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At least 793 records · Page 44

SU-E-T-578: MCEBRT, A Monte Carlo Code for External Beam Treatment Plan Verifications

Purpose: Present a new Monte Carlo code (MCEBRT) for patient-specific dose calculations in external beam radiotherapy. The code MLC model is benchmarked and real patient plans are re-calculated using MCEBRT and compared with commercial TPS. Methods: MCEBRT is based on the GEPTS system (Med. Phys. 29 (2002) 835–846). Phase space data generated for Varian linac photon beams (6 – 15 MV) are used as source term. MCEBRT uses a realistic MLC model (tongue and groove, rounded ends). Patient CT and DICOM RT files are used to generate a 3D patient phantom and simulate the treatment configuration (gantry, collimator and couch angles; jaw positions; MLC sequences; MUs). MCEBRT dose distributions and DVHs are compared with those from TPS in absolute way (Gy). Results: Calculations based on the developed MLC model closely matches transmission measurements (pin-point ionization chamber at selected positions and film for lateral dose profile). See Fig.1. Dose calculations for two clinical cases (whole brain irradiation with opposed beams and lung case with eight fields) are carried out and outcomes are compared with the Eclipse AAA algorithm. Good agreement is observed for the brain case (Figs 2-3) except at the surface where MCEBRT dose can be higher by 20%. This is due to better modeling of electron contamination by MCEBRT. For the lung case an overall good agreement (91% gamma index passing rate with 3%/3mm DTA criterion) is observed (Fig.4) but dose in lung can be over-estimated by up to 10% by AAA (Fig.5). CTV and PTV DVHs from TPS and MCEBRT are nevertheless close (Fig.6). Conclusion: A new Monte Carlo code is developed for plan verification. Contrary to phantombased QA measurements, MCEBRT simulate the exact patient geometry and tissue composition. MCEBRT can be used as extra verification layer for plans where surface dose and tissue heterogeneity are an issue.

60 APPLIED LIFE SCIENCES↗

A novel approach to background subtraction in contrast-enhanced dual-energy digital mammography with commercially available mammography devices: Noise minimization

Purpose: Dual-energy image subtraction represents a useful tool to improve the detectability of small lesions, especially in dense breasts. A feature it shares with all x-ray imaging techniques is the appearance of fluctuations in the texture of the background, which can obscure the visibility of interesting details. The aim of the work is to investigate the main noise sources, in order to create a better performing subtraction mechanism. In particular, the structural noise cancellation was achieved by means of a suitable extension of the dual-energy algorithm. Methods: The effect of the cancellation procedure was tested on an analytical simulation of a target with varying structural composition. Subsequently, the subtraction algorithm was also applied to a set of actual radiographs of a breast phantom exhibiting a nonuniform background pattern. The background power spectra of the outcomes were computed and compared to the ones obtained from a standard subtraction algorithm. Results: The comparison between the standard and the proposed cancellations showed an overall suppression of the magnitudes of the spectra, as well as a flattening of the frequency dependence of the structural component of the noise. Conclusions: The proposed subtraction procedure provides an effective cancellation of the residual background fluctuations. When combined with the polychromatic correction already described in a companion publication, it results in a high performing dual-energy subtraction scheme for commercial mammography units.

60 APPLIED LIFE SCIENCES↗

Investigation of LSM-YSZ Composite Cathode Performance Degradation with a Multistep Charge Transfer Model

The long-term performance degradation of LSM/YSZ composite cathodes is investigated via calibrated multiphysics simulation with a multistep oxygen reduction reaction (ORR) model and structural coarsening data from a phase field study. Multiphysics simulations, including a multistep ORR mechanism, are first developed for better understanding of the limiting processes in solid oxide fuel cells. The multistep ORR mechanism includes two parallel pathways, surface pathway and bulk pathway, which consist of elementary reaction steps. The multiphysics model is simultaneously calibrated with experimental polarization curves and impedance behavior for various air/fuel supply conditions. To our knowledge, this is the first time that a multistep ORR model is calibrated with such datasets. Next, the calibrated simulations are utilized to simulate a 2D half-cell constructed with measured microstructural data and random heterogeneity. Finally, the long-term performance degradation of the half-cell is predicted by the calibrated multiphysics model coupled with structural coarsening trends simulated using a phase field-based coarsening model. Degradation of both polarization curves and impedance behavior is investigated. Thorough analyses, including changes of contributions from different pathways, the resistance components, and overall reaction order, are performed to provide more insights into cathode performance degradation due to grain coarsening phenomena.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Sulfur Solubility Testing and Characterization of LAW Phase 1 Matrix Glasses

