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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

A Digital Twin Approach to Study Additive Manufacturing Processing Using Embedded Optical Fiber Sensors and Numerical Modeling

One of the major challenges for metal-powder-based additive manufacturing is measuring and mitigating residual strain induced during the manufacturing processes. This article reports distributed fiber optic sensors embedded in Inconel alloy components as experimental means to validate numerical models of additive manufacturing process. Electroplating was used to deposit a metal protective jacket onto standard telecom single-mode fibers for strain measurements, Fiber sensors were embedded in an Inconel alloy substrate using the laser engineered net shaping (LENS) process. Here by using a Rayleigh-scattering optical frequency domain reflectometer (OFDR), temperature changes, and residual strain in the metal substrate were monitored with 5 mm spatial resolution during the LENS process. Using finite element analysis, temperature and strain profiles induced by the LENS deposition processes were also numerically studied. Discrepancies between the simulated temperature and strain profiles and those measured directly were less than 10%. Results presented in this article demonstrates a digital twin approach to fuse modeling results with distributed fiber sensor measurement data to study additive manufacturing process toward design and fabrication process optimization.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Influence of Tabula Rasa on Process- and Light-Induced Degradation of Solar Cells Fabricated From Czochralski Silicon

Monocrystalline Si solar cells are fabricated from Czochralski (Cz) Si, which contains 10 17 –10 18 cm -3 oxygen atoms. Cz Si undergoes degradation during high-temperature thermal processing steps, such as dopant diffusion to form the p - n junction. This degradation in the bulk minority carrier lifetime can be related to the formation of oxygen precipitates. We found that a high-temperature annealing process known as tabula rasa (TR) not only mitigates process-induced degradation via oxygen precipitate nuclei dissolution, but also modifies subsequent light-induced degradation. We report on the bulk carrier lifetime of n - and p -type Cz Si after TR, which homogenizes the interstitial oxygen in the bulk Si to its monoatomic form in either an N 2 or O 2 environment. A control sample, which was not subjected to a TR processing step, experienced severe process-induced degradation during a boron emitter thermal budget as oxygen precipitates were formed in the Si bulk. These precipitates could be imaged using photoluminescence. Additionally, samples that underwent a TR processing step prior to the boron emitter thermal budget show efficient gettering of metallic impurities compared to the control sample, which showed a decline in the implied open-circuit voltage after the gettering step. Furthermore, modification of the interstitial oxygen bonding by TR had a strong effect on the light-induced degradation kinetics. Instead of a typically observed monotonic decrease, minority carrier lifetime increases first, followed by a nonmonotonic decrease over a ~20 h period. Finally, we conclude that by modifying the interstitial oxygen bonding via TR pretreatment, p -type Cz Si wafers become substantially resistant to harsh solar cell processes and strongly modified light-induced degradation, which would open alternative ways to mitigate this degradation mechanism.

14 SOLAR ENERGY↗
DOE OSTI2021

Balanced stochastic versus deterministic assembly processes benefit diverse yet uneven ecosystem functions in representative agroecosystems

Ecological assembly processes, by influencing community composition, determine ecosystem functions of microbiomes. However, debate remains on how stochastic versus deterministic assembly processes influence ecosystem functions such as carbon and nutrient cycling. Towards a better understanding, we investigated three types of agroecosystems (the upland, paddy, and flooded) that represent a gradient of stochastic versus deterministic assembly processes. Carbon and nutrient cycling multifunctionality, characterized by nine enzymes associated with soil carbon, nitrogen, phosphorous and sulfur cycling, was evaluated and then associated with microbial assembly processes and cooccurrence patterns of vital ecological groups. Our results suggest that strong deterministic processes favour microorganisms with convergent functions (as in the upland agroecosystem), while stochasticity-dominated processes lead to divergent functions (as in the flooded agroecosystem). To benefit agroecosystems services, we speculate that it is critical for a system to maintain balance between its stochastic and deterministic assembly processes (as in the paddy agroecosystem). By doing so, the system can preserve a diverse array of functional traits and also allow for particular traits to flourish. To further confirm this speculation, it is necessary to develop a systematic knowledge beyond merely characterizing general patterns towards the associations among community assembly, composition, and ecosystem functions.

