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At least 19 records

Purdue University Application Deep Dive

In May 2019, staff members from the Engagement and Performance Operations Center (EPOC) met with researchers at Purdue University for the purpose of a campus-wide Application Deep Dive. The goal of this meeting was to help characterize the requirements for two research labs on campus, and to enable cyberinfrastructure support staff to better understand the needs of the researchers they support. Material for this report includes both written documentation from the 2nd Annual Symposium for Research Data Technology at Purdue University, but also a writeup of the discussion that took place in person on May 31st, 2019. The Case Studies highlighted the ongoing challenges that Purdue University has in supporting aspects of the research community that are relatively new to the available technology support structures.

99 GENERAL AND MISCELLANEOUS↗

Energy-Efficiency & Water Institute Research Facility, Purdue University, (IN)

The renovation of the Schneider Avenue Building to construct two research laboratories within the building is complete. The research laboratories are for the Purdue Calumet Water Institute and the Energy Efficiency and Reliability Center. The Water Institute occupies approximately 1000+ SF of research space plus supporting offices. The Energy-Efficiency Center occupies approximately 1000+ SF that houses the research space. The labs will enhance the Water & Energy Institute’s research capabilities necessary to tackle these issues through the development of practical approaches critical to local government and industry. The addition of these research laboratories to the Purdue University Calumet campus is in both direct support of the University’s Strategic Plan as well as the 2008 Campus Master Plan that identifies a 20% shortage of research space.

54 ENVIRONMENTAL SCIENCES↗

Purdue University: Results of B-Value Tests for Rock Saturation

This dataset includes an Excel file with the results of B-value tests to determine the magnitude of the back pressure required for full saturation of Sierra White granite samples. Test were conducted on cylindrical rock specimens of Sierra White granite in a custom water pressurized chamber. Dimensions and properties of Sierra White granite specimens are summarized in the PDF file. The PDF file also includes a description of the B-value tests, experimental procedure, and results.

15 GEOTHERMAL ENERGY↗

Predictive Engineering Tools for Injection-Molded Long-Carbon-Fiber Thermoplastic Composites. Topical Report

This project aimed to integrate, optimize, and validate the fiber orientation and length distribution models previously developed and implemented in the Autodesk® Simulation Moldflow® Insight (ASMI) software package for injection-molded long-carbon-fiber (LCF) thermoplastic composite structures. The project was organized into two phases. Phase 1 demonstrated the ability of the advanced ASMI package to predict fiber orientation and length distributions in LCF/polypropylene (PP) and LCF/polyamide-6, 6 (PA66) plaques within 15% of experimental results. Phase 2 validated the advanced ASMI package by predicting fiber orientation and length distributions within 15% of experimental results for a complex three-dimensional (3D) Toyota automotive part injection-molded from LCF/PP and LCF/PA66 materials. Work under Phase 2 also included estimate of weight savings and cost impacts for a vehicle system using ASMI and structural analyses of the complex part. The present report summarizes the completion of Phases 1 and 2 work activities and accomplishments achieved by the team comprising Pacific Northwest National Laboratory (PNNL); Purdue University (Purdue); Virginia Polytechnic Institute and State University (Virginia Tech); Autodesk, Inc. (Autodesk); PlastiComp, Inc. (PlastiComp); Toyota Research Institute North America (Toyota); Magna Exteriors and Interiors Corp. (Magna); and University of Illinois. Figure 1 illustrates the technical approach adopted in this project that progressed from compounding LCF/PP and LCF/PA66 materials, to process model improvement and implementation, to molding and modeling LCF/PP and LCF/PA66 plaques. The lessons learned from the plaque study and the successful validation of improved process models for fiber orientation and length distributions for these plaques enabled the project to go to Phase 2 to mold, model, and optimize the 3D complex part.

