Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Large deviations”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 145 records · Page 8

Thermodynamic Control of Activity Patterns in Cytoskeletal Networks

Biological materials, such as the actin cytoskeleton, exhibit remarkable structural adaptability to various external stimuli by consuming different amounts of energy. In this Letter, we use methods from large deviation theory to identify a thermodynamic control principle for structural transitions in a model cytoskeletal network. Specifically, we demonstrate that biasing the dynamics with respect to the work done by nonequilibrium components effectively renormalizes the interaction strength between such components, which can eventually result in a morphological transition. Further, our work demonstrates how a thermodynamic quantity can be used to renormalize effective interactions, which in turn can tune structure in a predictable manner, suggesting a thermodynamic principle for the control of cytoskeletal structure and dynamics.

59 BASIC BIOLOGICAL SCIENCES↗

Electrical transport, magnetic, and thermodynamic properties of La-, Pr-, and Nd-doped BaSn O 3 - δ single crystals

Due to outstanding room temperature electron mobility, the wide-gap perovskite semiconductor BaSnO 3 is of high current interest. Although n doping with Sb and O vacancies has been reported, most work has focused solely on La doping. Here we report bulk single crystals of Ba 1–x R x SnO 3–δ with R = La,Pr, and Nd, as well as unintentionally doped BaSnO 3–δ , thus exploring new rare earth (magnetic) dopants in addition to O vacancy doping. Consistent with recent results on epitaxial films, O vacancies are shown capable of generating mid-10 19 cm –3 Hall electron densities, with single crystal mobilities ~100–150cm 2 V –1 s –1 . Despite apparent solubility limits below ~0.5at.%, Pr and Nd are also shown to be effective n dopants, yielding Hall electron densities >1 × 10 20 cm –3 , and ambient and low temperature mobilities up to 175 and 430 cm 2 V –1 s –1 , respectively. In contrast to the La-doped case, clear paramagnetism occurs with Pr and Nd doping, allowing for direct estimates of dopant concentrations for quantitative comparison with Hall densities. We show that dopant and Hall densities can be approximately reconciled, but only after accounting for O vacancy doping. Specific heat measurements were also performed, confirming the BaSnO 3 Debye temperature, and revealing electronic contributions roughly consistent with reported effective masses. Interestingly, and likely related to crystalline electric field effects, Pr-doped BaSnO 3 exhibits large deviations from simple Curie-Weiss susceptibility, and a pronounced Schottky anomaly, which we analyze in detail. Furthermore, these results provide significant insight into doping in BaSnO 3 , establishing new rare earth magnetic dopants, clarifying the role of O vacancies, and determining dopant concentrations and solubility limits.

36 MATERIALS SCIENCE↗

Resilience of the surface code to error bursts

Quantum error correction works effectively only if the error rate of gate operations is sufficiently low. However, some rare physical mechanisms can cause a temporary increase in the error rate that affects many qubits; examples include ionizing radiation in superconducting hardware and large deviations in the global control of atomic systems. We refer to such rare transient spikes in the gate error rate as error bursts. In this work, we investigate the resilience of the rotated surface code to generic error bursts. We assume that, after appropriate mitigation strategies, the spike in the error rate lasts for only a single syndrome-extraction cycle; we also assume that the enhanced error rate is uniform across the code block. Under these assumptions, and for a circuit-level depolarizing noise model, we perform Monte Carlo simulations to determine the regime in burst error rate and background error rate for which the memory time becomes arbitrarily long as the code block size grows. Our results indicate that suitable hardware mitigation methods combined with standard decoding methods may suffice to protect against transient error bursts in the rotated surface code.