Liu, Wenjing↗
DOE OSTI2021

Processing and 3D printing of SiCN polymer-derived ceramics

Preceramic polymer resins are attractive for the 3D printing of net-shaped ceramic components. Recently various processes have been demonstrated for 3D printing of polymer-derived ceramics (PDCs). Ultimately in these processes, the process outcomes strongly depend on the process parameters. In particular, for PDCs the ceramic density, and ceramic yield are affected by the catalyst concentration and cross-linking duration. Here, we use thermal analysis and FTIR to quantify the interrelation of the process parameters on the process outcome for polysilazanes and demonstrate 3D printing of PDC components based on the best-identified process parameters. Furthermore, the results of this work can be used as guidelines for future additive manufacturing of PDCs.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Fabrication of ThN Using a Carbothermic Reduction to Nitridation Process

A carbothermic reduction to nitridation process was developed which is capable of producing high-purity thorium mononitride (ThN) in bulk quantities. This was accomplished through study of three distinct processing routes using thermogravimetric analysis. The information gathered was then used to guide development of a draft process, which was tested within a tungsten production furnace. Scaling issues were identified and corrected following the draft process. Finally, a partitioned process was developed in response to the draft process which separates the reduction from the nitridation and carbon cleanup steps. This partitioned process was demonstrated to be capable of producing phase-pure ThN, with oxygen and carbon impurities of 990 ± 130 wppm and 240 ± 30 wppm, respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2016

SU-F-T-251: The Quality Assurance for the Heavy Patient Load Department in the Developing Country: The Primary Experience of An Entire Workflow QA Process Management in Radiotherapy

Purpose: To implement an entire workflow quality assurance (QA) process in the radiotherapy department and to reduce the error rates of radiotherapy based on the entire workflow management in the developing country. Methods: The entire workflow QA process management starts from patient registration to the end of last treatment including all steps through the entire radiotherapy process. Error rate of chartcheck is used to evaluate the the entire workflow QA process. Two to three qualified senior medical physicists checked the documents before the first treatment fraction of every patient. Random check of the treatment history during treatment was also performed. A total of around 6000 patients treatment data before and after implementing the entire workflow QA process were compared from May, 2014 to December, 2015. Results: A systemic checklist was established. It mainly includes patient’s registration, treatment plan QA, information exporting to OIS(Oncology Information System), documents of treatment QAand QA of the treatment history. The error rate derived from the chart check decreases from 1.7% to 0.9% after our the entire workflow QA process. All checked errors before the first treatment fraction were corrected as soon as oncologist re-confirmed them and reinforce staff training was accordingly followed to prevent those errors. Conclusion: The entire workflow QA process improved the safety, quality of radiotherapy in our department and we consider that our QA experience can be applicable for the heavily-loaded radiotherapy departments in developing country.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Leaf-scale carbon assimilation simulated by the multi-assumption architecture & testbed for process sensitivity analysis

Raw and processed output from the Multi-Assumption Architecture & Testbed (MAAT, https://github.com/walkeranthonyp/MAAT, tag: v1.2.1_walker2020; Walker et al., 2018). The dataset contains leaf-scale carbon assimilation data from three MAAT simulations and their post-processing and plotting scripts. Simulation 1, labelled "FvC_4proc_proc," is a four-process, process sensitivity analysis (Dai et al., 2017) of carbon assimilation based on the Farquhar et al. (1980) photosynthesis model, and its variant proposed by Collatz et al. (1991). Simulation 2, labelled "FvC_4proc_salt," is a 14 parameter sensitivity analysis (Saltelli et al., 2010) of carbon assimilation based on the Farquhar and Collatz photosynthesis models. Simulation 3, labelled "FvC," is a factorial combination of the alternative process representations and parameter values presented in those original papers across a factorial combination of incident photosynthetically active radiation (50-2000 µmol m-2 s-1, in increments of 50) and atmospheric CO2 concentration (50-1500 µmol m-2 s-1, in increments of 50). Additional scripts/functions for post-processing and plotting are part of the MAAT repository. These data were generated to evaluate and compare the Farquhar and Collatz models of leaf-scale photosynthesis across a range of CO2 and incident light conditions. Analysis of results can be found in Walker et al. (2020). This dataset is comprised of R scripts to process data and produce figures; .RDS files, a binary format specific to R and read with the 'readRDS' function, to store raw MAAT output; R and bash scripts (.bs) that help to run a MAAT simulation, .XML files that are output from MAAT describing a run, and .csv files which contain the calculated sensitivity indexes published in Walker et al. (2020).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Cavity Processing and Preparation of 650 MHz Elliptical Cell Cavities for PIP-II