42 ENGINEERING↗

Conference for Undergraduate Women in Physics

This funding supported the Northeast Conference for Undergraduate Women in Physics held January 14-16, 2011 in Cambridge, MA. This conference was one of four simultaneous conferences nationwide (the others held at North Carolina State University, Purdue University and the University of Southern California) whose goal is to help undergraduate women continue in physics by providing them with the opportunity to experience a professional conference, information about graduate school and professions in physics, and access to other women in physics of all ages with whom they can share experiences, advice, and ideas. Both men and women attended and benefitted from research talks by faculty, panel discussions about graduate school and careers in physics and related areas, laboratory tours, student research talks and poster presentations, and networking among students and between students and faculty.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Novel Functionally Graded Thermal Barrier Coatings in Coal-Fired Power Plant Turbines

This project presents a detailed investigation of a novel functionally graded coating material, pyrochlore oxide, for thermal barrier coating (TBC) in gas turbines used in coal-fired power plants. Thermal barrier coatings are refractory materials deposited on gas turbine components, which provide thermal protection for metallic components at operating conditions. The ultimate goal of this research is to develop a manufacturing process to produce the novel low thermal conductivity and high thermal stability pyrochlore oxide based coatings with improved high-temperature durability. The current standard TBC, yttria stabilized zirconia (YSZ), has service temperatures limited to <1200°C, due to sintering and phase transition at higher temperatures. In contrast, pyrochlore oxide, e.g., lanthanum zirconate (La 2 Zr 2 O 7 , LZ), has demonstrated lower thermal conductivity and better thermal stability, which are crucial to high temperature applications, such as gas turbines used in coal-fired power plants. Indiana University – Purdue University Indianapolis (IUPUI) has collaborated with Praxair Surface Technologies (PST), and Changwon National University in South Korea to perform the proposed research. The research findings are critical to the extension of current TBCs to a broader range of high-temperature materials and applications. Several tasks were originally proposed and accomplished, with additional new opportunities identified during the course of the project. In this report, a description of the project tasks, the main findings and conclusions are given. A list of publications and presentations resulted from this research is listed in the Appendix at the end of the report.

20 FOSSIL-FUELED POWER PLANTS↗

Development of Corrosion- and Erosion-Resistant Coatings for Advanced Ultra-Supercritical Materials

