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DOE OSTI2015

SU-E-T-333: Dosimetric Impact of Rotational Error On the Target Coverage in IMPT Lung Cancer Plans

Purpose: The main purpose of this study was to investigate the impact of rotational (yaw, roll, and pitch) error on the planning target volume (PTV) coverage in lung cancer plans generated by intensity modulated proton therapy (IMPT). Methods: In this retrospective study, computed tomography (CT) dataset of previously treated lung case was used. IMPT plan were generated on the original CT dataset using left-lateral (LL) and posterior-anterior (PA) beams for a total dose of 74 Gy[RBE] with 2 Gy[RBE] per fraction. In order to investigate the dosimetric impact of rotational error, 12 new CT datasets were generated by re-sampling the original CT dataset for rotational (roll, yaw, and pitch) angles ranged from −5° to +5°, with an increment of 2.5°. A total of 12 new IMPT plans were generated based on the re-sampled CT datasets using beam parameters identical to the ones in the original IMPT plan. All treatment plans were generated in XiO treatment planning system. The PTV coverage (i.e., dose received by 95% of the PTV volume, D95) in new IMPT plans were then compared with the PTV coverage in the original IMPT plan. Results: Rotational errors caused the reduction in the PTV coverage in all 12 new IMPT plans when compared to the original IMPT lung plan. Specifically, the PTV coverage was reduced by 4.94% to 50.51% for yaw, by 4.04% to 23.74% for roll, and by 5.21% to 46.88% for pitch errors. Conclusion: Unacceptable dosimetric results were observed in new IMPT plans as the PTV coverage was reduced by up to 26.87% and 50.51% for rotational error of 2.5° and 5°, respectively. Further investigation is underway in evaluating the PTV coverage loss in the IMPT lung cancer plans for smaller rotational angle change.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Spatial and rotational quality assurance of 6DOF patient tracking systems

Purpose: External tracking systems used for patient positioning and motion monitoring during radiotherapy are now capable of detecting both translations and rotations. In this work, the authors develop a novel technique to evaluate the 6 degree of freedom 6(DOF) (translations and rotations) performance of external motion tracking systems. The authors apply this methodology to an infrared marker tracking system and two 3D optical surface mapping systems in a common tumor 6DOF workspace. Methods: An in-house designed and built 6DOF parallel kinematics robotic motion phantom was used to perform motions with sub-millimeter and subdegree accuracy in a 6DOF workspace. An infrared marker tracking system was first used to validate a calibration algorithm which associates the motion phantom coordinate frame to the camera frame. The 6DOF positions of the mobile robotic system in this space were then tracked and recorded independently by an optical surface tracking system after a cranial phantom was rigidly fixed to the moveable platform of the robotic stage. The calibration methodology was first employed, followed by a comprehensive 6DOF trajectory evaluation, which spanned a full range of positions and orientations in a 20 × 20 × 16 mm and 5° × 5° × 5° workspace. The intended input motions were compared to the calibrated 6DOF measured points. Results: The technique found the accuracy of the infrared (IR) marker tracking system to have maximal root-mean square error (RMSE) values of 0.18, 0.25, 0.07 mm, 0.05°, 0.05°, and 0.09° in left–right (LR), superior–inferior (SI), anterior–posterior (AP), pitch, roll, and yaw, respectively, comparing the intended 6DOF position and the measured position by the IR camera. Similarly, the 6DOF RSME discrepancy for the HD optical surface tracker yielded maximal values of 0.46, 0.60, 0.54 mm, 0.06°, 0.11°, and 0.08° in LR, SI, AP, pitch, roll, and yaw, respectively, over the same 6DOF evaluative workspace. An earlier generation 3D optical surface tracking unit was observed to have worse tracking capabilities than both the IR camera unit and the newer 3D surface tracking system with maximal RMSE of 0.69, 0.74, 0.47 mm, 0.28°, 0.19°, and 0.18°, in LR, SI, AP, pitch, roll, and yaw, respectively, in the same 6DOF evaluation space. Conclusions: The proposed technique was found to be effective at evaluating the performance of 6DOF patient tracking systems. All observed optical tracking systems were found to exhibit tracking capabilities at the sub-millimeter and subdegree level within a 6DOF workspace.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