The PIP-II project at Fermilab requires fifteen 650 MHz SRF cryomodules as part of the 800 MeV LINAC that will provide a high intensity proton beam to the Fermilab neutrino program. A total of fifty-seven high-performance SRF cavities will populate the cryomodules and will operate in both pulsed and continuous wave modes. These cavities will be processed and prepared for performance testing utilizing adapted cavity processing infrastructure already in place at Fermilab and Argonne. The processing recipes implemented for these structures will incorporate state-of-the art processing and cleaning techniques developed for 1.3 GHz SRF cavities for the ILC, XFEL, and LCLS-II projects. This paper describes the details of the processing recipes and associated chemistry, heat treatment, and cleanroom processes at the Fermilab and Argonne cavity processing facilities. This paper also presents single and multi-cell cavity test results with quality factors above 5·10¹⁰ and accelerating gradients above 30 MV/m.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

In Situ Plasma Processing of Superconducting Cavities at JLab

Jefferson Lab has an ongoing R&D program in plasma processing which is close to going into production pro-cessing in the CEBAF accelerator. Plasma processing is a common technique for removing hydrocarbons from surfaces, which increases the work function and reduces the secondary emission coefficient[1]. The initial focus of the effort is processing C100 cavities by injecting RF power into the HOM coupler ports. The goal will be to improve the operational gradients and the energy margin of the CEBAF linacs by processing cryomodules in situ. Results from processing cryomodule in the cryomodule test bunker as well as vertical test results will be present-ed. This work will describe the systems and methods used at JLAB for processing cavities using an argon oxygen gas mixture. Before and after plasma processing results will also be presented.

Powers, T.↗
DOE OSTI2014

Bench-Scale Development of a Hot Carbonate Absorption Process with Crystallization-Enabled High-Pressure Stripping for Post-Combustion CO 2 Capture (Final Scientific/Technical Report)

A novel Hot Carbonate Absorption Process with Crystallization-Enabled High-Pressure Stripping (Hot-CAP) has been developed by the University of Illinois at Urbana-Champaign and Carbon Capture Scientific, LLC in this three-year, bench-scale project. The Hot-CAP features a concentrated carbonate solution (e.g., K 2 CO 3 ) for CO 2 absorption and a bicarbonate slurry (e.g., KHCO 3 ) for high-pressure CO 2 stripping to overcome the energy use and other disadvantages associated with the benchmark monoethanolamine (MEA) process. The project was aimed at performing laboratory- and bench-scale experiments to prove its technical feasibility and generate process engineering and scale-up data, and conducting a techno-economic analysis (TEA) to demonstrate its energy use and cost competitiveness over MEA. To meet project goals and objectives, a combination of experimental, modeling, process simulation, and economic analysis studies were applied. Carefully designed and intensive experiments were conducted to measure thermodynamic and reaction engineering data relevant to four major unit operations in the Hot-CAP (i.e., CO 2 absorption, CO 2 stripping, bicarbonate crystallization, and sulfate reclamation). The rate promoters that could accelerate the CO 2 absorption rate into the potassium carbonate/bicarbonate (PCB) solution to a level greater than that into the 5 M MEA solution were identified, and the superior performance of CO 2 absorption into PCB was demonstrated in a bench-scale packed-bed column. Kinetic data on bicarbonate crystallization were developed and applied for crystallizer design and sizing. Parametric testing of high-pressure CO 2 stripping with concentrated bicarbonate-dominant slurries at high temperatures (≥140°C) in a bench-scale stripping column demonstrated lower heat use than with MEA. The feasibility of a modified process for combining SO 2 removal with CO 2 capture was preliminarily demonstrated. In addition to the experimental studies, the technical challenges pertinent to fouling of slurry-handling equipment and the design of the crystallizer and stripper were addressed through consultation with vendors and engineering analyses. A process flow diagram of the Hot-CAP was then developed and a TEA was performed to compare the energy use and cost performance of a nominal 550-MWe subcritical pulverized coal (PC)-fired power plant without CO 2 capture (DOE/NETL Case 9) with the benchmark MEA-based post-combustion CO 2 capture (PCC; DOE/NETL Case 10) and the Hot-CAP-based PCC. The results revealed that the net power produced in the PC + Hot-CAP is 609 MWe, greater than the PC + MEA (550 MWe). The 20-year levelized cost of electricity (LCOE) for the PC + Hot-CAP, including CO 2 transportation and storage, is 120.3 mills/kWh, a 60% increase over the base PC plant without CO 2 capture. The LCOE increase for the Hot-CAP is 29% lower than that for MEA. TEA results demonstrated that the Hot-CAP is energy-efficient and cost-effective compared with the benchmark MEA process.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Simulation of Coupled Processes of Flow, Transport, and Storage of CO 2 in Saline Aquifers

