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DOE OSTI2023

University Coalition for Fossil Fuel Energy Research

Following a nationwide open competition, the University Coalition for Fossil Energy Research (UCFER) was established in October 2015 through a cooperative agreement between Penn State and the Department of Energy (DOE) National Energy Technology Laboratory (NETL). Penn State lead UCFER with the objective of advancing basic and applied research for clean and low-carbon energy based on fossil fuels in support of the DOE’s mission. UCFER focused on research that improves the efficiency of production and use of fossil energy resources, while minimizing the environmental impacts and reducing greenhouse gas emissions. Penn State lead a team of nine universities (Massachusetts Institute of Technology, The Pennsylvania State University, Princeton University, Texas A&M University, University of Kentucky, University of Southern California, The University of Tulsa, University of Wyoming, and Virginia Polytechnic and State University) during the competition stage, adding seven more universities in 2017 (Carnegie Mellon University, Louisiana State University, The Ohio State University, University of North Dakota, University of Pittsburgh, University of Utah, and West Virginia University). This Coalition exhibited a wide geographical distribution across the U.S. bringing a wide variety of fossil energy expertise. This national university alliance was a major collaborative effort with NETL to address specific topics of R&D in NETL’s mission area, which involved one or more of NETL’s five core competencies (Geologic and Environmental Systems, Materials Engineering and Manufacturing, Energy Conversion Engineering, Systems Engineering and Analysis, and Computational Science and Engineering). The first five to six months of the project was the definitization stage. During this period, Penn State worked closely with NETL to finalize the Coalition organizational structure and By- Laws, prepare a statement of substantial involvement and a statement of project objectives, and develop operations and membership plans. A major component of this stage included preparing an execution plan to solicit research, evaluate proposals, recommend selected projects to NETL, and award projects. In addition, a plan was prepared to monitor projects, review projects, disseminate knowledge from research projects and develop an online system for Coalition research portfolio management. This included developing a website and several databases. The first of six rounds of solicitations started in mid-2016. Projects from the sixth solicitation started February 1, 2021, and ended January 31, 2023. Projects that were selected represented twelve technology lines. Approximately $16.6 million in funding was available for the six solicitations. Most of the funding was provided by DOE, Office of Fossil Energy (DOEFE) with the DOE Fuel Cells Technologies Office (DOE-FCTO) providing funding for a few projects. Coalition universities submitted 259 proposals in response to the solicitations, requesting approximately $67.0 million in funding, and forty-three projects were selected. However, one project withdrew after the principal investigator left the university. The management of the Coalition projects was a major activity by Penn State. Managing the Coalition projects consisted of monitoring the projects, reviewing the projects through annual technical review meetings, disseminating knowledge from the research projects, and developing an online system for Coalition research portfolio management. Penn State’s OMT monitored projects to ensure that all milestones (technical, schedule, budget) were met, expenditures were allowable, cost share (when applicable) were reported, and all technical reports were submitted. The OMT also posted the technical reports electronically on a secure members-only website for access and review by the Coalition members. Disseminating knowledge from the research projects was done through a website, newsletters, various meetings, conferences, journal articles, publicity/press releases, and project summaries that were prepared after each project was completed. Penn State kept NETL apprised of UCFER progress through quarterly reports (thirtyone were submitted by Penn State), verbal and written communications, yearly updates at the annual technical review meetings, and cost accrual reports. The UCFER project had a significant impacty. The UCFER program established the first national university alliance in fossil energy research with a major collaboration effort with DOE NETL that addressed specific topics in NETL’s research and development mission areas. It generated inter-university collaborations, which was another program interest. Twenty-two out of 259 proposals contained collaborations (≈8.5%) and three of forty-two funded projects involved inter-university collaborations (≈7.0%). The forty-two funded projects provided support at fourteen universities involving 269 personnel. Research was conducted by 106 faculty, 115 graduate and undergraduate students, forty-six research staff and post-doctoral scholars, and two visiting scholars. Students and post-doctoral scholars were also on-site at NETL through CRADAs. In addition, non-Coalition participants included six universities and sixteen companies and national laboratories. The non-Coalition participants were involved as subcontractors, providers of cost share, performed unpaid consultation and sample analysis, served as advisory board members, or were providers of samples and materials for testing. UCFER also produced visibility in that fifty-six refereed journal articles were published, fifty-seven conference papers and twenty-three posters were prepared, 190 presentations were given, eight patent applications were filed, two books/book chapters were written, and ten software codes were developed. Collaboration between NETL and the individual projects was a major requirement for all funded projects. This included NETL staff time to support collaboration, consultation, technical guidance, sample preparation and analysis, internships at NETL, on-site testing and equipment usage by Coalition participants at NETL, co-mentoring students, and coauthoring journal articles and conference papers. Collaboration was impacted by COVID-19 in that not all on-site activities could be performed. NETL personnel were coauthors on eight of the conference papers (fourteen percent of the conference papers that were prepared) and seventeen of the journal articles (thirty percent of the journal articles that were prepared). A website was developed for an online proposal solicitation and review process and to provide exposure to UCFER. A website analysis highlighted the large amount of member and general public interest in UCFER by interpreting access statistics from March 2016 through June 2023. Visitors to the site originated from many different organizations, businesses, and countries. The website provided a means to disseminate information to both the general public and the UCFER members and was successfully used for outreach activities. In addition, NETL required that RFP release, proposal submission, and proposal reviews all be performed online. Penn State successfully developed these capabilities in a secure section of the website, which were used throughout the UCFER project. It is recognized that each project had its technical successes. In addition, highlighted successes were compiled and summarized from the research projects. Information was requested from the PIs of completed projects. In addition, Penn State’s Operations Management Team reviewed subcontract reports to identify project successes. Examples of information requested from PIs included (not all-inclusive): new projects that have been funded as a result of UCFER funding; new commercial products; establishment of a new center; new patent; new software; best paper awards; highly-cited work; and graduate student successes. A total of forty-eight highlighted successes were reported.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2025

