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At least 271 records · Page 15

Techno-economic optimization of renewable urea production for sustainable agriculture and CO 2 utilization

Abstract Urea is the most used nitrogen fertilizer due to its ease of storage, transportation, and application. It is made by combining ammonia and carbon dioxide (CO 2 ), both of which are produced predominantly from fossil fuels at present. The recent momentum behind ammonia production using renewable-powered electrolysis offers an opportunity to both make urea in a more sustainable way and utilize CO 2 from external sources. In this work, we present a techno-economic optimization model to minimize the cost of making urea in this way. The model allows for time-varying chemical production in response to renewable variability by simultaneously optimizing production facility design and hourly operation. We performed a case study for Minnesota considering the use of byproduct CO 2 from bioethanol production. We found that the present-day levelized cost of renewable urea is between $268 mt −1 and $413 mt −1 at likely implementable production scales up to 250 000 mt yr −1 . This is within the range of historical conventional urea prices while offering at least 78% carbon intensity reduction. Projecting to 2030, there is a clear economic case for renewable urea production with levelized cost as low as $135 mt −1 due to technology improvement and electrolysis manufacturing expansion, facilitating a urea production scale increase to 525 000 mt yr −1 . Optimal facilities use wind energy, with hydrogen and ammonia production operating in a flexible, time-varying way to minimize battery and hydrogen storage capacities. Urea production operates near steady state due to the relatively low cost of intermediate ammonia buffer storage. A mix of imported methane and locally produced hydrogen are used to provide heat for steam consumed in the urea synthesis.

Chemistry↗

Study of deeply virtual Compton scattering at the future electron-ion collider

This study presents the impact of future measurements of deeply virtual Compton scattering (DVCS) with the ePIC detector at the electron-ion collider (EIC), currently under construction at Brookhaven National Laboratory. The considered process is sensitive to generalized parton distributions (GPDs), the understanding of which is a cornerstone of the EIC physics program. Our study marks a milestone in the preparation of DVCS measurements at EIC and provides a reference point for future analyses. In addition to presenting distributions of basic kinematic variables obtained with the latest ePIC design and simulation software, we examine the impact of future measurements on the understanding of nucleon tomography and DVCS Compton form factors, which are directly linked to GPDs. We also assess the impact of radiative corrections and background contribution arising from exclusive π 0 production.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Deep Reinforcement Learning Based Volt-VAR Optimization in Smart Distribution Systems

This paper develops a model-free volt-VAR optimization (VVO) algorithm via multi-agent deep reinforcement learning (DRL) in unbalanced distribution systems. This method is novel since we cast the VVO problem in distribution networks to an intelligent deep Q-network (DQN) framework, which avoids solving a specific optimization model directly when facing time-varying operating conditions in the systems. We consider statuses/ratios of switchable capacitors, voltage regulators, and smart inverters installed at distributed generators as the action variables of the agents. A delicately designed reward function guides these agents to interact with the distribution system, in the direction of reinforcing voltage regulation and power loss reduction simultaneously. The forward-backward sweep method for radial three-phase distribution systems provides accurate power flow results within a few iterations to the DRL environment. The proposed method realizes the dual goals for VVO. We test this algorithm on the unbalanced IEEE 13-bus and 123-bus systems. Numerical simulations validate the excellent performance of this method in voltage regulation and power loss reduction.

41 EE - Solar Energy Technologies Office (EE-4S)↗

Utah FORGE: Phase 3 Ground Water Level Monitoring Data

Groundwater data around the Utah FORGE site has been collected to determine the piezometric levels and compositional variability. Field measurements in 2020 are designed to obtain and survey new groundwater wells that have been drilled on the distal periphery of the Utah FORGE project area. The spreadsheet included in this submission contains ground water level data from the Utah FORGE site as monitored from wells WOW-2 and WOW-3. The well locations are also provided as UTM, Zone 12, NAD83 coordinates.