This final report summarized the research efforts and major findings of the Phase I Project “Development of Corrosion- and Erosion-Resistant Coatings for Advanced Ultra-Supercritical Materials”, for the period of October 1, 2019 – Sept. 30, 2021. This project is a collaborative endeavor between Tennessee Tech University, Purdue University, Oak Ridge National Laboratory, Siemens Corporation, and Eastern Plating, LLC, aiming at improving the durability and lifetime of high-pressure (HP) steam turbine blades in advanced ultra-supercritical (A-USC) coal-fired power plants through the development of corrosion/erosion-resistant coatings manufactured via a low-cost electrolytic codeposition process. While Tribaloy alloy T-400C was identified by the U.S. A-USC Materials Consortium as a promising coating composition, further composition optimization is needed to enhance its corrosion and erosion resistance for protecting the A-USC Ni-base turbine components. An integrated computational and experimental approach was employed to optimize coating composition/microstructure and processing parameters. In order to identify candidate coating compositions that could offer balanced properties, thermodynamic calculations were performed to explore the γ+Laves composition space in the Co-Ni-Cr-Mo-Si system with different alloying additions at 600-800 °C. Guided by the calculation results, experimental assessment of selected alloys led to the development of a new generation of Tribaloy compositions with the optimal levels of Cr, Mo and Si, reactive element (e.g., 0.4-0.6 wt.% Y) and other alloying additions. The low-cost and non-line-of-sight electro-codeposition process was employed to deposit a Ni(Co)-CrMoSiY composite coating on commercial Haynes 282 (H282) Ni-base alloy. A diffusion treatment was subsequently applied to convert the composite to the Tribaloy-type coating. Both the codeposition parameters and heat treatment conditions were varied to achieve the desired coating composition, microstructure and phase constituents. In addition, since additive manufacturing (AM) may be an alternative cost-saving option for potential A-USC turbine repair, laser direct deposition was explored to fabricate the H282 alloy with minimal defects. The electro-codeposited Tribaloy coating was also applied to the AM H282 substrate to demonstrate the viability of the coating process in improving the surface finish of AM alloys. Both high-temperature oxidation performance and solid particle erosion (SPE) resistance of model alloys and electro-codeposited coatings were evaluated. About 25 model alloys with various Cr/Mo ratios and reactive element levels, as well as partial substitution of Mo with Nb were evaluated with regard to their oxidation resistance in both air and pure steam at 760-800°C. Compositions based on Ni(Co)-20Cr-18Mo-2.6Si-0.6Y (wt.%) showed significantly improved oxidation resistance over the baseline T400-C. Based on the alloy development results, three generations of new Tribaloy coatings (Gen-1, Gen-2, and Gen-3) with various Mo/Cr contents and Y levels were prepared via electro-codeposition and their microstructure/performance were evaluated. Outstanding air and steam oxidation resistance was achieved for the Gen-2 and Gen-3 coatings. Furthermore, while the SPE resistance of the coatings depended on many factors such as temperature, environment, erodent, velocity and impact angle, the coated samples exhibited similar or better SPE resistance compared to the H282 substrate when magnetite was used as erodent (which is a realistic erodent in A-USC steam turbines). The new Tribaloy coatings also had good long-term compatibility with the H282 alloy substrate. The two large-sized rotating barrels were designed, constructed, and employed to coat dummy HP blades. Uniform coating thickness and microstructure were achieved at various blade locations. Also, a preliminary techno-economic analysis of the proposed coating process was conducted to quantify the cost-effectiveness and to assess the commercial viability of the corrosion- and erosion-resistant coatings. It is estimated that a cost reduction of ~30% could be achieved with the electro-codeposition coating process over the state-of-the-art high velocity oxygen fuel (HVOF) thermal spray. Compared to the leading Tribaloy coating technologies such as HVOF and plasma transfer alloying, electro-codeposition based process has advantages such as low-cost process equipment, uniform deposition even for complex shapes, low levels of contaminants/porosities, reduction of powder waste, and potentially better surface finish and longer turbine service life. The Phase 1 study has demonstrated that it is feasible to develop an electro-codeposited Tribaloy coating with balanced corrosion and erosion properties, even though additional research efforts such as further coating process scale-up and longer-term performance evaluation under realistic A-USC conditions are clearly needed.

20 FOSSIL-FUELED POWER PLANTS↗

Optimization and Physics Informed AI/ML on the Cooling Tower Power Output and the One-Dimensional Model

Graduate Research at Missouri S&T Thesis: Theoretical Study of Magnetic Particles in a Shear Flow Subjected to a Uniform Magnetic Field. • Published several journal articles. • Presented at the Indiana University Purdue University Indianapolis graduate seminar. • Presented research findings at American Physical Society: Division of Fluid Dynamics and poster sessions at Missouri S&T for the Chancellor's Distinguished Fellowship.

Sobecki, Christopher A.↗

Investigation of Energy Efficient Retrofit HVAC Systems for a University: Case Study

We did energy efficient retrofits for the Indiana University Purdue University—Indianapolis Health Science Building using the eQuest energy software. The current dual-fan dual-duct (DFDD) system is 41 years old and has a higher energy utilization index (EUI) than the national average for similar building types. The baseline model with the DFDD system was compared with the actual electrical consumption. Then, two energy efficiency measures (EEMs) were applied to the model. The first EEM was ‘DFDD system with chilled water and steam heating,’ and the second EEM was ‘single-duct variable air volume (VAV) with chilled water and electric reheat.’ After comparative simulations and analyses, it was determined that the ‘single duct VAV with chilled water and electric reheat’ was the most energy efficient and saved 28% in utility costs. The recommendation given to the facility services was to change the current DFDD system to the single-duct VAV system. The single-duct VAV system will save energy and create additional space above the ceiling after the heating duct is removed.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Predictive Engineering Tools for Injection-Molded Long-Carbon-Fiber Thermoplastic Composites - FY 2014 Fourth Quarterly Report