PARETO UI 1.1.0 Release

PARETO is an open-source Python-based software package for oilfield produced water management and beneficiary reuse optimization. PARETO supports produced water industry by providing cost-effective water management solutions. This version introduced an updated User Interface (UI) which makes it easier to navigate and understand the solution for industry users. New Features: - Map files are added for visualization - Added output export function button - Water residual view added - Workflow was streamlined - File extension was expanded - Minor bugfix

AS↗
DOE OSTI2023

CCSI Toolset 3.18 Release

CCSI Toolset 3.18 Release Highlights FOQUS was updated to allow installation for users using MacOS on Apple silicon. FOQUS Cloud support was added for user plugins. The Optimality-Based Design of Experiments tutorials were updated to reflect the latest changes in the user interface flow. The plot discrete sliders were fixed for CDF and 3D plots within Uncertainty Quantification, which were not working due to a matplotlib depreciation. The installation was updated to set the default location for the PSUADE executable if found in the environment. Updates were made to allow compatibility with NumPy 1.25. Additional documentation changes were made to fix typographical errors and fix a broken link to optional software.

AS↗
NASA NTRS2004

New Tool Released for Engine-Airframe Blade-Out Structural Simulations

Researchers at the NASA Glenn Research Center have enhanced a general-purpose finite element code, NASTRAN, for engine-airframe structural simulations during steady-state and transient operating conditions. For steady-state simulations, the code can predict critical operating speeds, natural modes of vibration, and forced response (e.g., cabin noise and component fatigue). The code can be used to perform static analysis to predict engine-airframe response and component stresses due to maneuver loads. For transient response, the simulation code can be used to predict response due to bladeoff events and subsequent engine shutdown and windmilling conditions. In addition, the code can be used as a pretest analysis tool to predict the results of the bladeout test required for FAA certification of new and derivative aircraft engines. Before the present analysis code was developed, all the major aircraft engine and airframe manufacturers in the United States and overseas were performing similar types of analyses to ensure the structural integrity of engine-airframe systems. Although there were many similarities among the analysis procedures, each manufacturer was developing and maintaining its own structural analysis capabilities independently. This situation led to high software development and maintenance costs, complications with manufacturers exchanging models and results, and limitations in predicting the structural response to the desired degree of accuracy. An industry-NASA team was formed to overcome these problems by developing a common analysis tool that would satisfy all the structural analysis needs of the industry and that would be available and supported by a commercial software vendor so that the team members would be relieved of maintenance and development responsibilities. Input from all the team members was used to ensure that everyone's requirements were satisfied and that the best technology was incorporated into the code. Furthermore, because the code would be distributed by a commercial software vendor, it would be more readily available to engine and airframe manufacturers, as well as to nonaircraft companies that did not previously have access to this capability.