15 GEOTHERMAL ENERGY↗

Scalable Techniques for Stochastic Power Flow Problems (Final Report)

The proposed research focuses on developing scalable algorithms for two-stage security-constrained OPF problems with AC power flow constraints, a class of problems complicated by (i) scale arising from a scenario representation; and (ii) the presence of nonlinearity, nonconvexity, and possibly second-stage discreteness or complementarity. Unfortunately, most existing solvers cannot contend with both challenges simultaneously; accordingly, the proposed research focuses on developing solution techniques that can both scale with the number of scenarios and contend with nonconvexity and second-stage complementarity. We consider three avenues for addressing such problems: (i) Variable sample-size SQP (VS-SQP) methods that combine sparse Quasi-Newton updates with a scalable variance-reduced stochastic gradient scheme for stochastic QP subproblems, allowing for contending with second-stage complementarity via regularization; (ii) Variable sample-size stochastic Interior-point (VS-sIP) schemes that propose a sampling-based regularized (to allow for contending with complementarity) interior-point schemes in which a Schur-complement technique is employed for decomposing the Newton direction computation step; (iii) Variable sample-size tractable ADMM (VS-tADMM) schemes combine variable sample-sizes with carefully designed techniques for resolving each of the nonconvex updates (by leveraging the QCQP structures). We intend to compare the three schemes using performance profiles in terms of solution quality, scalability, etc. and then select one scheme which will then be developed and further refined in Python for purposes of the GO competition.

42 ENGINEERING↗

Coal-based Bricks & Blocks (CBBs): Process Development to Prototype Fabrication Coupled with Techno-Economic Analysis and Market Survey

The decline of coal use for energy production provides an abundance of local feedstock for new innovative uses and value-added products. Expanding the U.S. coal-value chain to manufacture high-value carbon products can strengthen the nation’s energy and mineral security, enhance the U.S. national defense security, increase the United States’ economic prosperity, while achieving U.S. environmental objectives. The primary project goal is a relatively light-weight composite product with superior (or comparable) compressive strength. Both virgin and, where available, post-consumer recycled thermoplastic versions are tested for each thermoplastic species. A useful attribute of thermoplastics as binders is that they can be heated to their melting point, cooled, and reheated again without significant degradation. A key advantage of thermoset CBBs is that they require only mixing and molding. CBB advantages include low cost, availability, binding ability and processability. Coal-based bricks and blocks (CBBs) weigh about 50% less than clay bricks and can be manufactured with an interlocking design to promote ease of use for the novice builder. CBB formulation is evaluated according to a design-of-experiments (DoE) approach. DoE variables are a) relative weight fractions of binder, b) relative proportions of large versus small (milled) anthracite size fractions, and c) additive percentage. Fabrication methods include hot-press molding and extrusion, the later being the most commercially viable. CBBs are tested for compressive strength, modulus of rupture (by flexure test) and water absorption per ASTM C67, with density determined by the Archimedes drainage method. Fractured interfaces are examined by SEM (Scanning Electron Microscopy) to resolve fracture dynamics and interior microstructure uniformity. Differential scanning calorimetry (DSC) is used to compare plastic transition temperatures i.e., glass and melting temperatures to contrast virgin with post-consumer recycled thermoplastics and optimize their usage. These results are used in the DoE analysis to identify the binder and relative weight percentages for optimum strength, density, and porosity. Overall, CBBs possess strength comparable to clay-based bricks but are non-permeable and hydrophobic, and hence resistant to degradation by freeze-fracturing, corrosion, and efflorescence. The strongest composites have been made with the following thermoplastic binders (in order of strength): thermoset, high-density polyethylene crosslink resin, high-density polyethylene, nylon 6/6, and polypropylene. Results from a techno-economic analysis TEA show economy of scale for CBBs by modularization and reveal the binder as the cost driver for material costs. Ideally, the incorporation of post-consumer recycled thermoplastic will decrease material acquisition costs and increase product sustainability. Notably, CBBs do not require the high temperature calcination needed to produce cement, nor do they require firing in the 1600-2400 °F range for three days using natural gas, as do clay brick equivalents. Instead, CBBs are heated to a modest <600 °F according to the melt flow index of the thermoplastic binder. Existing anthracite mines can be expanded to produce CBBs to reduce aggregate transportation costs and emissions that exist for clay bricks. TEA reflects this reduced energy cost while a comparative CO2 emission analysis quantifies the reduced environmental footprint. The market survey identifies several commercialization opportunities, dependent upon the brick classification.