During the last quarter of FY 2014, the following technical progress has been made toward project milestones: 1) Autodesk, Inc. (Autodesk) has implemented a new fiber length distribution (FLD) model based on an unbreakable length assumption with Reduced Order Modeling (ROM) by the Proper Orthogonal Decomposition (POD) approach in the mid-plane, dual-domain and 3D solvers. 2) Autodesk improved the ASMI 3D solver for fiber orientation prediction using the anisotropic rotary diffusion (ARD) – reduced strain closure (RSC) model. 3) Autodesk received consultant services from Prof. C.L. Tucker at the University of Illinois on numerical simulation of fiber orientation and fiber length. 4) PlastiComp, Inc. (PlastiComp) suggested to Purdue University a procedure for fiber separation using an inert-gas atmosphere in the burn-off furnace. 5) Purdue University (Purdue) hosted a face-to-face project review meeting at Purdue University on August 6-7, 2014. 6) Purdue conducted fiber orientation measurements for 3 PlastiComp plaques: fast-fill 30wt% LCF/PP edged-gated, slow-fill 50wt% LCF/PP edge-gated, and slow-fill 50wt% LCF/PP center-gated plaques, and delivered the orientation data for these plaques at the selected locations (named A, B, and C) to PNNL. 7) PNNL conducted ASMI mid-plane analyses for the above PlastiComp plaques and compared the predicted fiber orientations with the measured data provided by Purdue at Locations A, B, and C on these plaques. 8) PNNL planned the project review meeting (August 6-7, 2014) with Purdue. 9) PNNL performed ASMI analyses for the Toyota complex parts with and without ribs, having different wall thicknesses, and using the PlastiComp 50wt% LCF/PP, 50wt% LCF/PA66, 30wt% LCF/PP, and 30wt% LCF/PA66 materials to provide guidance for tool design and modifications needed for molding these parts. 10) Magna Exteriors and Interiors Corp. (Magna) molded plaques from the 50% LCF/PP and 50% LCF/PA66 materials received from Plasticomp in order to extract machine purgings (purge materials) from Magna’s 200-Ton Injection Molding machine targeted to mold the complex part. 11) Toyota and Magna discussed with PNNL tool modification for molding the complex part.

36 MATERIALS SCIENCE↗

T-1073: 2016 Precision Beam Timing Monitor

This is a technical scope of work (TSW) between the Fermi National Accelerator Laboratory (Fermilab) and the experimenters of Fermilab, Northern Illinois University (NIU), Lewis University, and Purdue University, who have committed to participate in beam tests to be carried out during the 2015-2016 Fermilab Test Beam Facility program. The TSW is intended primarily for the purpose of recording expectations for budget estimates and work allocations for Fermilab, the funding agencies and the participating institutions. It reflects an arrangement that currently is satisfactory to the parties; however, it is recognized and anticipated that changing circumstances of the evolving research program will necessitate revisions. The parties agree to modify this scope of work to reflect such required adjustments. Actual contractual obligations will be set forth in separate documents. This TSW fulfills Article 1 (facilities and scope of work) of the User Agreements signed (or still to be signed) by an authorized representative of each institution collaborating on this experiment.