SU-F-J-24: Setup Uncertainty and Margin of the ExacTrac 6D Image Guide System for Patients with Brain Tumors

Purpose: This study evaluated the setup uncertainties for brain sites when using BrainLAB’s ExacTrac X-ray 6D system for daily pretreatment to determine the optimal planning target volume (PTV) margin. Methods: Between August 2012 and April 2015, 28 patients with brain tumors were treated by daily image-guided radiotherapy using the BrainLAB ExacTrac 6D image guidance system of the Novalis-Tx linear accelerator. DUONTM (Orfit Industries, Wijnegem, Belgium) masks were used to fix the head. The radiotherapy was fractionated into 27–33 treatments. In total, 844 image verifications were performed for 28 patients and used for the analysis. The setup corrections along with the systematic and random errors were analyzed for six degrees of freedom in the translational (lateral, longitudinal, and vertical) and rotational (pitch, roll, and yaw) dimensions. Results: Optimal PTV margins were calculated based on van Herk et al.’s [margin recipe = 2.5∑ + 0.7σ − 3 mm] and Stroom et al.’s [margin recipe = 2∑ + 0.7σ] formulas. The systematic errors (∑) were 0.72, 1.57, and 0.97 mm in the lateral, longitudinal, and vertical translational dimensions, respectively, and 0.72°, 0.87°, and 0.83° in the pitch, roll, and yaw rotational dimensions, respectively. The random errors (σ) were 0.31, 0.46, and 0.54 mm in the lateral, longitudinal, and vertical rotational dimensions, respectively, and 0.28°, 0.24°, and 0.31° in the pitch, roll, and yaw rotational dimensions, respectively. According to van Herk et al.’s and Stroom et al.’s recipes, the recommended lateral PTV margins were 0.97 and 1.66 mm, respectively; the longitudinal margins were 1.26 and 3.47 mm, respectively; and the vertical margins were 0.21 and 2.31 mm, respectively. Conclusion: Therefore, daily setup verifications using the BrainLAB ExacTrac 6D image guide system are very useful for evaluating the setup uncertainties and determining the setup margin.∑σ.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

SU-F-J-40: Evaluation of Sensitivity of the Automatic Matching Between Cone-Beam CT Image and Simulation CT Image in TrueBeam 2.0 Imaging System 6DoF Considering Different Uncertainty Sources

Purpose: To estimate the sensitivity of TrueBeam 2.0 Imaging System 6DoF automatic matching tool through the acquisition of cone-beam CT images in different phantoms applying submillimeter translations and rotations of tenths of a degree and registered with image simulation CT. Methods: To evaluate overall system-wide image, we consider two uncertainties source; First, the uncertainty of the manual phantom displacement (ε-m). This uncertainty is calculated by a digital caliper (0.01 mm) for vertical (Vrt), lateral (Lat) and longitudinal (Lng). A digital inclinometer (0.01°) for the pitch and roll and the own phantom scale to evaluate the coordinate rotation (Rtn). The second uncertainty is the displacement detected by the algorithm system of matching (σ-d) that we obtain from the standard deviations of the different measurements. We use three different phantoms. The BrainLab Radiosurgery system for supporting masks with an anthropomorphic dummy adapted to allow displacements of 0.1 mm in Vrt, Lat and Lng dimensions and rotations of 0.1° in Pitch dimension. For the analysis of the Rtn and Roll dimensions we use two homemade phantoms (RinoRot and RinoRoll, La Fe Hospital, Valencia, Spain) that allow rotations of 0.3°. Results: In the case of manual displacement of 0.10 ± 0.03 mm in the translations, the system detect 0.10 ± 0.07 mm, 0.12 ± 0.07 mm and 0.13 ± 0.07 mm (mean ± SD) in Lat, Vrt and Lng respectively. In the case of rotational dimension, manual displacement of 0.3 ± 0.1° was detected with 0.19 ± 0.06°, 0.29 ± 0.03° and 0.27 ± 0.06° in Pitch, Roll and Rtn. Conclusion: We conclude that the sensitivity of the automatic matching system is within 0.10 mm in translations and 0.3° in rotations. These values are under the own sensitivity of the software.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

SU-F-T-188: A Robust Treatment Planning Technique for Proton Pencil Beam Scanning Cranial Spinal Irradiation

