximum (FWHM) were then recorded. The average and standard deviations of these parameters were taken for each set of images. The maximum difference in the average azimuthal pixel location when varying between the appropriate and incorrect light-output curves for the source locations at (0°, -0.8°) and (-90°, -0.8°) were respectively found to be 1.85 ± 1.39° and 2.03 ± 1.78°. All other pixel locations and FWHMs were within a single standard deviation of uncertainty. Taken together, the anisotropic response of stilbene has negligible impact on the neutron image reconstruction capability of the H2DPI.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Operando Infrared Nanospectroscopy of the Silicon/Electrolyte Interface during Initial Stages of Solid-Electrolyte-Interphase Layer Formation

The solid electrolyte interphase (SEI) is a critical component in Li-ion batteries; however, its nanoscale structure and composition and unstable nature make it difficult to characterize and ascertain primary functional mechanisms. We use operando nanoscale Fourier transform infrared spectroscopy (nano-FTIR) with a broadband synchrotron IR source to study the SEI formation on a thin-film Si electrode at nanometer-scale spatial resolution as a function of time and voltage. By probing the Si/carbonate electrolyte interface through a 25 nm-thick amorphous Si window/electrode, we detect molecular vibrational modes within a 10s of nanometers region adjacent to the Si surface and observe that PF6 – anions react to form LiF at 0.5 V. Spatially resolved nano-FTIR spectra showcase subtle nanoscale heterogeneities in the initial solid/liquid interface and the resulting deposited LiF. With its nanoscale resolution and high chemical specificity, operando nano-FTIR provides unique insights into the dynamics and heterogeneous formation of SEIs and opens opportunities for connecting nanoscale interfacial properties to bulk performance metrics.

Dopilka, Andrew↗

A robust statistical analysis of the role of hydropower on the system electricity price and price volatility

Abstract Hydroelectric power (hydropower) is unique in that it can function as both a conventional source of electricity and as backup storage (pumped hydroelectric storage and large reservoir storage) for providing energy in times of high demand on the grid (S. Rehman, L M Al-Hadhrami, and M M Alam), (2015 Renewable and Sustainable Energy Reviews , 44 , 586–98). This study examines the impact of hydropower on system electricity price and price volatility in the region served by the New England Independent System Operator (ISONE) from 2014-2020 (ISONE, ISO New England Web Services API v1.1 .” https://webservices.iso-ne.com/docs/v1.1/ , 2021. Accessed: 2021-01-10). We perform a robust holistic analysis of the mean and quantile effects, as well as the marginal contributing effects of hydropower in the presence of solar and wind resources. First, the price data is adjusted for deterministic temporal trends, correcting for seasonal, weekend, and diurnal effects that may obscure actual representative trends in the data. Using multiple linear regression and quantile regression, we observe that hydropower contributes to a reduction in the system electricity price and price volatility. While hydropower has a weak impact on decreasing price and volatility at the mean, it has greater impact at extreme quantiles (>70th percentile). At these higher percentiles, we find that hydropower provides a stabilizing effect on price volatility in the presence of volatile resources such as wind. We conclude with a discussion of the observed relationship between hydropower and system electricity price and volatility.

13 HYDRO ENERGY↗