Lawrence, Charles↗
DOE OSTI2017

Transitioning NWChem to the Next Generation of Manycore Machines

The NorthWest chemistry (NWChem) modeling software is a popular molecular chemistry simulation software that was designed from the start to work on massively parallel processing supercomputers [1-3]. It contains an umbrella of modules that today includes self-consistent eld (SCF), second order Møller-Plesset perturbation theory (MP2), coupled cluster (CC), multiconguration self-consistent eld (MCSCF), selected conguration interaction (CI), tensor contraction engine (TCE) many body methods, density functional theory (DFT), time-dependent density functional theory (TDDFT), real-time time-dependent density functional theory, pseudopotential plane-wave density functional theory (PSPW), band structure (BAND), ab initio molecular dynamics (AIMD), Car-Parrinello molecular dynamics (MD), classical MD, hybrid quantum mechanics molecular mechanics (QM/MM), hybrid ab initio molecular dynamics molecular mechanics (AIMD/MM), gauge independent atomic orbital nuclear magnetic resonance (GIAO NMR), conductor like screening solvation model (COSMO), conductor-like screening solvation model based on density (COSMO-SMD), and reference interaction site model (RISM) solvation models, free energy simulations, reaction path optimization, parallel in time, among other capabilities [4]. Moreover, new capabilities continue to be added with each new release.

Bylaska, Eric J.↗
DOE OSTI2021

Computational Fluid Dynamics Modeling to Simulate a Combined Reforming Process for Syngas and Hydrogen Production

An Oxygen Transport Membrane (OTM) combined reforming technology for producing syngas and hydrogen integrates the advantages of multiple processes—steam methane reforming (SMR), autothermal reforming (ATR), an air separation unit (ASU)—into a single integrated technology. The OTM consists of a primary reforming tube, in which desulfurized natural gas is partially reformed by steam at high pressure in the presence of a metal catalyst. This process is followed in series by a ceramic OTM with a secondary reformer, in which residual methane reforms and O 2 - ions react with a portion of the CO and H 2 fuel to provide the heat to support both primary and secondary reforming. Although the OTM combined reformer technology for syngas and H 2 production has been substantially developed in the last decade, several challenges that affect the overall production efficiency and reliability are yet to be fully understood, addressed, and resolved. Therefore, developing Computational Fluid Dynamics (CFD) models that incorporate fluid dynamics, mass transport, kinetics, heat transport, and structural mechanics is critical to understanding and minimizing the probability of tube failures during the startup and operation. In this report, an exhaustive literature review was performed to survey the current state of technology for producing syngas and H 2 using either conventional or renewable energy sources. The feedstocks reviewed include natural gas and coal for the conventional technologies, whereas biomass, solar, wind, and nuclear energy for the renewable technologies. The existing industry-grade COMSOL multiphysics models of OTM were upgraded for the latest software release. In addition, they were improved to help achieve grid and solver independence and were successfully ported on the ORNL high-performance computing clusters to speed up their run times. A 42% reduction in the simulation run time was achieved. A new higher-fidelity CFD model of an OTM tube was developed in the StarCCM+ simulation platform. This new model was designed to simulate various physics using first principles, e.g., turbulent flow, heat transfer, and chemical reactions while avoiding unnecessary simplifications. The resulting predictions were qualitatively assessed and provided useful insights into the multiphysics complexity of an OTM tube.