Purpose: To propose a proton pencil beam scanning (PBS) cranial spinal irradiation (CSI) treatment planning technique robust against patient roll, isocenter offset and proton range uncertainty. Method: Proton PBS plans were created (Eclipse V11) for three previously treated CSI patients to 36 Gy (1.8 Gy/fractions). The target volume was separated into three regions: brain, upper spine and lower spine. One posterior-anterior (PA) beam was used for each spine region, and two posterior-oblique beams (15° apart from PA direction, denoted as 2PO-15) for the brain region. For comparison, another plan using one PA beam for the brain target (denoted as 1PA) was created. Using the same optimization objectives, 98% CTV was optimized to receive the prescription dose. To evaluate plan robustness against patient roll, the gantry angle was increased by 3° and dose was recalculated without changing the proton spot weights. On the re-calculated plan, doses were then calculated using 12 scenarios that are combinations of isocenter shift (±3mm in X, Y, and Z directions) and proton range variation (±3.5%). The worst-case-scenario (WCS) brain CTV dosimetric metrics were compared to the nominal plan. Results: For both beam arrangements, the brain field(s) and upper-spine field overlap in the T2–T5 region depending on patient anatomy. The maximum monitor unit per spot were 48.7%, 47.2%, and 40.0% higher for 1PA plans than 2PO-15 plans for the three patients. The 2PO-15 plans have better dose conformity. At the same level of CTV coverage, the 2PO-15 plans have lower maximum dose and higher minimum dose to the CTV. The 2PO-15 plans also showed lower WCS maximum dose to CTV, while the WCS minimum dose to CTV were comparable between the two techniques. Conclusion: Our method of using two posterior-oblique beams for brain target provides improved dose conformity and homogeneity, and plan robustness including patient roll.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Critical Research for Cost-Effective Photoelectrochemical Production of Hydrogen

The objective of this project is to develop critical technologies required for cost-effective production of hydrogen from sunlight and water using a-Si triple junction solar cell based photo-electrodes. In this project, Midwest Optoelectronics, LLC (MWOE) and its collaborating organizations utilize triple junction a-Si thin film solar cells as the core element to fabricate photoelectrochemical (PEC) cells. Triple junction a-Si/a-SiGe/a-SiGe solar cell is an ideal material for making cost-effective PEC system which uses sun light to split water and generate hydrogen. It has the following key features: 1) It has an open circuit voltage (Voc ) of ~ 2.3V and has an operating voltage around 1.6V. This is ideal for water splitting. There is no need to add a bias voltage or to inter-connect more than one solar cell. 2) It is made by depositing a-Si/a-SiGe/aSi-Ge thin films on a conducting stainless steel substrate which can serve as an electrode. When we immerse the triple junction solar cells in an electrolyte and illuminate it under sunlight, the voltage is large enough to split the water, generating oxygen at the Si solar cell side (for SS/n-i-p/sunlight structure) and hydrogen at the back, which is stainless steel side. There is no need to use a counter electrode or to make any wire connection. 3) It is being produced in large rolls of 3ft wide and up to 5000 ft long stainless steel web in a 25MW roll-to-roll production machine. Therefore it can be produced at a very low cost. After several years of research with many different kinds of material, we have developed promising transparent, conducting and corrosion resistant (TCCR) coating material; we carried out extensive research on oxygen and hydrogen generation catalysts, developed methods to make PEC electrode from production-grade a-Si solar cells; we have designed and tested various PEC module cases and carried out extensive outdoor testing; we were able to obtain a solar to hydrogen conversion efficiency (STH) about 5.7% and a running time about 480 hrs, which are very promising results; we have also completed a techno-economic analysis of our PEC system, which indicates that a projected hydrogen generation cost of $2/gge is achievable with a 50 Ton-per-day (TPD) scale under certain conditions.