In this report, the Savannah River National Laboratory (SRNL) provides chemical analysis results for a series of simulated low-activity waste (LAW) glass compositions. These data will be used in the development of improved sulfur solubility models for LAW glass. A procedure developed at Pacific Northwest National Laboratory (PNNL) for producing sulfur saturated melts (SSMs) was carried out at both SRNL and PNNL to fabricate the glasses characterized in this report. This method includes triplicate melting steps with excess sodium sulfate, followed by grinding and washing to remove unincorporated sulfur salts. The wash solutions were also analyzed as part of this study.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Percheron Power – Small Business Vouchers Pilot Program Technology Assistance Report

Battelle Memorial Institute, under U.S. Department of Energy Contract No. DE-AC05-76RL01830 to operate the Pacific Northwest National Laboratory (PNNL), agreed to provide technology assistance to Percheron Power in accordance with Small Business Vouchers Pilot Program Agreement project number 68798. This agreement w as designed to provide assistance to Percheron Power in performing modeling and simulations for the design and optimization of composite Archimedes hydrodynamic screw (AHS) turbines.

42 ENGINEERING↗

Sulfur Solubility Testing and Characterization of Hanford LAW Phase 2, Outer Layer Matrix Glasses

In this report, the Savannah River National Laboratory (SRNL) provides chemical analyses and Product Consistency Test (PCT) results for a series of simulated Low-Activity Waste (LAW) glass compositions. A procedure developed at the Pacific Northwest National Laboratory (PNNL) for producing sulfur saturated melts (SSMs) was carried out at both SRNL and PNNL to fabricate the glasses characterized in this report. This method includes triplicate melting steps with excess sodium sulfate, followed by grinding and washing to remove unincorporated sulfur salts. The wash solutions were also analyzed as part of this study. These data will be used in the development of improved property/composition models for LAW glass.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Sulfur Solubility Testing and Characterization of Hanford LAW Phase 2, Outer Layer Matrix Glasses

In this report, the Savannah River National Laboratory (SRNL) provides chemical analyses and Product Consistency Test (PCT) results for a series of simulated Low-Activity Waste (LAW) glass compositions. A procedure developed at the Pacific Northwest National Laboratory (PNNL) for producing sulfur saturated melts (SSMs) was carried out at both SRNL and PNNL to fabricate the glasses characterized in this report. This method inclu des triplicate melting steps with excess sodium sulfate, followed by grinding and washing to remove unincorporated sulfur salts. The wash solutions were also analyzed as part of this study. These data will be used in the development of improved property/composition models for LAW glass.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

High Temperature Silicon Carbide Receiver Tubes for Concentrating Solar Power

In order for Concentrating Solar Power plants (CSP) to achieve the desired cost breakpoint, significant improvement in performance is required resulting in the need to increase temperatures of fluid systems. A US DOE Small Business Voucher project was established at Sandia to explore the performance characteristics of Ceramic Tubular Products (CTP) silicon carbide TRIPLEX tubes in key categories relating to its performance as a solar receiver in next generation CSP plants. Along these lines, the following research tasks were completed : (1) Solar Spectrum Testing, (2) Corrosion Testing in Molten Chloride Salt, (3) Mechanical Shock Testing, and (4) Thermal Shock Testing. Through the completion of these four tasks, it has been found that the performance of CTP's material across all of these categories is promising, and merits further investigation beyond this initial investigation. Through 50 solar aging cycles, the CTP material exhibited excellent stability to high temperatures in air, exhibited at or above 0.95 absorptance, and had measured emittances within the range of 0.88-0.90. Through molten salt corrosion testing at 750°C it was found that SiC exhibits significantly lower mass change (— 90 times lower) than Haynes 230 during 108 hours of salt exposure. The CTP TRIPLEX material performed significantly better than the SiC monolithic tube material in mechanical shock testing, breaking at an average height of 3 times that for the monolithic tubes. Through simulated rain thermal shock testing of CTP composite tubes at 800°C it was found that CTP's SiC composite tubes were able to survive thermal shock, while the SiC monolithic tubes did not.