Quantum error correction↗

Consistency and reproducibility in atomic layer deposition

Atomic layer deposition (ALD) is a thin film synthesis technique that can provide exquisite accuracy and precision in film thickness and composition even on complex, large area substrates. Based on self-limiting surface chemistry, ALD can be insensitive to process conditions and reactor designs, allowing an ALD process developed in one lab to be easily reproduced in other labs. In practice, however, ALD is sometimes difficult to reproduce or replicate, and the results can vary substantially between ALD reactors and between labs. This is exemplified by large deviations in reports on the growth of, e.g., Al2O3, FeOx, and TiO2 given the same precursors under similar conditions. Furthermore, the problem of irreproducibility seems to be growing as ALD is adopted by more researchers and integrated into new applications. In this article, the authors highlight some of the major sources of variations and errors and common misconceptions related to ALD. In particular, the authors focus on issues related to precursors, substrates, and deposition tools. The authors illustrate these problems through examples from the literature, and they present results from numerical simulations that describe how nonidealities would manifest in thickness profiles in a typical cross-flow reactor. They also describe how reproducibility in ALD is linked to consistent experimental practice and reporting between labs. The authors’ hope is that by educating newcomers to ALD and advocating for consistent reporting of deposition conditions, they can minimize irreproducibility and enable ALD practitioners to realize the full potential afforded by self-limiting surface chemistry.

36 MATERIALS SCIENCE↗

SU-E-J-51: Dose Response of Common Solid State Detectors in Homogeneous Transverse and Longitudinal Magnetic Fields

Purpose: Solid state radiation detectors are often used for dose profiles and percent depth dose measurements. The dose response of selected solid state detectors is evaluated in varying transverse and longitudinal magnetic fields for eventual use in MR-Linac devices. Methods: A PTW 60003 and IBA PFD detector were modeled in the Monte Carlo code PENELOPE, incorporating a magnetic field which was varied in strength and oriented both transversely and longitudinally with respect to the incident photon beam. The detectors' long axis was in turn oriented either parallel or perpendicular to the photon beam. Dose to the active volume of each detector was scored, and its ratio to dose with zero magnetic field strength (dose response) was determined. Accuracy of the simulations was evaluated by measurements using both chambers taken at low field with a small electromagnet. Simulations were also performed in a water phantom to compare to the in air results. Results: Significant dose response was found in transverse field geometries, nearing 20% at 1.5T. The response is highly dependent on relative orientations to the magnetic field and photon beam, and on detector composition. Low field measurements confirm these results. In the presence of longitudinal magnetic fields, the detectors exhibit little dose response, reaching 0.5–1% at 1.5T regardless of detector orientation. Water tank simulations compared well to the in air simulations when not at the beam periphery, where in transverse magnetic fields only, the water tank simulations differed from the in air results. Conclusion: Transverse magnetic fields can cause large deviations in dose response, and are highly position orientation dependent. Comparatively, longitudinal magnetic fields exhibit little to no dose response in each detector as a function of magnetic field strength. Water tank simulations show longitudinal fields are generally easier to work with, but each detector must be evaluated separately.

07 ISOTOPE AND RADIATION SOURCES↗

SU-E-T-469: A Practical Approach for the Determination of Small Field Output Factors Using Published Monte Carlo Derived Correction Factors

Purpose: Output factor determination for small fields (less than 20 mm) presents significant challenges due to ion chamber volume averaging and diode over-response. Measured output factor values between detectors are known to have large deviations as field sizes are decreased. No set standard to resolve this difference in measurement exists. We observed differences between measured output factors of up to 14% using two different detectors. Published Monte Carlo derived correction factors were used to address this challenge and decrease the output factor deviation between detectors. Methods: Output factors for Elekta's linac-based stereotactic cone system were measured using the EDGE detector (Sun Nuclear) and the A16 ion chamber (Standard Imaging). Measurements conditions were 100 cm SSD (source to surface distance) and 1.5 cm depth. Output factors were first normalized to a 10.4 cm × 10.4 cm field size using a daisy-chaining technique to minimize the dependence of field size on detector response. An equation expressing the relation between published Monte Carlo correction factors as a function of field size for each detector was derived. The measured output factors were then multiplied by the calculated correction factors. EBT3 gafchromic film dosimetry was used to independently validate the corrected output factors. Results: Without correction, the deviation in output factors between the EDGE and A16 detectors ranged from 1.3 to 14.8%, depending on cone size. After applying the calculated correction factors, this deviation fell to 0 to 3.4%. Output factors determined with film agree within 3.5% of the corrected output factors. Conclusion: We present a practical approach to applying published Monte Carlo derived correction factors to measured small field output factors for the EDGE and A16 detectors. Using this method, we were able to decrease the percent deviation between both detectors from 14.8% to 3.4% agreement.