08 HYDROGEN↗
DOE OSTI2015

Development of ODS FeCrAl alloys for accident-tolerant fuel cladding

FeCrAl alloys are prime candidates for accident-tolerant fuel cladding due to their excellent oxidation resistance up to 1400 C and good mechanical properties at intermediate temperature. Former commercial oxide dispersion strengthened (ODS) FeCrAl alloys such as PM2000 exhibit significantly better tensile strength than wrought FeCrAl alloys, which would alloy for the fabrication of a very thin (~250 m) ODS FeCrAl cladding and limit the neutronic penalty from the replacement of Zr-based alloys by Fe-based alloys. Several Fe-12-Cr-5Al ODS alloys where therefore fabricated by ball milling FeCrAl powders with Y2O3 and additional oxides such as TiO 2 or ZrO 2 . The new Fe-12Cr-5Al ODS alloys showed excellent tensile strength up to 800 C but limited ductility. Good oxidation resistance in steam at 1200 and 1400 C was observed except for one ODS FeCrAl alloy containing Ti. Rolling trials were conducted at 300, 600 C and 800 C to simulate the fabrication of thin tube cladding and a plate thickness of ~0.6mm was reached before the formation of multiple edge cracks. Hardness measurements at different stages of the rolling process, before and after annealing for 1h at 1000 C, showed that a thinner plate thickness could likely be achieved by using a multi-step approach combining warm rolling and high temperature annealing. Finally, new Fe-10-12Cr-5.5-6Al-Z gas atomized powders have been purchased to fabricate the second generation of low-Cr ODS FeCrAl alloys. The main goals are to assess the effect of O, C, N and Zr contents on the ODS FeCrAl microstructure and mechanical properties, and to optimize the fabrication process to improve the ductility of the 2nd gen ODS FeCrAl while maintaining good mechanical strength and oxidation resistance.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Report on the completion of the procurement of the first heat of Alloy 709

This report provides details on the completion of the procurement of the first commercial-sized heat of Alloy 709. The report is a Level 3 deliverable in FY17 (M3AT- 17OR1602053), under the Work Package AT-17OR160205, “Advanced Alloy Development” performed by Oak Ridge National Laboratory, as part of Advanced Structural Materials Program for the Advanced Reactor Technologies (ART). This work project supports the fabrication scale up effort for Alloy 709 that was started in FY16. The effort culminated in the placement of a Purchase Order in August 2016 with a commercial vendor to melt an Alloy 709 heat using industrial melt practice. Four ingots, totaling about 45,000 lb, had been bottom-poured from the melt in September 2016. Two of the ingots were hot rolled into 1.2”x60”x155” and 1.1”x60”x100” plates using standard hot rolling process in FY17. Some small test pieces were cut from the asrolled plates and sent to Argonne National Laboratory (ANL) for archival. The plates were then heat treated and surface pickled by the vendor. The plates were subsequently delivered to ANL and Oak Ridge National Laboratory (ORNL). Properties and microstructure screening were performed on these plates upon delivery in February 2017 at ANL. Several samples were cut from the as-rolled and heattreated plates and were analyzed for their microstructures, hardness values, grain sizes, and room temperature tensile properties. The results indicate that the scaled-up heat of Alloy 709 fabricated using commercial practice exhibit tensile properties that exceed the minimum values specified in the ASME Code Case for commercial heat of NF709. These plates will be used to support base metal testing for the 650°C, 100,000-h Alloy 709 Code Case development, for fabrication of weldments, and for the NEUP projects.

36 MATERIALS SCIENCE↗
DOE OSTI2017

“A System for Automatically Maintaining Pressure in a Commercial Truck Tire”

Under-inflated tires significantly reduce a vehicle’s fuel efficiency by increasing rolling resistance (drag force). The Air Maintenance Technology (“AMT”) system developed through this project replenishes lost air and maintains optimal tire cavity pressure whenever the tire is rolling in service, thus improving overall fuel economy by reducing the tire’s rolling resistance. The system consists of an inlet air filter, an air pump driven by tire deformation during rotation, and a pressure regulating device. Pressurized air in the tire cavity naturally escapes by diffusion through the tire and wheel, leaks in tire seating, and through the filler valve and its seating. As a result, tires require constant maintenance to replenish lost air. Since manual tire inflation maintenance is both labor intensive and time consuming, it is frequently overlooked or ignored. By automating the maintenance of optimal tire pressure, the tire’s contribution to the vehicle’s overall fuel economy can be maximized. The work was divided into three phases. The objectives of Phase 1, Planning and Initial Design, resulted in an effective project plan and to create a baseline design. The objectives for Phase 2, Design and Process Optimization, were: to identify finalized design for the pump, regulator and filter components; identify a process to build prototype tires; assemble prototype tires; test prototype tires and document results. The objectives of Phase 3, Design Release and Industrialization, were to finalize system tire assembly, perform release testing and industrialize the assembly process.