14 SOLAR ENERGY↗

NEAMS Workbench and Bison Fuel Performance Remote Application Configuration

The mission of the US Department of Energy (DOE) Nuclear Energy Advanced Modeling and Simulation (NEAMS) Program is to develop, apply, deploy, and support state-of-the-art predictive modeling and simulation tools for the design and analysis of current and future nuclear energy systems. This is accomplished using computing architectures that range from laptops to leadership class facilities. The NEAMS Workbench [1,2,3] initiative will facilitate the transition from conventional computer codes to high-fidelity ones by providing a common analysis environment and interface for model creation, review, execution, output review, and visualization for integrated codes. The BISON fuel performance code [4] is a finite element method (FEM)-based software being developed by multiple organizations led by the Idaho National Laboratory for the US Department of Energy Office of Nuclear Energy. BISON can simulate a variety of fuel and cladding compositions and geometries in varying dimensionalities, depending upon the problem type and complexity, including one-dimensional (1D), 1.5D, 2D axially symmetric (2D-rz), 2D radial-azimuthal (2D-rθ), or 3D models. The NEAMS Workbench allows execution of the BISON fuel performance code on local and remote compute resources. In this report, the detailed instructions of configuring the NEAMS Workbench for remote execution of the BISON fuel performance code on a portable batch system (PBS)-scheduled compute resource, as well the transfer of associated Bison files, is illustrated.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Light Curves and Spectra from Kilonova Models

Kilonovae are the radioactively powered optical/IR transients following a binary neutron star or neutron star black hole merger. A broad grid (varying ejecta mass, velocity, composition) of 900 2D kilonova models were simulated with Monte Carlo on Grizzly, using MPI+OpenMP. The set of models are being compared to observation AT2017gfo (the electromagnetic counterpart of gravitational wave GW170817), and hint at potential fidelity improvements.

79 ASTRONOMY AND ASTROPHYSICS↗

Flowsheet for the Neutralization of Accelerated Basin De-inventory (ABD) Material

Under the Accelerated Basin De-inventory (ABD) program H-Canyon will be dissolving aluminum spent nuclear fuel (ASNF) and then neutralizing that solution without performing head-end strike or uranium recovery operations. After dissolution in H-Canyon the material will be neutralized to a free hydroxide concentration of either 0.6 M or 1.2 M to meet the waste acceptance criteria for transfer to the SRS Concentration, Storage and Transfer Facility (CSTF). In order to ensure the material could be successfully neutralized and transferred, SRNL completed experiments with simulated H-Canyon dissolver solutions. Two bounding simulants were developed based on the expected compositions of ASNF to be dissolved, one containing only Gd as the neutron poison and one containing Fe as an additional poison.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Redox Control for Processing of High-Bi HLW (VSL-18R4400-1, Rev. 0)

This report provides results from tests designed to determine the redox conditions associated with bismuth reduction and the potential for molten bismuth metal formation in a high-Bi HLW glass melt, its role in Inconel metal corrosion, and to identify feed reductant and oxidant contents to avoid issues during melter feed processing. This was accomplished through crucible scale tests and with DM10 melter system tests using simulated high bismuth HLW and a glass composition that performed well during crucible scale and DM100 melter testing.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Modeling Ductile-Phase Toughened Tungsten for Plasma-Facing Materials: Progress in Damage Finite Element Analysis of the Tungsten-Copper Bend Bar Tests

The objective of this study is to investigate the deformation behavior of ductile phase toughened W-composites such as W-Cu and W-Ni-Fe by means of a multiscale finite element model that involves a microstructural dual-phase model where the constituent phases (i.e., W, Cu, Ni-Fe) are finely discretized and are described by a continuum damage model. Such a model is suitable for modeling deformation, cracking, and crack bridging for W-Cu, W-Ni-Fe, and other ductile phase toughened W-composites, or more generally, any multi-phase composite structure where two or more phases undergo cooperative deformation in a composite system. Our current work focuses on simulating the response and damage development of the W-Cu specimen subjected to three-point bending.

Nguyen, Ba Nghiep↗

MAMBA

MAMBA is a general-purpose, liquid-solid surface chemistry solver that simulates the thermo-chemical evolution of compositions on cylindrical metal surfaces. MAMBA models conduction and convection heat transfer through porous media in one (radial) or three (radial, azimuthal, and axial) dimensions, including boiling heat transfer through "chimneys" in a porous CRUD layer. Thermo-chemistry models in MAMBA account for the growth corrosion and CRUD layers on the surface of the metal and can incorporate precipitation of additional species within the porous CRUD. MAMBA also accounts for the erosion of the surface layer through turbulent kinetic energy of a flowing liquid and the dissolution of species into the liquid as temperature changes occur. MAMBA currently includes thermo-chemistry models that account for soluble and precipitate dissolution of species from heat exchanger tubes and stainless steel piping as well as the species associated with CRUD formation on the surface of nuclear fuel rods.