This report is the final scientific one for the award DE- FE0000988 entitled “Simulation of Coupled Processes of Flow, Transport, and Storage of CO 2 in Saline Aquifers.” The work has been divided into six tasks. In task, “Development of a Three-Phase Non-Isothermal CO 2 Flow Module,” we developed a fluid property module for brine-CO 2 mixtures designed to handle all possible phase combinations of aqueous phase, sub-critical liquid and gaseous CO 2 , supercritical CO 2 , and solid salt. The thermodynamic and thermophysical properties of brine-CO 2 mixtures (density, viscosity, and specific enthalpy of fluid phases; partitioning of mass components among the different phases) use the same correlations as an earlier fluid property module that does not distinguish between gaseous and liquid CO 2 -rich phases. We verified the fluid property module using two leakage scenarios, one that involves CO 2 migration up a blind fault and subsequent accumulation in a secondary “parasitic” reservoir at shallower depth, and another investigating leakage of CO 2 from a deep storage reservoir along a vertical fault zone. In task, “Development of a Rock Mechanical Module,” we developed a massively parallel reservoir simulator for modeling THM processes in porous media brine aquifers. We derived, from the fundamental equations describing deformation of porous elastic media, a momentum conservation equation relating mean stress, pressure, and temperature, and incorporated it alongside the mass and energy conservation equations from the TOUGH2 formulation, the starting point for the simulator. In addition, rock properties, namely permeability and porosity, are functions of effective stress and other variables that are obtained from the literature. We verified the simulator formulation and numerical implementation using analytical solutions and example problems from the literature. For the former, we matched a one-dimensional consolidation problem and a two-dimensional simulation of the Mandel-Cryer effect. For the latter, we obtained a good match of temperature and gas saturation profiles, and surface uplift, after injection of hot fluid into a model of a caldera structure. In task, “Incorporation of Geochemical Reactions of Selected Important Species,” we developed a novel mathematical model of THMC processes in porous and fractured saline aquifers, simulating geo-chemical reactions associated with CO 2 sequestration in saline aquifers. Two computational frameworks, sequentially coupled and fully coupled, were used to simulate the reactions and transport. We verified capabilities of the THMC model to treat complex THMC processes during CO 2 sequestration by analytical solutions and we constructed reactive transport models to analyze the THMC process quantitatively. Three of these are 1D reactive transport under chemical equilibrium, a batch reaction model with equilibrium chemical reactions, and a THMC model with CO 2 dissolution. In task “Study of Instability in CO 2 Dissolution-Diffusion-Convection Processes,” We reviewed literature related to the study of density driven convective flows and on the instability of CO 2 dissolution-diffusion-convection processes. We ran simulations that model the density-driven flow instability that would occur during CO 2 sequestration. CO 2 diffused through the top of the system and dissolved in the aqueous phase there, increasing its density. Density fingers formed along the top boundary, and coalesced into a few prominent ones, causing convective flow that forced the fluid to the system bottom. These simulations were in two and three dimensions. We ran additional simulations of convective mixing with density contrast caused by variable dissolved CO 2 concentration in saline water, modeled after laboratory experiments in which supercritical CO2 was circulated in the headspace above a brine saturated packed sand in a pressure vessel. As CO 2 dissolved into the upper part of the saturated sand, liquid phase density increases causing instability and setting off convective mixing. We obtained good agreement with the laboratory experiments, which were characterized by finger development and associated mixing of dissolved CO 2 into the system. We then varied a wide range of parameters and conceptual models in order to analyze the possibility of convective mixing under different conditions, such as various boundary conditions, and chemical reaction conditions. The CO 2 fingers from different simulations showed great differences as time progressed, caused by permeability heterogeneity. The early time diffusive phenomenon was captured by fine grid resolution, and the permeability heterogeneity affected the pattern of the CO 2 fingers. In addition, the fingers from three-dimensional simulations tended to be larger and flatter than the two-dimensional ones. In task “Implementation of Efficient Parallel Computing Technologies,” we made enhancements and modifications to our code in order to substantially increase the grid size that could be run. We installed and ran it on various platforms, including a multi-core PC and a cluster, and verified the numerical implementation and parallel code using an example problem from the literature. This problem, with a grid size of sixty million, utilized the cluster’s entire memory and all of its processors. In task “Implementation of General Fracture Conceptual Models,” we used the MINC approach, a generalization of the double-porosity concept, to model flow through porous and fractured media. In this approach, flow within the matrix is described by subdividing the matrix into nested volumes, with flow occurring between adjacent nested matrix volumes as well as between the fractures and the outer matrix volume. We generalized Hooke’s law to a thermo-multi- poroelastic medium, and derived from the fundamental equations describing deformation of porous and fractured elastic media a momentum conservation equation for thermo-multi- poroelastic media. This equation is a generalization to multi-poroelastic media of the one derived in Task 3.0 for single porosity media. We describe two simulations to provide model verification and application examples. The first, one-dimensional consolidation of a double-porosity medium, is compared to an analytical solution. The second is a match of published results from the literature, a simulation of CO 2 injection into hypothetical aquifer-caprock systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Actinide Removal Process October 2014 Sample Analysis