07 ISOTOPE AND RADIATION SOURCES↗

TH-A-19A-03: Impact of Proton Dose Calculation Method On Delivered Dose to Lung Tumors: Experiments in Thorax Phantom and Planning Study in Patient Cohort

Purpose: Evaluate Monte Carlo (MC) dose calculation and the prediction of the treatment planning system (TPS) in a lung phantom and compare them in a cohort of 20 lung patients treated with protons. Methods: A 2-dimensional array of ionization chambers was used to evaluate the dose across the target in a lung phantom. 20 lung cancer patients on clinical trials were re-simulated using a validated Monte Carlo toolkit (TOPAS) and compared to the TPS. Results: MC increases dose calculation accuracy in lung compared to the clinical TPS significantly and predicts the dose to the target in the phantom within ±2%: the average difference between measured and predicted dose in a plane through the center of the target is 5.6% for the TPS and 1.6% for MC. MC recalculations in patients show a mean dose to the clinical target volume on average 3.4% lower than the TPS, exceeding 5% for small fields. The lower dose correlates significantly with aperture size and the distance of the tumor to the chest wall (Spearman's p=0.0002/0.004). For large tumors MC also predicts consistently higher V{sub 5} and V{sub 10} to the normal lung, due to a wider lateral penumbra, which was also observed experimentally. Critical structures located distal to the target can show large deviations, though this effect is very patient-specific. Conclusion: Advanced dose calculation techniques, such as MC, would improve treatment quality in proton therapy for lung cancer by avoiding systematic overestimation of target dose and underestimation of dose to normal lung. This would increase the accuracy of the relationships between dose and effect, concerning tumor control as well as normal tissue toxicity. As the role of proton therapy in the treatment of lung cancer continues to be evaluated in clinical trials, this is of ever-increasing importance. This work was supported by National Cancer Institute Grant R01CA111590.

60 APPLIED LIFE SCIENCES↗

SU-E-J-77: Dose Tracking On An MR-Linac for Online QA and Plan Adaptation in Abdominal Organs

Recent developments made MRI-guided radiotherapy feasible. Simultaneously performed imaging during dose delivery reveals the influence of changes in anatomy not yet known at the planning stage. When targeting highly motile abdominal organs, respiratory gating is commonly employed in MRI and investigated in external beam radiotherapy to mitigate malicious motion effects. The purpose of the presented work is to investigate anatomy-adaptive dose reconstruction in the treatment of abdominalorgans using concurrent (duplex) gating of an integrated MRlinac modality.Using navigators, 3D-MR images were sampled during exhale phase, requiring 3s per axial volume (360×260×100mm{sup 3}, waterselective T1w-FFE). Deformation vector fields (DVF) were calculated for all imaging dynamics with respect to initial anatomy, yielding an estimation of anatomy changes over the time of a fraction. A pseudo-CT was generated from the outline of a reference MR image, assuming a water-filled body. Consecutively, a treatment was planned on a fictional kidney lesion and optimized simulating a 6MV linac in a 1.5T magnetic field. After delivery, using the DVF, the pseudo-CT was deformed and dose accumulated for every individual gating interval yielding the true accumulated dose on the dynamic anatomy during beam-on.Dose-volume parameters on the PTV show only moderate changes when incorporating motion, i.e. ΔD{sub 99} (GTV)=0.3Gy with D{sub 99} (GTV)=20Gy constraints. However, local differences in the PTV region showed underdosages as high as 2.7Gy and overdosages up to 1.4Gy as compared to the optimized dose on static anatomy.A dose reconstruction toolchain was successfully implemented and proved its potential in the duplex gated treatment of abdominal organs by means of an MR-linac modality. While primary dose constraints were not violated on the fictional test data, large deviations could be found locally, which are left unaccounted for in conventional treatments. Dose-tracking of both target structures and organs at risk using 3D MRI during treatment enables truly adaptive hypofractionated radiotherapy. This work was funded by the SoRTS consortium, which includes the industry partners Elekta, Philips and Technolution.