Collins, Benjamin S↗

Role of Core Exit Axial Reflectors for NTP Full Submersion Criticality Accident Mitigation

One of the only design basis accidents currently codified into law for space nuclear systems is the full-submersion criticality accident. This accident scenario prescribes that the reactor core must remain sub-critical in the event of a full water submersion with the control system in the shut-down position. This accident scenario is of particular interest and relevance for nuclear thermal propulsion (NTP) reactors because of their unique core periphery and internal design considerations. In previous work it has been shown that this accident is particularly sever for low-enriched uranium (LEU) fueled NTP cores due to their moderated spectrum and the minimization of parasitic neutron absorption. These then add to the existing problems associated with the numerous voids within the core and the extensive neutron leakage due to its compact size. In this abstract we examine the role of a core exit axial reflector in minimizing the submersion worth of a graphite composite LEU-NTP core. The neutronics simulations were done using the ENDF/B-VII cross-section library in conjunction with MCNP6.1. The MCNP calculations were done using 20000 particles per cycle with 50 inactive and 300 active cycles. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Multi-scale computational analysis of unidirectional carbon fiber reinforced polymer composites under various loading conditions

In this study, a multi-scale computational analysis based on representative volume element (RVE) modeling and molecular dynamics (MD) simulations is developed to investigate the microscopic failure mechanisms of unidirectional (UD) carbon fiber reinforced polymer (CFRP) composites. The average properties of the 200-nm thickness interphase region between fiber and matrix are characterized through MD simulations and an analytical gradient model. The results demonstrate that the interphase region has higher Young’s modulus and strength, compared to the bulk matrix. This stiffened interphase region influences the composite response significantly. Specifically, the traditional two-phase model with zero-thickness interface fails to capture the stress-strain behavior compared to the experimental data. However, by adding the interphase region to a modified RVE model, the accuracy of simulation results will be improved significantly. Furthermore, a coupled experimental-computational micromechanics approach is adopted to calibrate and validate the cohesive parameters of the interface. By including the cohesive interface, our modified RVE model accurately captures the failure strength of the composites. Finally, different failure mechanisms for specimens are investigated using our multi-scale computational framework. In conclusion, the results show that the failure modes of UD CFRP composites are very complex and multiple failure mechanisms co-exist depending on the loading conditions, agreeing well with our experimental analyses.

36 MATERIALS SCIENCE↗

Priming mechanisms providing plants and microbes access to mineral-associated organic matter

Mineral-associated organic matter (MAOM) is considered a stable reservoir for soil nutrients that influences long-term soil carbon (C) and nitrogen (N) dynamics. However, recent experimental and theoretical evidence shows that root exudates may mobilize MAOM, thereby providing plants and microbes access to a large and N-rich pool. Given the mechanisms underlying MAOM C and N mobilization remain largely untested, we examined direct and indirect pathways by which root exudates destabilize this nutrient pool in laboratory mesocosms. We simulated root exudation with 13 C-labeled oxalic acid to test whether root exudates are directly capable of mobilizing MAOM from mineral surfaces; and with 13 C-labeled glucose to test whether indirect stimulation of microbial and extracellular enzyme activity leads to MAOM decomposition. We also tested the potential for oxalic acid and glucose to mobilize MAOM in an additional subset of sterilized soils to clarify the potential for non-microbial pathways of MAOM destabilization. Over the course of the 12-day MAOM incubation with and without simulated exudates, we measured C cycling (CO 2 respiration rates, 13 C–CO 2 efflux), N cycling (inorganic N pools, gross N mineralization) and related microbial processes (enzyme activities and microbial community composition via phospholipid fatty acid analysis). Both of the simulated root exudates enhanced MAOM-C mineralization, with cumulative respiration increasing 35–89% relative to the water-only control. Likewise, glucose additions enhanced the production of an exo-cellulase and a chitinase by up to 130% and 39%, respectively, while oxalic acid enhanced oxidative enzyme activities up to 91% greater than control rates. We observed a positive association between glucose-induced shifts in enzyme activities, MAOM-C mineralization, and gross ammonification. Oxalic acid additions were associated with initial increases in fungal relative abundance and in sterile soils appeared to stimulate the release of metals and dissolved organic nitrogen into exchangeable pools. Our results indicate that common root exudates, like glucose and oxalic acid, can significantly increase the turnover and potential release of C and N from MAOM through indirect (e.g., enzyme induction) and direct (e.g., mobilization of metal oxides) mechanisms.