Filtration within the Actinide Removal Process (ARP) currently limits the throughput in interim salt processing at the Savannah River Site. In this process, batches of salt solution with Monosodium Titanate (MST) sorbent are concentrated by crossflow filtration. The filtrate is subsequently processed to remove cesium in the Modular Caustic Side Solvent Extraction Unit (MCU) followed by disposal in saltstone grout. The concentrated MST slurry is washed and sent to the Defense Waste Processing Facility (DWPF) for vitrification. During past ARP processing, there has been a degradation of filter performance manifested as the inability to maintain high filtrate flux throughout a multi-batch cycles during Salt Batches 6, 5 and 4. The objectives of the current effort for Salt Batch 7 samples, which are similar to the most recent ARP sample analysis from 2013, were to characterize the feed streams, to determine if solids (in addition to MST) are precipitating and causing the degraded performance of the filters, and to assess the particle size and rheological data to address potential filtration impacts. The samples from the LWPT and LWHT were obtained from several stages of processing of Salt Batch 7B, Cycle 1, Batch 67.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Proposal to support the 4th international conference on nitrification and related processes (ICoN4)

The 4th International Conference on Nitrification and Related Processes (ICoN4) commencing between June 27 and July 1, 2015, at the University of Alberta in Edmonton, Alberta, Canada brings together an international collection of academic, government, and private sector researchers of the global biogeochemical nitrogen cycle to share their scientific discoveries, innovations and pertinent societal impacts. The classical understanding of “nitrification” describes the two-step transformation of ammonium to nitrite and nitrite to nitrate; however, we now know from the analysis genome sequences, the application of ‘omics technologies, microbial ecology, biogeochemistry, and microbial physiology that the transformation of ammonium is not performed by a few particular groups of microorganisms nor is it confined to oxic environments. Past ICoN meetings have explored the interconnections between ammonium- and nitrite-consuming processes in all ecosystems, the emission of greenhouse gases by these processes and their control, and the intersection between intermediates of the nitrification process and other elemental cycles; this has generated tremendous progress in our understanding of the global nitrogen cycle and it has generated excitement in the next generation of N cycle researchers. Nitrification research has a long-standing connection to the Community Science Program of the DOE. Between 1999 and 2001, the JGI generated the first genome sequence of an ammonia-oxidizing bacterium, Nitrosomonas europaea ATCC 19718, and it has subsequently sequenced, or is in the process of sequencing over 50 additional genomes from ammonia-oxidizing bacteria, nitrite-oxidizing bacteria, and ammonia-oxidizing archaea. Autotrophic ammonia- and nitrite-transforming microorganisms play also a critical role in carbon cycling and sequestration in nearly all ecosystems. Not only do they control the concentration and speciation of biologically available N to plants and other microorganisms, nitrification is also the source of the various forms of nitrogen pollution. Nitrate pollution from over-fertilization of managed soils causes eutrophication and the reduction of nitrate and nitrate also results in emission of N2O, a denitrification process that leads to the accumulation of this major greenhouse gas in the atmosphere. Anaerobic ammonia oxidation (anammox) and nitrite-driven anaerobic methane oxidation (n-DAMO) are involved in the transformation of ammonium, nitrite, and nitrate to dinitrogen without N2O as an intermediate, acting as mitigating processes to nitrification. Along with the vast international participation in the ICoN conferences, encouragement and inclusion of early career investigators and graduate students is viewed as critical to the continued success of our discipline.