42 ENGINEERING↗
DOE OSTI2019

Eutectoid Transformation in U10Mo Alloy: Effect of Deformation History and Homogenization Heat Treatment

In the United States, uranium 10 wt.% molybdenum (U10Mo) alloy has been selected as the nuclear fuel that will be used when transitioning research reactors and radioisotope production facilities from highly enriched uranium (>85% 235 U) fuel to low-enriched uranium (<20% 235 U) fuel. The fabrication steps for producing U10Mo fuel foil involve multiple hot-rolling/cold-rolling/intermediate annealing steps. The U10Mo alloy, which can retain the desirable high-temperature body-centered cubic γ-U (A2) structure at room temperature as a metastable phase for optimum in-reactor performance, goes through a eutectoid reaction below ~560°C and forms a-U as a reaction product, which is highly undesirable. Because the fabrication steps are carried out in the temperature range of 500 to 700°C, it is critical to understand the eutectoid reaction kinetics as a function of rolling/annealing steps. In this study, we determined the eutectoid transformation behavior of various rolled/annealed U10Mo coupons at 450, 500, and 525°C. The results show that the highest degree of phase transformation occurs when the U10Mo billet is rolled down from the as-cast condition without any prior homogenization treatment. Further, we observed that mechanical deformation (in the form of hot-rolling/cold-rolling) leads to increased eutectoid transformation compared to the billets that were not deformed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

NSLS-II Storage Ring BPM Calibration via LOCO

In the following, we describe a method of the beam based calibration of the beam position monitor (BPM) system in the NSLS-II storage ring (SR) via the LOCO (Linear Optics from Closed Orbits) technique. This method measures the orbit response matrix (ORM) and the dispersion function of the machine. The data are then fitted to a lattice model by adjusting parameters such as quadrupole and skew quadrupole strengths in the model, BPM gains and rolls, corrector gains and rolls of the measurement system. Therefore, BPM gains and rolls are obtained.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Processing and Characterization of Pilgered 14YWT Tubing

The Nuclear Technology Research & Development program of the Office of Nuclear Energy has implemented a program to develop an advanced reactor cladding fabrication capability by using the extrusion and pilgering processes. Oxide-dispersion strengthened (ODS) steels are a promising class of advanced materials, but processes need to be developed to produce tubing for these advanced alloys. The Pacific Northwest National Laboratory (PNNL) has converted its rolling mill into a lab-scale pilger mill, which required designing pilger tooling and rolls that contained multiple pilgering grooves and designing a servo-driven feed mechanism. Upon assembling and checking out the system, pilgering runs on stainless steel, MA956, and 14YWT iron (Fe)-based alloys were completed. Once the feed rates and rotation rates were established, the reduction schedules were determined. This report will focus on the processing and characterization of pilgered 14YWT thin-wall tubing that was processed from an extruded thick-wall tube using the PNNL laboratory pilger rolling mill. Characterization included optical metallography of the pilgered tube and microhardness of the processed material. The 14YWT characterization is being done in cooperation with researchers at Los Alamos National Laboratory (LANL), with LANL performing mechanical property testing of pilgered 14YWT and 14YWT tubes produced by hydrostatic extrusion at Case Western Reserve University (CWRU).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