01 COAL, LIGNITE, AND PEAT↗

Surface and Buried Thermal, and RGB Unexploded Ordnance Data Collection

This document provides a description of a data collection campaign of unexploded ordnance (UXOI) set. The dataset captures a controlled UAV imaging campaign designed to support detection of UXO across varied environmental conditions. Data were collected during three campaigns in Norris and Northeast Knoxville, Tennessee, using RGB, and thermal sensors mounted on Parrot UKR. In total, the dataset contains 9925 images, 26 full-motion video, and approximately 81.99 GB of data, collected across late spring/summer conditions, every hour during sunlight, and multiple surface contexts, including tall grass, short grass, gravel, as well as buried in sand, and other gravel mixtures. The collection was designed to capture thermal and visual variability relevant to UXO detection in agricultural land, bare earth, and subsurface. Review of the imagery showed that ordnance was most detectable during periods of changing solar input, especially approximately 10-60 minutes after sunrise, approximately 20-60 minutes after sunset, and 2-3 min after cloud cover interrupted prolonged solar heating. These conditions increased thermal contrast because many ordnance items retained or released heat differently than the surrounding vegetation and ground surface. This dataset provides a useful resource for developing and evaluating airborne UXO detection methods under realistic field conditions. All ordnance used in the study was inert, and thermal behavior may differ from that of live ordnance. In addition, variation in ordnance type, composition, and placement introduced differences in thermal response that should be considered when interpreting results.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

A Tunable Resolution Grating Monochromator and the Quest for Transform Limited Pulses

A variable resolution, transform limited monochromator is designed for the Free Electron Laser (FEL) source of LCLS. It provides monochromatic beam in the 250–1500 eV range, delivering the beam on the second floor of the LCLS experimental Hall. One major requirement for this monochromator is to provide, as close as possible, monochromatic transform limited pulses for time-resolved experiments. The theory and the limit of using classical diffraction scheme to monochromatize Soft X-ray beam, while preserving the pulse length, will be presented, together with the optical scheme of this versatile monochromator design.

47 OTHER INSTRUMENTATION↗

Validation of turbulence intensity as simulated by the Weather Research and Forecasting model off the US northeast coast

We report turbulence intensity (TI) is often used to quantify the strength of turbulence in wind energy applications and serves as the basis of standards in wind turbine design. Thus, accurately characterizing the spatiotemporal variability in TI should lead to improved predictions of power production. Nevertheless, turbulence measurements over the ocean are far less prevalent than over land due to challenges in instrumental deployment, maintenance, and operation. Atmospheric models such as mesoscale (weather prediction) and large-eddy simulation (LES) models are commonly used in the wind energy industry to assess the spatial variability of a given site. However, the TI derivation from atmospheric models has not been well examined. An algorithm is proposed in this study to realize online calculation of TI in the Weather Research and Forecasting (WRF) model. Simulated TI is divided into two components depending on scale, including sub-grid (parameterized based on turbulence kinetic energy (TKE)) and grid resolved. The sensitivity of sea surface temperature (SST) on simulated TI is also tested. An assessment is performed by using observations collected during a field campaign conducted from February to June 2020 near the Woods Hole Oceanographic Institution Martha's Vineyard Coastal Observatory. Results show that while simulated TKE is generally smaller than the lidar-observed value, wind speed bias is usually small. Overall, this leads to a slight underestimation in sub-grid-scale estimated TI. Improved SST representation subsequently reduces model biases in atmospheric stability as well as wind speed and sub-grid TI near the hub height. Large TI events in conjunction with mesoscale weather systems observed during the studied period pose a challenge to accurately estimating TI from models. Due to notable uncertainty in accurately simulating those events, this suggests summing up sub-grid and resolved TI may not be an ideal solution. Efforts in further improving skills in simulating mesoscale flow and cloud systems are necessary as the next steps.