42 ENGINEERING↗
DOE OSTI2017

Characterizing Organic Aerosol Processes and Climatically Relevant Properties via Advanced and Integrated Analyses of Aerosol Mass Spectrometry Datasets from DOE Campaigns and ACRF Measurements. Final report for DE-SC0007178

Organic aerosols (OA) are an important but poorly characterized component of the earth’s climate system. Enormous complexities commonly associated with OA composition and life cycle processes have significantly complicated the simulation and quantification of aerosol effects. To unravel these complexities and improve understanding of the properties, sources, formation, evolution processes, and radiative properties of atmospheric OA, we propose to perform advanced and integrated analyses of multiple DOE aerosol mass spectrometry datasets, including two high-resolution time-of-flight aerosol mass spectrometer (HR-AMS) datasets from intensive field campaigns on the aerosol life cycle and the Aerosol Chemical Speciation Monitor (ACSM) datasets from long-term routine measurement programs at ACRF sites. In this project, we will focus on 1) characterizing the chemical (i.e., composition, organic elemental ratios), physical (i.e., size distribution and volatility), and radiative (i.e., sub- and super-saturated growth) properties of organic aerosols, 2) examining the correlations of these properties with different source and process regimes (e.g., primary, secondary, urban, biogenic, biomass burning, marine, or mixtures), 3) quantifying the evolutions of these properties as a function of photochemical processing, 4) identifying and characterizing special cases for important processes such as SOA formation and new particle formation and growth, and 5) correlating size-resolved aerosol chemistry with measurements of radiative properties of aerosols to determine the climatically relevant properties of OA and characterize the relationship between these properties and processes of atmospheric aerosol organics. Our primary goal is to improve a process-level understanding of the life cycle of organic aerosols in the Earth’s atmosphere. We will also aim at bridging between observations and models via synthesizing and translating the results and insights generated from this research into data products and formulations that may be directly used to inform, improve, and evaluate regional and global models. In addition, we will continue our current very active collaborations with several modeling groups to enhance the use and interpretation of our data products. Overall, this research will contribute new data to improve quantification of the aerosol’s effects on climate and thus the achievement of ASR’s science goal of – “improving the fidelity and predictive capability of global climate models”.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Advanced Control Architecture and Sensor Information Development for Process Automation, Optimization, and Imaging of Chemical Looping Systems

The Syngas Chemical Looping (SCL) process developed at The Ohio State University (OSU) uses an iron-based oxygen carrier to convert syngas into high-purity hydrogen while simultaneously capturing carbon dioxide that is readily sequestrable. A 25 kWth sub-pilot unit was successfully demonstrated multiple times on the OSU Clean Coal Research Facility, and a 250 kWth – 3 MWth pilot demonstration unit has been designed and constructed at the National Carbon Capture Center (NCCC) in Wilsonville, Alabama. The focus of this project is to develop multiple technologies to automate the startup and shutdown of chemical looping system. Success of this project will propel the advanced carbon capture method toward commercialization, hence be disruptive to the fossil fuel and power industries. Advanced process automation control architecture and imaging and optimization sensor software were developed for OSU chemical looping process. A high-level controller (HLC) consisting of decision-making and controller-selection logic integrated with sliding mode controllers (SMCs) were developed to perform chemical looping process startup and shutdown. Babcock & Wilcox Power Generation Group’s FocalPoint Optimization System was implemented to optimize the process operating conditions. The process automation controller and optimization information were realized and tested on OSU’s existing sub-pilot chemical looping test unit under atmospheric condition. The implemented control architecture was able to perform the complete process procedure from startup, steady-state reaction operation to shutdown with minimal operator intervention. The controller was also implemented on the pressurized syngas chemical looping (SCL) pilot test unit constructed at the National Carbon Capture Center (NCCC), demonstrating its pressure control capability with a designed transient state trajectory. An electrical capacitance volume tomography (ECVT) sensor device and its software were developed to image the packed moving bed and slugging fluidized bed of oxygen carriers in chemical looping systems at elevated temperatures. The ECVT device constructed was capable of tracking the subtle voidage variance along the moving bed axis as a feature for directly measuring the oxygen carrier particles’ linear velocity. Also, the high temperature ECVT device was used to study the fluidization characteristics of Geldart Group D particles.