VTO_2021_APR_LLNL_Ye

Traditional batteries are composed of two-dimensional films that are stacked and/or rolled. Thin film batteries display high power density while their thick film counterparts show good energy density, but it has proven difficult to concurrently achieve both within these planar form factors. In addition, conventional Li-ion batteries based on liquid organic electrolytes or gel polymer electrolytes have raised severe safety concerns due to the intrinsic flammable properties of the organic electrolytes. They are also not ideal for the use of high energy density metallic lithium (Li) anodes due to Li dendrite growth, or sulfur cathodes due to shuttling effects that result in fast capacity fade. There is an urgent need to develop safe, high-performance solid-state batteries (SSBs) with advanced electrolyte and separator technologies. Although in recent years a series of superionic conductors have been developed for electrolytes and separators, their performance does not satisfy demanding criteria due to large impedance from poor solid electrolyte-electrode contact and questionable electrochemical and mechanical stability. Unlike the well-established roll-to-roll fabrication of conventional Li-ion batteries, the processing of SSBs is unique due to the brittleness of solid-state electrolytes (SSEs). The commercially available or lab-developed SSE discs are usually very thick (hundreds of micrometers to millimeters) to overcome their brittle nature, which unfortunately increases the cell impedance and accounts for the majority of the overall cell weight and volume, leading to dramatically decreased power and energy densities. In this project, we will investigate 3D printing techniques to overcome safety, fabrication, mechanical, and electrochemical issues in SSBs. 3D printing builds complex structures in a layer-by-layer fashion, which allows rapid production of hierarchical architectures, gradient and multi-material structures, and multi-component assemblies. 3D printing is an emerging area that could fundamentally transform energy storage devices. For example, 3D printing can produce batteries with arbitrary form factors to fit a product’s specific volume requirements and can create interwoven electrode arrangements over a wide range of length scales to improve transport and increase power density for a given energy density. For SSBs, 3D printing may dramatically reduce the separator thickness from ~1 mm (by hydraulic pressing) to tens of micrometers or less. In addition, the interfacial contact area between the electrolyte and the electrode may be increased via 3D interdigitated designs. Hence, we expect a significant reduction of the overall cell impedance and enhancement of both energy and power densities of SSBs by harnessing an array of 3D printing technologies being developed at Lawrence Livermore National Laboratory (LLNL).

25 ENERGY STORAGE↗
DOE OSTI2022

Enhanced Light Outcoupling from OLEDs Fabricated on Novel Low-Cost Patterned Plastic Substrates of Varying Periodicity

OLEDs continue to make strides in display applications, but their commercial utilization in solid-state lighting (SSL) is lagging. An ongoing challenge, in particular for manufacturing, is the need for enhanced efficiency and hence the necessity to increase in an inexpensive approach the extraction of the light generated inside the OLED into the forward (viewing) hemisphere. In conventional OLEDs fabricated on a transparent flat anode coated on glass, the external quantum efficiency (EQE) is only ~20%. About 50% of the light is lost to internal waveguiding in the high refractive index (RI) organic + ITO anode layers and to surface plasmon polaritons (SPPs) at the organic/metal cathode interface. Another ~30% of the light is externally waveguided in the substrate to its edges. While extraction of the externally waveguided light is commonly addressed by adding a microlens array (MLA) or a scattering layer at the substrate’s air-side, light outcoupling increases by only ~1.6-1.7x (vs up to 2.5x in improving from ~20% to ~50%). The use of a hemispherical lens or an index matching fluid (IMF) at the substrate/photodetector (PD) interface increases the outcoupling by at least 2x; these approaches however, are not viable industrially, and even a MLA is sometimes undesirable due to its non-planar, scattering structure. In multi-stack tandem OLEDs, where the metal cathode is far from the emitting zone(s), the impact of photons loss to SPPs decreases. Our project addressed the ~50% loss to the internally waveguided light and SPPs. We evaluated OLEDs fabricated on patterned or planarized plastic substrates manufactured in a cost-effective approach compatible with a roll-to-roll (R2R) process. The OLEDs were either (i) patterned to various degrees depending on the pitch a and height or depth h of the pattern features or (ii) planar, with a pattern buried under a flat high RI planarization layer. We demonstrated that the outcoupling from green patterned OLEDs reaches ~50% by mitigating plasmon–related loss and internal waveguiding, even without the addition of a MLA, a hemispherical lens, or IMF. Simulations conducted in parallel with the experimental effort demonstrated how diffraction by conformally corrugated OLEDs increases the outcoupling to >60%. Structures with varying pitch values were also simulated indicating that combining domains of varying pitch could increase outcoupling to 55-60%. Experimentally, we additionally assessed the role a and h in determining not only the OLED efficiencies, but also their structural properties, i.e., the uniformity and conformality throughout the OLED stack. As planar OLEDs are preferred over corrugated devices, we studied different patterns in plastic substrates that were planarized by a high RI formulation. Planar green OLEDs on such structures showed enhanced efficiencies with EQEs larger than 60% with the addition of an IMF (to extract the substrate mode) at the substrate/Si PD interface. White OLEDs showed EQEs of 45.5%. Plastic substrates are currently less attractive than glass substrates due to drawbacks such as permeability to water vapor and oxygen, and in some cases thermal instability. Plastic substrates however, are flexible and easy to handle unlike thin flexible glass, and once transparent thin barrier films are available, they will become more attractive; they are already of interest in medical applications. Importantly, as it is easy to generate various patterns in different plastic materials, they provide excellent means for assessing and optimizing enhancing extracting structures. Such structures can also be transferred to glass substrates with some process modifications. The technical effectiveness and economic feasibility of the project lie in the patterning of the extracting plastic substrates in an approach that is scalable to R2R manufacturing. R2R processes are of drastically lower-cost than batch or single-unit fabrication. The patterned plastic can be a part of an integrated substrate either plastic or glass, which includes also a MLA or a planar layer with embedded scattering particles, as well as a conductive metal mesh/electrode design. SSL is environmentally-friendly and as OLED SSL becomes more efficient it will reduce electricity consumption, and hence lighting cost, as well as produce less expensive attractive lighting fixtures. Our university-industry collaboration is hence of major benefit to the public as it demonstrates the feasibility of manufacturing optimized extracting substrates for highly efficient OLEDs for SSL in a future R2R process, which would drastically reduce the manufacturing cost and increase production in the USA. Moreover, newly developed methods by our team allow low-cost roll manufactured substrates to be transferred to flexible or rigid glass substrates, which solves the plastic substrate barrier issues, and when combined with device encapsulation will increase the OLEDs’ environmental stability.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Modeling of Radiolytic Hydrogen Generation of Irradiated Surrogate Aluminum Plates