08 HYDROGEN↗
NASA NTRS2006

Automated Activation and Deactivation of a System Under Test

The MPLM Automated Activation/Deactivation application (MPLM means Multi-Purpose Logistic Module) was created with a three-fold purpose in mind: 1. To reduce the possibility of human error in issuing commands to, or interpreting telemetry from, the MPLM power, computer, and environmental control systems; 2. To reduce the amount of test time required for the repetitive activation/deactivation processes; and 3. To reduce the number of on-console personnel required for activation/ deactivation. All of these have been demonstrated with the release of the software. While some degree of automated end-item commanding had previously been performed for space-station hardware in the test environment, none approached the functionality and flexibility of this application. For MPLM activation, it provides mouse-click selection of the hardware complement to be activated, activates the desired hardware and verifies proper feedbacks, and alerts the user when telemetry indicates an error condition or manual intervention is required. For MPLM deactivation, the product senses which end items are active and deactivates them in the proper sequence. For historical purposes, an on-line log is maintained of commands issued and telemetry points monitored. The benefits of the MPLM Automated Activation/ Deactivation application were demonstrated with its first use in December 2002, when it flawlessly performed MPLM activation in 8 minutes (versus as much as 2.4 hours for previous manual activations), and performed MPLM deactivation in 3 minutes (versus 66 minutes for previous manual deactivations). The number of test team members required has dropped from eight to four, and in actuality the software can be operated by a sole (knowledgeable) system engineer.

Poff, Mark A.↗
NASA NTRS2013

Estimating Foreign-Object-Debris Density from Photogrammetry Data

Within the first few seconds after launch of STS-124, debris traveling vertically near the vehicle was captured on two 16-mm film cameras surrounding the launch pad. One particular piece of debris caught the attention of engineers investigating the release of the flame trench fire bricks. The question to be answered was if the debris was a fire brick, and if it represented the first bricks that were ejected from the flame trench wall, or was the object one of the pieces of debris normally ejected from the vehicle during launch. If it was typical launch debris, such as SRB throat plug foam, why was it traveling vertically and parallel to the vehicle during launch, instead of following its normal trajectory, flying horizontally toward the north perimeter fence? By utilizing the Runge-Kutta integration method for velocity and the Verlet integration method for position, a method that suppresses trajectory computational instabilities due to noisy position data was obtained. This combination of integration methods provides a means to extract the best estimate of drag force and drag coefficient under the non-ideal conditions of limited position data. This integration strategy leads immediately to the best possible estimate of object density, within the constraints of unknown particle shape. These types of calculations do not exist in readily available off-the-shelf simulation software, especially where photogrammetry data is needed as an input.

Long, Jason↗
DOE OSTI2022

Photometric identification of compact galaxies, stars, and quasars using multiple neural networks

We present MargNet, a deep learning-based classifier for identifying stars, quasars, and compact galaxies using photometric parameters and images from the Sloan Digital Sky Survey Data Release 16 catalogue. MargNet consists of a combination of convolutional neural network and artificial neural network architectures. Using a carefully curated data set consisting of 240 000 compact objects and an additional 150 000 faint objects, the machine learns classification directly from the data, minimizing the need for human intervention. MargNet is the first classifier focusing exclusively on compact galaxies and performs better than other methods to classify compact galaxies from stars and quasars, even at fainter magnitudes. This model and feature engineering in such deep learning architectures will provide greater success in identifying objects in the ongoing and upcoming surveys, such as Dark Energy Survey and images from the Vera C. Rubin Observatory.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2008

MACOS Version 3.31

Version 3.31 of Modeling and Analysis for Controlled Optical Systems (MACOS) has been released. MACOS is an easy-to-use computer program for modeling and analyzing the behaviors of a variety of optical systems, including systems that have large, segmented apertures and are aligned with the technology of wavefront sensing and control. Two previous versions were described in "Improved Software for Modeling Controlled Optical Systems" (NPO-19841) NASA Tech Briefs, Vol. 21, No. 12 (December 1997), page 42 and "Optics Program Modified for Multithreaded Parallel Computing" (NPO-40572) NASA Tech Briefs, Vol. 30, No. 1 (January 2006) page 13a. The present version incorporates the following enhancements over prior versions: a) A powerful system-optimization facility includes algorithms for linear, nonlinear, unconstrained, and constrained optimization of optical systems under a variety of settings. b) There is now enhanced capability to perturb optical components individually and on subsystem levels, and to optimize system performance by adjusting selected individual components as well as subsystems. c) Capabilities for modeling a variety of new optical aperture types have been added. d) Effects of multilayer thin-film coats on optical surfaces can now be taken into account when tracing polarized rays. e) Major software-engineering work was performed to make MACOS more reliable, flexible, and manageable for purposes of maintenance and further development.