08 HYDROGEN↗
DOE OSTI2018

Validation and optimization of batch and continuous particle separation processes

Recent advances in simulation capabilities coupled with advanced manufacturing can be leveraged to create highly efficient compact reactors with low emissions, low cost, high reliability, and high flexibility for energy conversion. This type of reactor is especially important for conversion of bio-mass, a storable, renewable and fast-growing energy source, considering the distributed nature of raw material and cost of biomass collection and transportation. To achieve this goal, it is critical to developing new process technologies that are significantly more efficient than traditional processes for which the added manufacture provides a fast way of realization and evaluation. Based upon the flagship MFiX multiphase computational fluid dynamic software suite, NETL has developed an Optimization Toolset to facilitate the CFD simulation based reactor design and optimization, and process intensification. This technical report presents the recent development and application of the Optimization Toolset and the framework for process optimization of particle separation in batch and continuous processes. In these processes, a fluidized bed reactor under proper operating condition was used to separate particles of different physical properties. MFiX-DEM simulations were conducted for a batch system to simulate the process covering a wide range of superficial gas velocities from which the optimal operational parameter can be determined through analyzing the system response. After successful demonstration of the framework, a continuous system for particle separation was designed based on CFD simulations. Similar optimization exercises were conducted for the continuous particle separation considering multiple operating parameters. The design was then fabricated in the laboratory through 3D printing for testing. The particle separation performance was carefully measured through high-speed video for particle tracking. Quantitative comparison between numerical results and experimental measurements were conducted for confirmation and validation.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2016

Process Modeling for Additive Manufacturing

Additive Manufacturing (AM) provides a new avenue to design innovative materials and components that cannot be created using traditional machining operations. With current AM capabilities, complex designs (such as those required in weapon systems) can be readily manufactured with laser powder forming (or Laser-Engineered Net Shaping (LENSTM)) [1] that would be otherwise cost prohibitive or impossible to produce. However, before an AM product can be qualified for weapon applications, the characteristics of the metals produced by additive manufacturing processes need to be well understood. This work focuses on the development of computational simulation tools to model the metal additive manufacturing process. This work extends and integrates existing Sandia National Laboratories tools to accomplish the following: (i) be able to better predict residual stresses in AM product, (ii) extend high-fidelity material models to capture material evolution during the formation process, leading to prediction of end-state material properties, and (iii) provide a basis for engineering tools to propose improvements to additive manufacturing process variables, including those that minimize process variation. While this work in its current state is directly applicable to additive manufacturing processes, the tools developed may also help enable modeling welding processes such as gas tungsten arc (GTA), electron beam, and laser welding.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2016

Vertical Testing of Eco-Friendly Bipolar Electromechanical Bulk Processing of SRF Cavities

Fermilab will provide a single-cell 1.3 GHz RF cavity and niobium coupons for Faraday Technology to use to develop the bulk bi-polar electropolishing process. The RF cavity will remain Fermilab property. Phase I will first demonstrate the feasibility of the process on coupons to optimize Bipolar EP process parameters to achieve niobium removal rates that are compatible with bulk processing throughput rates, while maintaining desired surface finishes. Subsequently in Phase I, we will transition the Bipolar EP process from coupons to bulk processing of single-cell cavities, while maintaining the desired removal rates. The project team will determine the performance effect of the Bipolar EP Bulk Process via cavity testing, and develop a preliminary economic analysis showing the commercial viability of the technology as compared to conventional practice. Under this CRADA, Fermilab provided a 1.3 GHz RF cavity to Faraday Technology to use for acid-free electropolishing studies. The original scope of work provided for up to two tests of the electropolished cavity in Fermilab’s Vertical Test Stand (VTS).

43 PARTICLE ACCELERATORS↗