60 APPLIED LIFE SCIENCES↗

SU-F-T-464: Development of a Secondary Check Procedure to Evaluated Flatness and Symmetry Discrepancies Detected During Daily Morning QA

Purpose: A daily QA device is used to monitor output, flatness and symmetry constancy for all linac photon and electron energies. If large deviations from baseline in flatness or symmetry are reported it becomes necessary to crosscheck the measurements with a second device. Setting up another device such as Matrixx (IBA Dosimetry) can be time consuming, due to its warm-up time, and trained personnel may not be readily available to analyze the results. Furthermore, this discrepancy is frequently isolated to a single energy. Unaffected energies could still be used, avoiding further patient delays, if a method to gather data for offline analysis could be developed. We find that optically stimulated luminescent dosimeters (OSLDs) provide a quick, simple, and inexpensive solution to this important clinical problem. Methods: The exact geometry of the detectors on the daily tracker (Keithley Therapy Beam Evaluator) was reproduced by placing nanoDot OSLDs (Landauer) on a solid water phantom. A combination of bolus and solid water was placed on top to provide buildup and prevent air gaps. Standard daily measurements of output, flatness and symmetry were taken for 2 photon energies (6x,10x) and 5 electron energies (6e,9e,12e,15e,18e) using the tracker. These measurements were then repeated with the OSLD phantom. Results: The time it took to set up the OSLD phantom was comparable to that of the tracker. The inline and crossline OSLD phantom measurements of flatness and symmetry agreed with the tracker results to within 2%. Conclusion: OSLDs provide a good solution for a quick second check when questionable flatness and symmetry results are detected with the tracker during daily QA.

60 APPLIED LIFE SCIENCES↗

SU-F-T-480: Evaluation of the Role of Varian Machine Performance Check (MPC) in Our Daily QA Routine

Purpose: (A) To assess the role of Varian MPC in our daily QA routine, and (B) evaluate the accuracy and precision of MPC. Methods: The MPC was performed weekly, for five months, on a Varian TrueBeam for five photon (6x, 10x, 15x, 6xFFF, and 10xFFF) and electron (6e, 9e, 12e, 16e, and 20e) energies. Output results were compared to those determined with an ionization chamber (TN30001, PTW-Freiburg) in plastic and a daily check device (DQA3, Sun Nuclear). Consistency of the Mechanical measurements over five months was analyzed and compared to monthly IsoCal results. Results: The MPC randomly showed large deviations (3–7%) that disappeared upon reacquisition. The MPC output closely matched monthly ion chamber and DQA3 measurements. The maximum and mean absolute difference between monthly and MPC was 1.18% and 0.28±0.21% for all energies. The maximum and mean absolute difference between DQA3 and MPC was 3.26% and 0.85±0.61%. The results suggest the MPC is comparable to the DQA3 for measuring output. The DQA3 provides wedge output, flatness, symmetry, and energy constancy checks, which are missing from the current implementation of the MPC. However, the MPC provides additional mechanical tests, such as size of the radiation isocenter (0.33±0.02 mm) and its coincidence with MV and kV isocenters (0.17±0.05 and 0.21±0.03 mm). It also provides positional accuracy of individual jaws (maximum σ, 0.33mm), all the MLC leaves (0.08mm), gantry (0.05°) and collimator (0.13°) rotation angles, and couch positioning (0.11mm) accuracy. MPC mechanical tests could replace our current daily on-board imaging QA routine and provide some additional QA not currently performed. Conclusion: MPC has the potential to be a valuable tool that facilitates reliable daily QA including many mechanical tests that are not currently performed. This system can add to our daily QA, but further development would be needed to fully replace our current Daily QA device.