Redding, David↗
DOE OSTI2019

Simulation of Uranium(VI) Speciation and Sorption in Montmorillonite Clay in the Presence of Calcite Impurities

Montmorillonite is an abundant clay mineral that has been identified as the primary component in engineered bentonite barrier systems in future nuclear waste repositories. Selective sorption onto planar and edge surfaces of clay particles make it a great candidate for the attentuation of uranium(VI). Although previous works have investigated uranium(VI) interactions with this clay, few have done so in the presence of calcite, a mineral impurity in bentonite that is understood to alter U(VI) speciation, sorption, and consequently its mobility. PHREEQC software is used to simulate the chemical solution speciation of U(VI) under various known repository conditions, in the absence and presence of calcite, and across a range of U(VI)concentrations (1.0E-7 to 1.0E 5 M), and partial pressures of CO 2 (zero to 2% CO2) (Fig. 1). In addition, the kinetic dissolution of calcite is simulated to gain a better understanding of how quickly chemical equilibrium can be reached in these systems. Lastly, surface complexation models will be developed to characterize the influence of calcite impurities on the formation of ternary U(VI)-Ca-carbonate solution species on U(VI) sorption behavior. Our results indiciate that the presence of Ca 2+ and CO 3 2- ions released from calcite leads to U(VI)-Ca-carbonate species with a negative or neutral charge even without the presence of CO 2 . Quantification of these species will allow for the development of more accurate U(VI)-montmorillonite sorption models. Calcite precipitation at alkaline pH further complicates speciation by creating a competation for Ca 2+ . This research is being performed using funding received from the DOE Office of Nuclear Energy’s NEUP.

Pistorino, Jonathan C.↗
NASA NTRS2001

High Speed PC Based Data Acquisition and Instrumentation for Measurement of Simulated Low Earth Orbit Thermally Induced Disturbances

The Hubble Space Telescope (HST) Disturbance Verification Test (DVT) was conducted to characterize responses of the Observatory's new set of rigid solar array's (SA3) to thermally induced 'creak' or stiction releases. The data acquired in the DVT were used in verification of the HST Pointing Control System on-orbit performance, post-Servicing Mission 3B (SM3B). The test simulated the on-orbit environment on a deployed SA3 flight wing. Instrumentation for this test required pretest simulations in order to select the correct sensitivities. Vacuum compatible, highly accurate accelerometers and force gages were used for this test. The complexity of the test, as well as a short planning schedule, required a data acquisition system that was easy to configure, highly flexible, and extremely robust. A PC Windows oriented data acquisition system meets these requirements, allowing the test engineers to minimize the time required to plan and perform complex environmental test. The SA3 DVT provided a direct practical and complex demonstration of the versatility that PC based data acquisition systems provide. Two PC based data acquisition systems were assembled to acquire, process, distribute, and provide real time processing for several types of transducers used in the SA3 DVT. A high sample rate digital tape recorder was used to archive the sensor signals. The two systems provided multi-channel hardware and software architecture and were selected based on the test requirements. How these systems acquire and processes multiple data rates from different transducer types is discussed, along with the system hardware and software architecture.

Sills, Joel W., Jr.↗
NASA NTRS2013

Acoustic Emission Health Monitoring of Fill Purge COPV's Used in Aerospace and Automotive Applications and Designed for Long Cycle Life

Cumulative composite damage in composite pressure vessels (CPVs) currently is not monitored on-orbit. Consequently, hazards due to catastrophic burst before leak (BBL) or compromised CPV reliability cannot be ascertained or mitigated, posing a risk to crew and mission assurance. The energy associated with CPV rupture can be significant, especially with high pressure gases are under containment, and the energy releases can be severe enough to cause injury, death, loss of assets or mission. Dual-Use Rationale: CPVs similar to those used by NASA on ISS, for example, are finding increasing use in automotive and transportation industry applications. These CPVs generally have a nonload sharing liner and are repeatedly filled over their service lifetime, typically with hydrogen or compressed natural gas (CNG). The same structural health monitoring equipment and software developed by NASA WSTF for evaluating, in real-time, the health of NASA CPVs on ISS will be used to evaluate the health of automotive CPVs, the only differences being the type and design of the CPV, and the in-service lifetime pressure histories. HSF Need(s)/Performance Characteristic(s) Supported: 1) Enable on-board vehicle systems management for mission critical functions at destinations with > 3 second time delay 2) Enable autonomous nominal operations and FDIR for crewed and un-crewed systems 3) Reduce on-board crew time to sustain and manage vehicle by factor of 2x at destinations with > 6 second time delay (see Crew Autonomy sheet) 4) Reduce earth-based mission ops "back room engineering" requirements for distant mission support delay (see Mission Autonomy sheet)