54 ENVIRONMENTAL SCIENCES↗

TH-E-18A-01: Developments in Monte Carlo Methods for Medical Imaging

Monte Carlo simulation methods are widely used in medical physics research and are starting to be implemented in clinical applications such as radiation therapy planning systems. Monte Carlo simulations offer the capability to accurately estimate quantities of interest that are challenging to measure experimentally while taking into account the realistic anatomy of an individual patient. Traditionally, practical application of Monte Carlo simulation codes in diagnostic imaging was limited by the need for large computational resources or long execution times. However, recent advancements in high-performance computing hardware, combined with a new generation of Monte Carlo simulation algorithms and novel postprocessing methods, are allowing for the computation of relevant imaging parameters of interest such as patient organ doses and scatter-to-primaryratios in radiographic projections in just a few seconds using affordable computational resources. Programmable Graphics Processing Units (GPUs), for example, provide a convenient, affordable platform for parallelized Monte Carlo executions that yield simulation times on the order of 10{sup 7} xray/ s. Even with GPU acceleration, however, Monte Carlo simulation times can be prohibitive for routine clinical practice. To reduce simulation times further, variance reduction techniques can be used to alter the probabilistic models underlying the x-ray tracking process, resulting in lower variance in the results without biasing the estimates. Other complementary strategies for further reductions in computation time are denoising of the Monte Carlo estimates and estimating (scoring) the quantity of interest at a sparse set of sampling locations (e.g. at a small number of detector pixels in a scatter simulation) followed by interpolation. Beyond reduction of the computational resources required for performing Monte Carlo simulations in medical imaging, the use of accurate representations of patient anatomy is crucial to the virtual generation of medical images and accurate estimation of radiation dose and other imaging parameters. For this, detailed computational phantoms of the patient anatomy must be utilized and implemented within the radiation transport code. Computational phantoms presently come in one of three format types, and in one of four morphometric categories. Format types include stylized (mathematical equation-based), voxel (segmented CT/MR images), and hybrid (NURBS and polygon mesh surfaces). Morphometric categories include reference (small library of phantoms by age at 50th height/weight percentile), patient-dependent (larger library of phantoms at various combinations of height/weight percentiles), patient-sculpted (phantoms altered to match the patient's unique outer body contour), and finally, patient-specific (an exact representation of the patient with respect to both body contour and internal anatomy). The existence and availability of these phantoms represents a very important advance for the simulation of realistic medical imaging applications using Monte Carlo methods. New Monte Carlo simulation codes need to be thoroughly validated before they can be used to perform novel research. Ideally, the validation process would involve comparison of results with those of an experimental measurement, but accurate replication of experimental conditions can be very challenging. It is very common to validate new Monte Carlo simulations by replicating previously published simulation results of similar experiments. This process, however, is commonly problematic due to the lack of sufficient information in the published reports of previous work so as to be able to replicate the simulation in detail. To aid in this process, the AAPM Task Group 195 prepared a report in which six different imaging research experiments commonly performed using Monte Carlo simulations are described and their results provided. The simulation conditions of all six cases are provided in full detail, with all necessary data on material composition, source, geometry, scoring and other parameters provided. The results of these simulations when performed with the four most common publicly available Monte Carlo packages are also provided in tabular form. The Task Group 195 Report will be useful for researchers needing to validate their Monte Carlo work, and for trainees needing to learn Monte Carlo simulation methods. In this symposium we will review the recent advancements in highperformance computing hardware enabling the reduction in computational resources needed for Monte Carlo simulations in medical imaging. We will review variance reduction techniques commonly applied in Monte Carlo simulations of medical imaging systems and present implementation strategies for efficient combination of these techniques with GPU acceleration. Trade-offs involved in Monte Carlo acceleration by means of denoising and “sparse sampling” will be discussed. A method for rapid scatter correction in cone-beam CT (<5 min/scan) will be presented as an illustration of the simulation speeds achievable with optimized Monte Carlo simulations. We will also discuss the development, availability, and capability of the various combinations of computational phantoms for Monte Carlo simulation of medical imaging systems. Finally, we will review some examples of experimental validation of Monte Carlo simulations and will present the AAPM Task Group 195 Report. Learning Objectives: Describe the advances in hardware available for performing Monte Carlo simulations in high performance computing environments. Explain variance reduction, denoising and sparse sampling techniques available for reduction of computational time needed for Monte Carlo simulations of medical imaging. List and compare the computational anthropomorphic phantoms currently available for more accurate assessment of medical imaging parameters in Monte Carlo simulations. Describe experimental methods used for validation of Monte Carlo simulations in medical imaging. Describe the AAPM Task Group 195 Report and its use for validation and teaching of Monte Carlo simulations in medical imaging.

60 APPLIED LIFE SCIENCES↗