60 APPLIED LIFE SCIENCES↗

SU-G-201-17: Verification of Dose Distributions From High-Dose-Rate Brachytherapy Ir-192 Source Using a Multiple-Array-Diode-Detector (MapCheck2)

Purpose: To investigate quantitatively the accuracy of dose distributions for the Ir-192 high-dose-rate (HDR) brachytherapy source calculated by the Brachytherapy-Planning system (BPS) and measured using a multiple-array-diode-detector in a heterogeneous medium. Methods: A two-dimensional diode-array-detector system (MapCheck2) was scanned with a catheter and the CT-images were loaded into the Varian-Brachytherapy-Planning which uses TG-43-formalism for dose calculation. Treatment plans were calculated for different combinations of one dwell-position and varying irradiation times and different-dwell positions and fixed irradiation time with the source placed 12mm from the diode-array plane. The calculated dose distributions were compared to the measured doses with MapCheck2 delivered by an Ir-192-source from a Nucletron-Microselectron-V2-remote-after-loader. The linearity of MapCheck2 was tested for a range of dwell-times (2–600 seconds). The angular effect was tested with 30 seconds irradiation delivered to the central-diode and then moving the source away in increments of 10mm. Results: Large differences were found between calculated and measured dose distributions. These differences are mainly due to absence of heterogeneity in the dose calculation and diode-artifacts in the measurements. The dose differences between measured and calculated due to heterogeneity ranged from 5%–12% depending on the position of the source relative to the diodes in MapCheck2 and different heterogeneities in the beam path. The linearity test of the diode-detector showed 3.98%, 2.61%, and 2.27% over-response at short irradiation times of 2, 5, and 10 seconds, respectively, and within 2% for 20 to 600 seconds (p-value=0.05) which depends strongly on MapCheck2 noise. The angular dependency was more pronounced at acute angles ranging up to 34% at 5.7 degrees. Conclusion: Large deviations between measured and calculated dose distributions for HDR-brachytherapy with Ir-192 may be improved when considering medium heterogeneity and dose-artifact of the diodes. This study demonstrates that multiple-array-diode-detectors provide practical and accurate dosimeter to verify doses delivered from the brachytherapy Ir-192-source.

60 APPLIED LIFE SCIENCES↗

Variational Path Sampling of Rare Dynamical Events

This article reviews the concepts and methods of variational path sampling. These methods allow computational studies of rare events in systems driven arbitrarily far from equilibrium. Based upon a statistical mechanics of trajectory space and leveraging the theory of large deviations, they provide a perspective from which dynamical phenomena can be studied with the same types of ensemble reweighting ideas that have been used for static equilibrium properties. Applications to chemical, material, and biophysical systems are highlighted.

Singh, Aditya N↗

Isothermal Microcalorimetric Analysis of Li/CF x Battery Discharge

Lithium/carbon monofluoride (Li/CF x ) batteries generate substantial amounts of heat during discharge in part due to the large deviation of the loaded voltage from the measured and thermodynamically predicted open circuit voltage. Here, in this study, we further analyze this system by estimating the equilibrium voltage (V eq ) and its temperature dependence (dV eq /dT) over the entire discharge range. Based on these results, the ohmic and entropic heat contributions to the overall heat flow are calculated from experimental data. The ohmic heat flow is consistent with an electrochemical impedance spectroscopy model and electrode density measurements, indicating decreasing porosity of the electrode during discharge. Entropic heating increases during discharge as the cell reaction becomes increasingly entropically unfavorable. The total energy dissipated by the cell (electrical and thermal) remains similar over the entire discharge, evidence for a two-phase reaction with a constant, and rate-independent, ΔG rxn of about -465 kJ mol -1 . However, near the end of discharge (>90% DOD), ΔG rxn changes significantly indicating possible secondary reactions.