Waller, Jess↗
DOE OSTI2021

Analysis and Recommendation of Alpha-Beta Continuous Air Monitor Alarm Setpoints for the RPL Stack Exhaust

The Radiochemical Processing Laboratory (RPL) alpha-beta continuous air monitor (CAM) is used for real-time detection of “artificial” alpha-beta particulates from the stack exhaust. The CAM interfaces with software developed by the Pacific Northwest National Laboratory—called the “PNNL OS3300 Alpha-Beta Monitoring Software”—that provides real-time estimates of alpha-beta air concentrations and integrated activities that are calculated from measured CAM counts. The OS3300 software has alarm setpoints that can be used to provide an early indication of larger releases, that if allowed to persist, could approach defined dose limits. This report performs a detailed review of historical and current alarm setpoints used at RPL, including discussion of the technical basis used in their development, analysis of alarm frequencies using measured historical data, and performs a detailed dose assessment using more realistic release scenarios, meteorology, and adjustment factors used in estimating released stack activity. Based on the results, the alpha and beta air concentration alarm setpoints will remain 1.77 × 10 -8 µCi/ml and 3.47 × 10 -8 µCi/ml, respectively; and the alpha and beta integrated activity alarm setpoints will remain 70.22 µCi and 137.63 µCi, respectively. These setpoints achieve the right operational balance in identifying larger releases from planned radiological work at RPL, without being overly conservative so as to cause nuisance alarming. Furthermore, implied doses associated with these setpoints are below defined and regulatory limits.

325RPL↗
DOE OSTI2026

PlantCV v4: Image analysis software for high‐throughput plant phenotyping

PlantCV is an open-source Python project aimed at developing tools to address a range of image-based, plant phenotyping questions. PlantCV has been used for more than 10 years to automate trait collection from image data, and the newest release, PlantCV version 4, continues to lower the barrier to entry for users without substantial coding experience through extensive example use-case tutorials and simplified installation. In addition to usability, we document added functionality since the release of PlantCV v2, including support for more image types such as fluorescence, thermal, and hyperspectral data. Finally, we describe the development of a new subpackage focused on morphological trait measurements like leaf angle, and demonstrate its utility as compared to more manual methods of data collection.

Schuhl, Haley [Donald Danforth Plant Science Cente↗
DOE OSTI2024

Multilevel Monte Carlo Estimators For Derivative-Free Optimization Under Uncertainty

Optimization is a key tool for scientific and engineering applications; however, in the presence of models affected by uncertainty, the optimization formulation needs to be extended to consider statistics of the quantity of interest. Optimization under uncertainty (OUU) deals with this endeavor and requires uncertainty quantification analyses at several design locations; i.e., its overall computational cost is proportional to the cost of performing a forward uncertainty analysis at each design location. An OUU workflow has two main components: an inner loop strategy for the computation of statistics of the quantity of interest, and an outer loop optimization strategy tasked with finding the optimal design, given a merit function based on the inner loop statistics. Here, in this work, we propose to alleviate the cost of the inner loop uncertainty analysis by leveraging the so-called multilevel Monte Carlo (MLMC) method, which is able to allocate resources over multiple models with varying accuracy and cost. The resource allocation problem in MLMC is formulated by minimizing the computational cost given a target variance for the estimator. We consider MLMC estimators for statistics usually employed in OUU workflows and solve the corresponding allocation problem. For the outer loop, we consider a derivative-free optimization strategy implemented in the SNOWPAC library; our novel strategy is implemented and released in the Dakota software toolkit. We discuss several numerical test cases to showcase the features and performance of our approach with respect to its Monte Carlo single fidelity counterpart.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Economic and Jobs Impacts of Point-Source Carbon Capture in Cement Industry – Case Study