17 WIND ENERGY↗

Simulation and Development of the Radial Time Projection Chamber For the Bonus12 Experiment in CLAS12

Knowledge of the structure of nucleons (i.e. protons and neutrons) is a central topic of interest to nuclear/particle physicists. Much more is known about the structure of the proton than the neutron due to the lack of high-density free neutron targets. The Barely Off-shell Nucleon Structure experiment (BONuS12) at Jefferson Lab (JLab) is a second generation experiment upgraded/optimized to advance our knowledge of the neutron's structure using the deep-inelastic scattering of electrons off deuterium. Typically, since deuterium is a nuclear target, corrections for off-shell and nuclear binding effects must be taken into account in order to extract results on the neutron. These corrections are model-dependent and therefore have limited our success in extracting neutron information using deuterium targets. In the BONuS12 experiment, 10.6 GeV electrons are scattered off of a deuterium target. By detecting the low momentum spectator proton at backward angles, the uncertainty due to final state interactions is minimized. The goal of the experiment is to measure the ratio of the neutron to proton structure functions ($F^n_2/F^p_2$) as the Bjroken scaling variable x approaches 1. The newly designed Radial Time Projection Chamber (RTPC) for BONuS12 detects the spectator proton in coincidence with the scattered electron, which is detected in the CEBAF Large Acceptance Spectrometer (CLAS12). This work presents the simulation and development of the new BONuS12 RTPC. The design, construction, and testing of the Drift-gas Monitoring Sysytem (DMS) for the BONuS12 experiment is also described. The results of the DMS operation as well as the first preliminary data from the BONuS12 experimental run are given. Because the BONuS12 data analysis depends on CLAS12 working effectively, an effort to verify the CLAS12 operation with the extraction of the inclusive deep inelastic cross section from the first experiment in CLAS12 (Run Group A) will be presented.

Dzbenski, Nathan↗

Biomass Feedstock National User Facility--Improving Bale Deconstruction and Material Flow

The project aims to reduce feedstock variability using a quality-by-design approach beginning when the biomass is introduced to the process and will continue through the size reduction process, which will yield the results of fine generation reduction, contaminant removal, control of the physical and chemical critical material attributes in the process, and management of the flowability.

09 BIOMASS FUELS↗

Utilizing Additive Manufacturing to Create Prototype and Functional Beamline Instrumentation and Support Components

The world of beamline science is often fast-paced and dynamic. One of the major challenges in this environment is to be able to design, manufacture and then implement new items for use on the beamlines in a fast and accurate manner. Many times, this involves iterating the design to address unknown or new variables which were not pre- sent at the beginning of the project planning task. Through the use of additive manufacturing, I have been able to support the user programs of various (APS) Ad- vanced Photon Source beamlines* across multiple scien- tific disciplines. I will provide a few detailed examples of Items that were created for specific beamline applications and discuss what benefits they provided to the pertinent project. I will also talk about why choosing consumer- level printer options to produce the parts has been the direction I went and the pros and cons of this decision. Pri marily, this choice allowed for quicker turnaround times and the ability to make more frequent changes in an efficient manner. Currently, we are utilizing only the fused deposition modelling (FDM) type printers but I am exploring the addition of UV-activated resin printing, exotic materials that can be utilized using the current toolset, and the possibility of commercial metal printing systems. This technology has been a game-changer for the implementation of new support items and instrumentation over the last couple of years for the different disciplines I am sup- porting. I will discuss how the roadmap ahead and what the evolving technologies could potentially allow us to do.

Jensen, D.↗

Physical Security Timeline Analysis in Support of Advanced Reactor Demonstration and Deployment

This report presents the regulatory requirements and directions on the physical security of advanced nuclear reactors in USA. Presently, a rule is being proposed that allows for a performance-based analysis. In determining the physical security requirements for an advanced reactor, new tools may be desired to conduct a performance-based analysis. These tools should incorporate dynamic analysis methods to provide as much realism as possible. In comparison, the security requirements for existing light water reactors (LWRs) are much more prescriptive and the analysis conducted to establish the required physical security strategies were more easily performed with static analysis. In order to achieve the cost goals that advanced reactors require for adoption; the nuclear security force required should not be excessive. Dynamic physical security analysis methods and tools have been developed by the US Department of Energy (DOE) Light Water Reactor Sustainability (LWRS) program. This report details how the dynamic risk analysis tools developed in the LWRS program using the dynamic risk modelling tool, EMRALD, may be adapted for use in analyzing the physical security designs for advanced reactors accounting for variable performance-based requirements. This report provides an example analysis of a hypothetical SFR using publicly available information and generic assumptions to demonstrate the methods and potential presentation and analysis of the results. No actual plant information is used in this example analysis. Future work in this area will create additional models that can be adapted for any advanced reactor concept and use various security features to create a physical security system that provides adequate protection from radiological theft and sabotage.