25 ENERGY STORAGE↗

Measurement of the low-energy germanium quenching factor with a small-mass detector

We report on work performed to measure the quenching factor of low kinetic energy germanium recoils, as a collaboration between Sandia National Laboratories (SNL) and Duke University. A small-mass low-noise high purity germanium detector was irradiated by a mono-energetic pulsed neutron beam produced by the Triangle Universities Nuclear Laboratory (TUNL) Van-de-Graaff accelerator. Data was collected to determine the germanium quenching factor as a function of 10 discrete recoil energy values in the range ~ [0.8, 5.0] keVnr. We describe the experiment, present the simulation and data processing for the 10 datasets, and discussed the quenching factor analysis result for one of them. This one result seems to indicate a somewhat large deviation from literature values, though it is still preliminary to claim the presence of a systematic bias in our data or analysis.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Fluid Dynamics Effects on Microstructure Prediction in Single Laser Tracks for Additive Manufacturing

The Laser Powder Bed Fusion Additive Manufacturing (LPBFAM) is one of the most important processes for the production of lightweight, cost-effective, complex, and high-performance enduse parts. At present, the cost and time associated with LPBFAM process development is very high due to a lack of fundamental process understanding. In this project, a multi-physics model was developed on a highly parallel open-source code, Truchas, with the ultimate goal of providing experimentally validated process maps for tailoring microstructure to achieve desired performance for LPBFAM. As a critical step towards fully LPBFAM modeling, modeling of single-track laser fusion (STLF) were conducted. Multi-physics simulations were conducted using Truchas for STLF by considering heat transfer, phase-change, fluid dynamics, surface tension phenomena, and evaporation. In order to assess the effect of the fluid dynamics on the solidification and ensuing microstructure, a heat transfer-and-solidification-only (HTS) model and a fully coupled heat-transfer-solidification and fluid-dynamics (HTS-FD) model were considered. In the HTS_FD model, the fluid flow was considered to be laminar while the molten alloy surface is assumed to be flat and non-deformable. This study is one the first attempt to understand the effect of the fluid flow on microstructure in STLF and LPBFAM. The results show that the fluid flow affects the solidification and ensuing microstructure in STLF. In order to validate Truchas for STLF and LPBFAM modeling, experimental data, which was obtained at GE Global Research (GEGR) for liquid pool shape and microstructure, were compared with those from numerical simulation results. For the keyhole regime case, numerical simulation results indicate that the melt-pool shape was typical to that of the conduction case with very large deviations from the measured melt-pool depths. Two sensitivity studies were conducted by varying the evaporation flux and the surface tension coefficient at fixed laser absorptivities of 0.5 and 0.3, respectively. The minimum value for the overall combined error, between the calculated values with the HTS_FD model and measured values for both the width and height of the melt-pool, was attained for a surface tension coefficient of -0.75e-4 N/m. An analytical solidification model for the columnar-to-equiaxed transition (CET) in rapid solidification was used to assess the microstructure variation within the melt-pool. From numerical simulation results, thermal gradient, G, and solidification velocity, V, were obtained in order to predict the microstructure type (e.g., dendritic, cellular). For the fluid-flow HTS_FD model, G was found to exhibit a maximum at the extremity of the solidified pool (i.e., at the free surface). By contrast, for HTS simulations, G was found to exhibit a maximum around the entire edge of the solidified pool. For the HTS_FD simulations, the minimum values of the cooling rate, GV, were found to be approximately half than their corresponding values for HTS simulations. By contrast with the min GV values, the maximum values for GV were found to occur for the HTS_FD simulations. Thus, HTS_FD simulations were found to exhibit a wider range of cooling rates than the HTS simulations. Concerning the solidification maps, the variation of the solidification velocity, V, as function of the thermal gradient, G, was obtained. It was found that the fluid flow model results (HTS_FD) exhibited an increased spread in the V(G) variation within the melt pool with respect to the HTS model results (without the fluid flow). A preliminary correlation model for the primary dendrite arm spacing (PDAS) based on a power law dependence on thermal gradient and solidification velocity was used to estimate PDAS from HTS and HTS_FD simulations. For low laser powers and low laser speeds, the PDAS obtained 6 with the fluid dynamics model (HTS_FD) was larger by more than 30% with respect to the PDAS calculated with the simple HTS model. In the second part of the project, fifty-seven simulations were conducted in order to obtain data on microstructure variables that can be used for process map development. In order to cover the entire processing space, thirty-three cases were selected STLF process simulations at six power levels and six laser scanning speeds. The 57 STLF process simulations were conducted as follows: 33 simulations with the heat-transfer-only (HTS) model and 24 simulations with the fluid flow model (HTS_FD). The solidification map data shows that for all simulations, a columnar dendritic microstructure would be expected. It was found that the minimum, average, and maximum thermal gradient exhibit exponential variations with respect to a process variable defined as the ratio between the power and square root of scan speed.