The hydrogen generation from oxyhydroxide layers under irradiation is an important effect to understand for the long-term storage of aluminum-clad spent nuclear fuel. The original chemical model shows steady production of hydrogen from aluminum oxyhydroxide layers, with no roll-over effect in the curves of the hydrogen concentration until significant pressure has built up within the canister. This study uses a variety of kinetic fits to adjust the old chemical model to have roll-over effects that are consistent with new high-dose experiments. The data from aluminum 6061 coupon tests at high doses were used to fit several kinetic models. The 6061 aluminum samples are representative of the aluminum-clad fuel from the ATR. The fitted kinetic models were then used in a model of a mini-canister with much higher packing density to determine which kinetic rates would fit both sets of experimental tests. The rate constants for the kinetic mechanisms that were close were then tweaked such that the chemical models fit both the experimental data from the capsule tests and the data from the mini-canister tests. The kinetic models which fit the best are either inhibition by hydrogen, or a back reaction wherein H radical is reabsorbed onto the oxyhydroxide layer. The H back reaction rolls over quicker and may fit future collected data.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Research Plan and Preliminary Results in Developing the Fabrication Parameters for Alloy 709 in Different Product Forms―Grain Coarsening Temperature Evaluation

The Advanced Reactor Technologies (ART) Program has established a multi-year plan to develop Alloy 709 advanced stainless steel (A709), generate the data package and develop material-specific design parameters in qualifying it as a new structural material for Class A component design in the American Society of Mechanical Engineers (ASME) Boiler and Pressure Vessel Code, Section III, Division 5, High Temperature Reactors. In collaboration with material vendors, the Advanced Materials Development activities under ART have successfully scaled the A709 plate form production from a laboratory heat of 500 pounds to commercial heats totaling 133,000 pounds of A709 plate fabricated from three heats. The goal of the overall A709 development program is to establish the necessary microstructural and mechanical properties relationship for A709 to ultimately develop fabrication parameters for other product forms such as bars, piping and forging using the available ART A709 materials. The objective of this A709 development work at ORNL in FY2023 is to experimentally determine grain coarsening behavior for the A709 heats and to experimentally generate the continuous cooling precipitation (CCP) diagram for A709 using the as-rolled commercial heat plate materials. Integral to this work is the characterization of the as-rolled materials and the determination of an effective solution annealing process. This report summarizes the work performed to identify the grain coarsening temperature for commercial heat 58776-3RB fabricated by G. O. Carlson and heat 529900-02 fabricated by Allegheny Technologies Incorporated (ATI) Flat Rolled Products.