The cement industry accounts for an estimated 8% of global CO2 emissions, which surpasses that of the entire aviation sector. In contrast with other industries, where CO2 emissions can be drastically reduced via electrification or fuels substitution, cement production releases CO2 as part of its process, during the calcination of carbonates to yield oxides. Thus, point-source carbon capture has become a key technology in the cement industry’s decarbonization. Apart from the expected environmental benefits, point-source carbon capture in the cement industry can yield important economic benefits and create jobs. The objective of this study was to perform a preliminary assessment of the economic and workforce impacts associated with the construction and operation of a point-source carbon capture retrofit of an existing cement production facility, using as a basis the data from a front-end engineering design (FEED) study to install a 3.9 million metric tons per year (Mtpy) CO2 capture facility at Holcim Ste Genevieve cement plant in Missouri, United States of America. The advanced carbon capture technology used in this FEED study was Air Liquide’s Cryocap™ FG carbon capture technology. The study evaluated the direct, indirect, and induced economic impacts of the construction, operation, and maintenance activities of the project over its lifespan. It also covered how the project will generate new jobs, their nature, and quantity, along with strategies to prepare the workforce. To perform this study, construction, operation, and maintenance cost estimates, as well as construction and operation staffing plans from the FEED study were input into IMPLAN version 7.5 software, licensed by IMPLAN Group LLC (Huntersville, VC), to predict the direct, indirect and induced economic impacts of the project using industry multipliers from the software. Additionally, recruitment strategies were developed for hiring individuals who belong to groups that are historically underserved or underrepresented, as well as anticipated recruitment of workers from the local community (whether training will be required or if the skills are associated with an existing labor force). The analysis estimated that the construction and operation of the carbon capture at Holcim Ste. Genevive will result in over 24 thousand work-years of job opportunities, close to USD 10 billion of economic impacts, including over USD 460 million of tax revenue. These results encompass the direct, indirect, and induced effects. A strategy to maximize hiring from the project and neighboring counties was developed, leveraging training agreements with local trade groups and universities. The result of this study can be used for a strategic preliminary assessment of the potential regional economic and job impacts of retrofitting existing cement plants with point source carbon systems, and its methodology can be replicated to individual projects to aid in planning and workforce development.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2018

Updated status of the ART neutronic fast reactor tools integration to the NEAMS Workbench

The Workbench initiative was launched in FY-2017 within the Nuclear Energy Advanced Modeling and Simulation (NEAMS) Integration Product Line to facilitate the transition from conventional tools to high-fidelity tools. The Workbench provides a common user interface for model creation, real-time validation, execution, output processing, and visualization for integrated codes. The integration of the Argonne Reactor Computation (ARC) suite of codes into the NEAMS Workbench was initiated in FY-2017. The ARC codes contain both legacy codes like DIF3D and REBUS-3 that were developed with over 30 years of experience, and newer NEAMS additions like MC 2 -3 and PERSENT. The ARC integration into the NEAMS Workbench interface relies on the PyARC module which handles the pre- and post-processing of the native ARC codes input, and the runtime environment. The PyARC module together with the NEAMS Workbench interface are both released under Open Source Software licenses. This report describes the ARC capabilities available with the Workbench at the end of FY-2018, and a tutorial is provided together with the automatically-generated code documentation. Integrating the ARC codes into the Workbench benefits directly the Advanced Reactor Technology (ART) Campaign by providing a set of controlled, maintained and validated scripts to generate ARC inputs, which promotes best practices, reduces the learning curve, and facilitates project collaboration. The second benefit from this project is to improve the user experience with the ARC codes: the Workbench interface provides assistance for building an input through auto-completion, real-time validation, access to templates, and visualization. Finally, the ARC integration into the NEAMS Workbench enables new modeling capabilities, those will be extremely useful for advanced reactor design and analyses. The PyARC module facilitates and automatizes complex calculations and workflows for reactor analysis enabling geometrical perturbations, cross-section update through depletion, etc. The Dakota/PyARC coupling in the Workbench was also demonstrated to enable mathematical optimization and sensitivity analysis/uncertainty quantification (SA/UQ) techniques with ARC neutronic simulations. For demonstration purposes, the ARC codes were used through the Workbench for solving the Sodium-cooled Fast Reactor Uncertainty Analysis in Modelling (SFR-UAM) benchmark problems. The ARC codes are currently used at ANL through the Workbench by nuclear engineers for SFR core design analyses. Future efforts will focus on continuously adding modeling capabilities available with the ARC codes, training new users to continue building some experience, and on integrating high-fidelity codes such as PROTEUS into the Workbench.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