97 MATHEMATICS AND COMPUTING↗

A combined machine learning and density functional theory study of binary Ti-Nb and Ti-Zr alloys: Stability and Young’s modulus

The multicomponent Ti alloys, specifically the -phase, have experienced a strong growth over the last decades, due to their outstanding properties of ultra-high strength and low Young’s modulus. These properties play a significant role in many aerospace and biomedical applications. Selection and optimization of multicomponent alloys is challenging due to the vast chemical and compositional space. Here we investigate the use of machine learning techniques informed by density functional calculations to guide the selection of Nb- and Zr-based Ti binary alloys. From the cubic structures obtained from high throughput calculations and literature, we identify several structures with Young’s moduli below 40 GPa. The multivariant decision tree methods provide efficient surrogate models to identify structure variables have high influences on the energetic stability and Young’s modulus. Furthermore, we implement a workflow of incorporating DFT provided results and machine learning method to explore the chemical and composition space of other binary and multicomponent alloys, to eventually accelerate the material design via taking advantages of identified key variables.

36 MATERIALS SCIENCE↗

A full-ring variable-aperture cadmium zinc telluride system for whole-body single photon emission computed tomography: realistic simulations with phantoms

Single photon emission computed tomography (SPECT) is an imaging modality that has demonstrated its utility in a number of clinical indications. Despite this progress, a high sensitivity, high spatial resolution, multi-tracer SPECT with a large field of view suitable for whole-body imaging of a broad range of radiotracers for theranostics is not available. Purpose We have designed a cadmium zinc telluride (CZT) variable-aperture full-ring SPECT scanner instrumented with a broad-energy tungsten collimator intended to fill this technological gap. The final purpose is to provide a multi-tracer solution for brain and whole-body imaging. Our static SPECT scanner breaks the paradigm of the standard dual- and triple-head rotational SPECT systems, utilizing a larger detector area in each scan increasing the sensitivity. We provide a demonstration of the performance of our design using a realistic model of our detector with simulated body-sized 99mTc phantoms. Methods We developed a realistic model of our detector by using a combination of a Geant4 Monte Carlo simulation and a CZT detector response model based on a finite element model. Our approach models the characteristic low-energy tail effect in CZT that noticeably affects the sensitivity and the quality of the scatter correction in CZT detectors. We implement a modified dual energy window scatter correction adapted to include the CZT low-energy tail effect. A dedicated correction is also developed to eliminate the undesirable truncation observed in images given the presence of detector edges and gaps between detectors, due to the non-rotational nature of our device. Corrections for the attenuation, detector response and the presence of collimators are also included. The images are reconstructed using the maximum-likelihood expectation-maximization algorithm implemented in the reconstruction open software STIR. Detector and reconstruction performance are characterized with a Derenzo phantom and a body-sized National Electrical Manufacturers Association (NEMA) Image Quality (IQ) phantom containing 99mTc. Results Our SPECT design can resolve 6.4mm rods in a Derenzo phantom and obtain a good image contrast with the IQ phantom. Explicit testing of the gap and edge correction is provided, showing an excellent performance in eliminating the image truncation artifacts. Our modified scatter correction shows no overestimation of the contrast-recovery ratio for our realistic CZT detector model, as opposed to the cases without correction and with a standard dual-energy window scatter correction. Conclusions In this paper, we further demonstrate the performance of our design for whole-body imaging purposes. This adds to our previous demonstration of improved qualitative and quantitative 99mTc imaging for brain perfusion and 123I imaging for dopamine transport with respect to state-of-the-art NaI dual-head cameras. We show that our design performs similarly to the VERITON SPECT from Spectrum Dynamics, a commercial full-ring CZT SPECT camera, with the potential advantage of the broader energy range of application given by our custom-design tungsten collimators. Here, our device combines high sensitivity and image resolution with a broad-energy imaging application for the purpose of clinical imaging and theranostics of emerging radionuclides.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Adaptive Sampling for In Situ Cloud Probe (Final Report)