36 MATERIALS SCIENCE↗
DOE OSTI2023

FY23 Progress Report on Viscosity and Thermal Conductivity Measurements of Molten Salts

As presented in this report, thermal conductivity and viscosity measurements were performed on key chloride pseudo-binary molten salt systems of relevance to molten salt reactor developers. Thermal conductivity measurements were conducted with a variable gap technique, in which a known heat flux is driven across a molten salt specimen and the temperature difference is measured, allowing calculation of the thermal conductivity. This is achieved by establishing a small gap between the bottom of a cylindrical inner containment, which houses electrical heating elements, and an outer containment, which houses cooling channels; the gap size can be varied by compression of a formed bellows. A new calibration scheme was developed herein, involving a correction factor to the heat flux based on He measurements at various temperatures. Furthermore, the data processing methodology was improved to minimize the impact of radiative heat transfer in the calculation of salt specimen thermal conductivity from the temperature difference measurements. Viscosity measurements were conducted with a rolling ball viscometer, in which a ball rolls some known distance in an angled tubular crucible, and the terminal velocity can be used to calculate the viscosity of the salt. The measurement can be performed in a quartz crucible, with which a standard camera can be used to track the ball, or in a metal crucible, with which x-ray radiography is required to track the ball. A new custom x-ray system was made and dedicated to the rolling ball viscometer to enable high throughput automated measurements with salts which require containment with metal. Both systems have been integrated with a ventilation stack which allows for off-gassing of radioactive material, enabling future measurements with U-bearing salts. The thermal conductivity measurements performed herein were with NaCl-KCl (44 mol% NaCl). This salt system was measured in the previous fiscal year, however the thermal conductivity values obtained were comparatively low, and so the system was remeasured with the aforementioned calibration scheme and improved post-processing techniques. The newly obtained thermal conductivity values for NaCl-KCl (44 mol% NaCl) indicate good agreement with kinetic theory and ab-initio models (within 5–10 %). The viscosity measurements performed herein were with three different compositions of NaCl-KCl: 75, 50, and 25 mol% NaCl; a new calibration scheme was applied to account for variable flow effects in the laminar regime. The results show reasonable agreement with literature (5–20 %, depending on the temperature, composition, and study); however, literature values are likely higher than true values based on pure end-member measurements performed in the comparative studies. The measurements conducted herein do show a trend such that viscosity increases with increasing NaCl concentration, which agrees well with one of two comparative studies. In general, the measurements conducted herein gives confidence in the capability to use these systems to accurately measure thermal conductivity and viscosity of actinide-bearing salts within the next fiscal year.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

High Temperature Tensile Testing of Molybdenum Before and After Exposure in Flowing He at 600°C to 1000°C

ORNL supported NorthStar Medical Radioisotope’s accelerator-based concept to produce the medical isotope molybdenum-99 (Mo-99). The Mo targets are expected to experience in the accelerator temperature ranging from 200°C to 1000°C, and previous studies have demonstrated the embrittlement of Mo targets at room temperature when exposed to impure He at 800 to 1000°C. The goal of this project was to evaluate potential embrittlement at temperature ranging from 600°C to 1000°C for three Mo materials exposed at the same temperatures for 100h in high purity He (O 2 < 5ppm (µl/l)) with a flow rate of ~1m/s. Enriched Mo-100 (aMo) and conventional pressed and sintered Mo (UHP) disks were provided by NorthStar while low carbon arc cast rolled Mo, fabricated at ORNL, was used for comparison. The as fabricated rolled Mo exhibited superior tensile strength due to the alloy very fine grain size with limited ductility except at 1000°C with the elongation at rupture reaching 30%. The UHP Mo disks showed the lowest strength but highest ductility at 20-1000°C with significant strain hardening during tensile testing. The ductility of the aMo material was quite low at all temperatures due to a high density of voids at grain boundaries. Significant embrittlement of the aMo material was observed after exposure at 600°C to 1000°C, most likely because of oxygen diffusion and segregation at grain boundaries. No embrittlement was observed for the UHP Mo material, with excellent elongation at rupture for some of the specimens oxidized in He and tested at 600-1000°C. Significant variation in ductility from one UHP Mo specimen to another was, however, measured, both in the as fabricated and He-oxidized conditions. The rolled Mo was not affected by oxidation in He at 800°C, but a decrease in strength and increase in ductility was observed at 1000°C, likely due to the material recrystallization.

36 MATERIALS SCIENCE↗