36 MATERIALS SCIENCE↗

Blind Modeling Validation Exercises Using the Horizontal Dry Cask Simulator

The U.S. Department of Energy (DOE) established a need to understand the thermal-hydraulic properties of dry storage systems for commercial spent nuclear fuel (SNF) in response to a shift towards the storage of high-burnup (HBU) fuel (> 45 gigawatt days per metric ton of uranium, or GWd/MTU). This shift raises concerns regarding cladding integrity, which faces increased risk at the higher temperatures within spent fuel assemblies present within HBU fuel compared to low-burnup fuel (≤ 45 GWd/MTU). A dry cask simulator (DCS) was built at Sandia National Laboratories (SNL) in Albuquerque, New Mexico to produce validation-quality data that can be used to test the accuracy of the modeling used to predict cladding temperatures. These temperatures are critical to evaluating cladding integrity throughout the storage cycle of commercial spent nuclear fuel. A model validation exercise was previously carried out for the DCS in a vertical configuration. Lessons learned during the previous validation exercise have been applied to a new, blind study using a horizontal dry cask simulator (HDCS). Three modeling institutions – the Nuclear Regulatory Commission (NRC), Pacific Northwest National Laboratory (PNNL), and Empresa Nacional del Uranio, S.A., S.M.E. (ENUSA) – were granted access to the input parameters from the DCS Handbook, SAND2017-13058R, and results from a limited data set from the horizontal BWR dry cask simulator tests reported in the HDCS update report, SAND2019-11688R. With this information, each institution was tasked to calculate peak cladding temperatures and air mass flow rates for ten HDCS test cases. Axial as well as vertical and horizontal transverse temperature profiles were also calculated. These calculations were done using modeling codes (ANSYS/Fluent, STAR-CCM+, or COBRA-SFS), each with their own unique combination of modeling assumptions and boundary conditions. For this validation study, the ten test cases of the horizontal dry cask simulator were defined by three independent variables – fuel assembly decay heat (0.5 kW, 1 kW, 2.5 W, and 5 kW), internal backfill pressure (100 kPa and 800 kPa), and backfill gas (helium and air). The plots provided in Chapter 3 of this report show the axial, vertical, and horizontal temperature profiles obtained from the dry cask simulator experiments in the horizontal configuration and the corresponding models used to describe the thermal-hydraulic behavior of this system. The tables provided in Chapter 3 illustrate the closeness of fit of the model data to the experiment data through root mean square (RMS) calculations of the error in peak cladding temperatures (PCTs), PCT axial locations, axial temperature profiles, vertical and horizontal temperature profiles at two different axial locations, and air mass flow rates for the ten test cases, normalized by the experimental results. The model results are assigned arbitrary model numbers to retain anonymity. Due to the relatively flat axial temperature profiles, small temperature gradients resulted in large deviations of all models’ PCT axial location from the experimental PCT axial location. When the PCT axial location error is excluded in the calculation of the combined RMS of the normalized errors that considers PCT, the temperature profiles, and the air mass flow rates, the model data fits the experimental data to within 5%. When the vault information is excluded, the model data fits the experimental data to within 2.5%. An error analysis was developed further for one model, using the model and experimental uncertainties in each validation parameter to calculate validation uncertainties. The uncertainties for each parameter were used to define quantifiable validation criteria. For this analysis, the model was considered validated for a given comparison metric if the normalized error in that metric divided by the validation uncertainty was less than or equal to 1. When considering the combined RMS of the normalized errors of all metrics divided by their validation uncertainties, the model was found to have satisfied the criterion for model validation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Recent Updates in ETOE-2 and MC 2 -3