Clouds play a leading role in the Earth's global energy and solar radiation balance and hydrological cycle. Improving cloud models requires detailed information on the cloud microphysical properties, such as droplet size distribution and number density, liquid water content and cloud composition (droplets, ice particles), which can only be provided by aerial in situ measurements. However, for many atmospheric measurement instruments, the lack of flexibility in selecting the operational mode during operation can lead to uncertainties in sampling and measurement characteristics under continuously varying atmospheric conditions. This SBIR project is developing an advanced, compact optical imaging technology for in situ characterization of cloud hydrometeors. The development involves a deep modification of the existing Mesa Photonics’ Cloud Droplet Measurement System (CDMS) in order to implement real-time automatic adaptive sampling based on the acquired in situ data and environmental parameters. The new system, CDMS-2, implements two measurement modes: side-scatter imaging for smaller hydrometeors and direct bright-field-illumination imaging for larger hydrometeors in a significantly larger sample volume. The system measures the droplet size distribution (DSD) and number density with an added capability of discriminating between liquid water and ice hydrometeors (based on polarization-resolved side-scatter imaging). The instrument will implement automatic switching or alternating between the regular side-scatter imaging mode and sparse/large hydrometeor mode (based on the acquired data). Other adaptive sampling capabilities include variable sample volume and dynamic range (based on the measured DSD). The preferred deployment platforms are uncrewed aircraft systems (UAS) and tethered balloon/kite systems (TBS). The Phase I project achieved (or exceeded) the goals listed in the Work Plan. A CDMS-2 laboratory prototype implementing the polarization-resolved side-scatter imaging mode and direct bright-field-illumination imaging mode was designed and built. Additional capabilities included the variable illumination pulse energy and sample volume. The smallest detectable droplet diameter was improved to 3–4 μm (from the nominal 10 μm value specified for the original CDMS). Discrimination between water droplets and ice particles was experimentally demonstrated. The Phase I prototype was extensively tested and calibrated in the laboratory and also tested in the Pi Cloud Chamber at Michigan Technological University (MTU). The two intensive experimental campaigns at MTU provided unique opportunities of testing the CDMS-2 laboratory prototype under realistic warm and mixed-phase cloud conditions (stable for long periods of time), testing different sampling modes and intercomparing the CDMS-2 prototype to other co-located cloud characterization instruments. The Phase I project successfully demonstrated the feasibility of the proposed technology and identified the engineering challenges of designing a field deployable prototype instrument in Phase II. The Phase I study provides a solid basis for development, characterization and field-testing of the proposed advanced cloud probe with adaptive sampling in Phase II followed by commercialization of the technology in Phase III.

47 OTHER INSTRUMENTATION↗

Autonomous organic synthesis for redox flow batteries via flexible batch Bayesian optimization

Traditional trial-and-error methods for materials discovery are inefficient to meet the urgent demands posed by the rapid progression of climate change. This urgency has driven the increasing interest in integrating robotics and machine learning into materials research to accelerate experimental learning. However, idealized decision-making frameworks to achieve maximum sampling efficiency are not always compatible with high-throughput experimental workflows inside a laboratory. For multi-step chemical processes, differences in hardware capacities can complicate the digital framework by introducing constraints on the maximum number of samples in each step of the experiment, hence causing varying batch sizes in variable selection within the same batch. Therefore, designing flexible sampling algorithms is necessary to accommodate the multi-step synthesis with practical constraints unique to each high-throughput workflow. In this work, we designed and employed three strategies on a high-throughput robotic platform to optimize the sulfonation reaction of redox-active molecules used in flow batteries. Our strategies adapt to the multi-step experimental workflow, where their formulation and heating steps are separate, causing varying batch size requirements. By strategically sampling using clustering and mixed-variable batch Bayesian optimization, we were able to iteratively identify optimal conditions that maximize the yields. Our work presents a flexible approach that allows tailoring the machine learning decision-making to suit the practical constraints in individual high-throughput experimental platforms, followed by performing resource-efficient yield optimization using available open-source Python libraries.

Tamura, Clara [Univ. of Washington, Seattle, WA (U↗