43 PARTICLE ACCELERATORS↗

Next Generation Co-Molded One-Piece Automotive Parts

The purpose of this project was to determine the feasibility of co-molding Class A Sheet Molding Compound (SMC), structural SMC, and continuous fiber prepreg materials to produce a single piece co-molded automotive part, such as a hood. The combination of the three molding materials and the incorporation of selective design features (ribs, flanges, corrugations) was expected to eliminate the need for inner reinforcement panels, significantly reducing tooling costs and simplifying the manufacturing process. A multi-material solution would also result in significant weight savings. The scope of this project included the material characterization of the three materials, development of cure and flow simulation models, and validation of the models against parts molded with different combinations of the materials on an 11”x11” plaque tool with rib features. The intent of this project was to apply the learnings obtained from co-molding a part with simplified geometry to a Phase 2 project that would produce a single piece hood, co-molded with the same materials. Resins from INEOS Composites were provided to IDI to produce SMC and continuous fiber prepregs. Purdue University and INEOS Composites characterized the rheological and curing behavior of the different materials as well as the mechanical properties of the co-molded parts. This data was used by Purdue University to create simulation models. Models were created to predict both flow patterns and predict mechanical properties of different laminate constructions in and around the ribs. Michigan State University - Corktown validated Purdue’s models by co-molding the three materials in different combinations on a tool containing rib features provided by Century Tool. The co-molded parts were evaluated against the simulation models by Purdue, Corktown and INEOS. The project team demonstrated the following: • The ability to obtain a cohesive co-molded structure made up of Class A SMC, Structural SMC, and continuous fiber prepreg. • The ability to obtain a co-molded part with a Class A surface • Modeling of flow and fiber orientation • Modeling to predict mechanical properties of multi-material co-molded structures The predicted flow behavior and fiber orientation from simulations were then compared with the molded samples. Exact local orientation state was difficult to compare between microscopy and flow simulation, but captured general trends. Multi-material flow behavior was generally modeled well with SMC materials, but the introduction of woven material sheets requires further model development. Purdue compared the predicted versus actual mechanical properties, and INEOS Composites evaluated the surface appearance of unpainted and painted co-molded parts. The models developed by Purdue demonstrated that the mechanical properties can be predicted for parts with varying material configurations. The resulting models can be applied to future co-molded part design, tooling design, and molding conditions.

36 MATERIALS SCIENCE↗

Predictive Engineering Tools for Injection-Molded Long-Carbon-Fiber Thermoplastic Composites - Second FY 2015 Quarterly Report

During the second quarter of FY 2015, the following technical progress has been made toward project milestones: 1) Autodesk reviewed 3D fiber orientation distribution (FOD) comparisons and provided support on improving accuracy. 2) Autodesk reviewed fiber length distribution (FLD) data comparisons and provided suggestions, assisted PNNL in FOD and FLD parameter settings optimization, and advised PNNL on appropriate through thickness thermal conductivity for improved frozen layer effect on FOD predictions. Autodesk also participated in project review meetings including preparations and discussions towards passing the go/no-go decision point. 3) Autodesk implemented an improved FOD inlet profile specification method through the part thickness for 3D meshes and provided an updated ASMI research version to PNNL. 4) The University of Illinois (Prof. C.L. Tucker) provided Autodesk with ideas to improve fiber orientation modeling 5) Purdue University re-measured fiber orientation for the fast-fill 50wt% LCF/PA66 edge-gated plaque, and delivered the fiber orientation data for this plaque at the selected locations (named A, B, and C, Figure 1) to PNNL. Purdue also re-measured fiber orientation for locations A on the fast-fill 30wt% LCF/PP and 50wt% LCF/PA66 center-gated plaques, which exhibited anomalous fiber orientation behavior. 6) Purdue University conducted fiber length measurements and delivered the length data to PNNL for the purge materials (slow-fill 30wt% LCF/PP and 30wt% LCF/PA66 purge materials) and PlastiComp plaques selected on the go/no-go list for fiber length model validation (i.e., slow-fill edge-gated 30wt% LCF/PP and 30wt% LCF/PA66 plaques, Locations A, B, and C). 7) PNNL developed a method to recover intact carbon fibers from LCF/PA66 materials. Isolated fibers were shipped to Purdue for length distribution analysis. 8) PNNL completed ASMI mid-plane analyses for all the PlastiComp plaques defined on the go/no-go list for fiber orientation (FO) model validation and compared the predicted fiber orientations with the measured data provided by Purdue at Locations A, B, and C on these plaques. The 15% accuracy criterion based on evaluation of tensile and bending stiffness was used to assess the accuracy in fiber orientation predictions. 9) PNNL completed ASMI mid-plane analyses for all the PlastiComp plaques defined on the go/no-go list for fiber length distribution (FLD) model validation and compared the predicted length distributions with the measured data provided by Purdue at Locations A, B, and C on these plaques. The 15% accuracy criterion based on evaluation of tensile and bending stiffness was used to assess the accuracy in fiber orientation predictions. 10) PNNL tested the new ASMI version received from Autodesk in March 2015, examined and discussed 3D fiber orientation predictions for PlastiComp plaques. 11) PlastiComp, Inc. (PlastiComp), Toyota Research Institute North America (Toyota) and Magna Exteriors and Interiors Corporation (Magna) participated in discussions with team members on the go/no-go plan. Toyota continued the discussion with Magna on tool modification for molding the complex part in order to achieve the target fiber length in the part.