The MC 2 -3 code is a multigroup cross section generation code for fast reactor applications, developed by Argonne National Laboratory (ANL) under the DOE Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. In this work, first, the cross section libraries for ENDF/B-VII.1 and ENDF/B-VIII.0 data were generated using the updated ETOE-2 code. Preliminary verification and validation tests of the ENDF/B-VII.1 MC 2 -3 library were performed with the selected fast reactor benchmark problems. Processing and verifying the libraries suggested that significant efforts would be required for thoroughly verifying the ENDF/B-VII.1 MC 2 -3 library and successfully processing the ENDF/B-VIII.0 MC 2 -3 library. Secondly, the cross section generation capability of MC 2 -3 was updated with the intermediate group lattice calculation and the equivalent Dancoff-factor cell (EDC) method to significantly improve the performance of a twodimensional assembly calculation using the method of characteristics (MOC). This effort was made useful in implementing and verifying the EDC method in the Griffin cross section API. Finally, we analyzed a SFR problem, for which unusually large deviations in core eigenvalues from Monte Carlo solutions were reported, by generating multigroup cross sections with MC 2 -3, performing core calculations with DIF3D-VARIANT, and analyzing cross section and eigenvalue results against Monte Carlo solutions. The analysis confirmed that the MC 2 -3/DIF3D solutions were in good agreement with Monte Carlo solutions, providing the correct process of accurately generating broad-group cross sections with MC 2 -3

97 MATHEMATICS AND COMPUTING↗

Evaluation of Adaptive Volt-VAR to Mitigate PV Impacts [Slides]

Distributed generation (DG) sources like photovoltaic (PV) systems with advanced inverters are able to perform grid-support functions, like autonomous Volt-VAR that attempts to mitigate voltage issues by injecting or consuming reactive power. However, the Volt-VAR function operates with VAR priority, meaning real power may be curtailed to provide additional reactive power support. Since some locations on the grid may be more prone to higher voltages than others, PV systems installed at those locations may be forced to curtail more power, adversely impacting the value of that PV system. Adaptive Volt-VAR (AVV) could be implemented as an alternative, whereby the Volt-VAR reference voltage changes over time, but this functionality has not been well-explored in the literature. In this work, the potential benefits and grid impacts of AVV were investigated using yearlong quasi-static time-series (QSTS) simulations. After testing a variety of allowable AVV settings, we found that even with aggressive settings AVV resulted in <0.01% real power curtailment and significantly reduced the reactive power support required from the PV inverter compared to conventional Volt-VAR but did not provide much mitigation for extreme voltage conditions. The reactive power support provided by AVV was injected to oppose large deviations in voltage (in either direction), indicating that it could be useful for other applications like reducing voltage flicker or minimizing interactions with other voltage regulating devices.

24 POWER TRANSMISSION AND DISTRIBUTION↗