42 ENGINEERING↗

Understanding Impact of Local Heterogeneities During Fast Charge

Reducing battery charging time to 10 minutes would improve the market acceptance and utility of electric vehicles. Such a fast charge rate is difficult to achieve in energy-dense thick battery electrodes, however. In particular, fast charge can drive a lithium plating side reaction that is unsafe and degrades battery capacity. The onset of the lithium plating side reaction is accelerated due to non-uniformities, or heterogeneities that exist within the negative electrode active material particles, within the coating, and at larger battery length scales as well. This presentation summarizes fiscal year 2018-2019 work by NREL, Argonne National Laboratory and Purdue University in the atomistic modeling of Li transport within graphite and continuum modeling of electrochemical heterogeneities that cause early lithium plating onset. non-uniformities, or heterogeneities that exist within the negative electrode active material particles, within the coating, and at larger battery length scales as well. This presentation summarizes fiscal year 2018-2019 work by NREL, Argonne National Laboratory and Purdue University in the atomistic modeling of Li transport within graphite and continuum modeling of electrochemical heterogeneities that cause early lithium plating onset.

30 DIRECT ENERGY CONVERSION↗

Online Alpha Monitoring of High Cs-137 Hanford and SRS High Level Waste with Tensioned Metastable Fluid Detectors

The Department of Energy’s Hanford and Savannah River Sites maintain millions of gallons of caustic supernate and salt high activity waste in their high-level waste (HLW) tank farm inventories. The Savannah River Site is currently treating this waste with a calixarene-based solvent extraction of Cs-137 to reduce these inventories. Hanford is employing an at-tank crystalline silico titanate (CST) based solid phase extraction methodology to reduce their liquid HLW inventories. Due to the high solubility of Cs-137 and the relative insolubility of the actinides in these caustic waste forms, the beta to alpha radioactivity ratio can often exceed six orders of magnitude in the feed solutions to these treatment processes. This unique characteristic leads to significant technical challenges in making rapid gross alpha measurements in the presence of the overwhelming beta, gamma, as well as dissolved sodium salt in these HLW matrices. Conventional radioanalytical techniques, such as liquid scintillation analysis or gas flow proportional counting require significant radiochemistry preparation prior to the radiometric measurements for gross alpha activity. These required pretreatments render these technologies untenable for rapid quantification of gross alpha activity that could be required to support on or at-line measurements ensuring a waste stream will meet regulatory requirements. The radiation measurement properties of Tensioned Metastable Fluid Detectors (TMFDs) have been studied by Purdue University’s Taleyarkhan research group for well over a decade. Fluids tensioned to the appropriate degree will rupture when struck by radiation, resulting in a measurable cavitation event. The negative pressure generating this tension can be adjusted by centrifugal rotation or by acoustic means in such a way that these cavitation events can be generated from alpha radiation but will not be generated by beta or gamma radiation. Purdue University and the Savannah River National Laboratory are currently collaborating to develop a gamma/beta blind, spectroscopic alpha measurement system based on the Tensioned Metastable Fluid Detector technology to provide a potential solution for performing rapid gross alpha measurements on these high gamma/beta sample matrices. Measurements using the Indirect Drive Acoustically Tensioned Metastable Fluid Detectors developed as part of this collaboration were performed with an alpha emitting radionuclide. Successful determination of gross alpha activity was observed, indicating a potential pathway for rapid gross alpha measurements in remote-handled shielded cells or in process situations requiring online alpha monitoring. Measurements using this system have been conducted on high beta activity solutions, demonstrating the beta blind capability of this system. Measurements are currently underway to test the system’s capability to measure gross alpha activity on Savannah River Site high level waste high Cs-137 samples that have been measured by the SRNL radiochemistry team. This work was supported by the DOE EM Technology Development program.

DiPrete, David [Savannah River National Laboratory↗