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DOE OSTI2012

Quality Assurance of Multifractionated Pelvic Interstitial Brachytherapy for Postoperative Recurrences of Cervical Cancers: A Prospective Study

Purpose: To evaluate three-dimensional needle displacements during multifractionated interstitial brachytherapy (BT) for cervical cancers. Methods and Materials: Patients scheduled to undergo pelvic interstitial BT for postoperative and or postradiation vault recurrences were included from November 2009 to December 2010. All procedures were performed under spinal anesthesia. Postprocedure BT planning CT scans were obtained with patients in supine position with arms on the chest (interslice thickness of 3 mm). Thereafter, verification CT was repeated at every alternate fraction. Needle displacements were measured in reference to a relocatable bony point. The mean cranial, caudal, anteroposterior, and mediolateral displacements were recorded. Statistical significance of mean interfraction displacements was evaluated with Wilcoxon Test. Results: Twenty patients were included. Seventeen received boost BT (20 Gy/5 fractions/3 days) after external radiation, three received radical BT alone (36 Gy/9 fractions/5-8 days). An average of three scans (range, 2-3) were available per patient, and 357 needle displacements were analyzed. For the entire study cohort, the average of mean needle displacement was 2.5 mm (range, 0-7.4), 17.4 mm (range, 0-27.9), 1.7 mm (range, 0-6.7), 2.1 mm (range, 0-9.5), 1.7 mm (range, 0-9.3), and 0.6 mm (range, 0-7.8) in cranial, caudal, anterior, posterior, right, and left directions, respectively. The mean displacement in the caudal direction was higher between Days 1 and 2 than that between Days 2 and 3 (13.4 mm vs. 3.8 mm; p = 0.01). The average caudal displacements were no different between reirradiation and boost cohort (15.2 vs. 17.8 mm). Conclusions: Clinically significant caudal displacements occur during multifractionated pelvic brachytherapy. Optimal margins need to be incorporated while preplanning brachytherapy to account for interfraction displacements.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2021

Involute Working Group – FSI Analysis of Fuel Plates Using Finite Volume and Finite Element Methods

The three involute plate research reactors RHF, HFIR, and FRM II have expressed an interest in using computational software to carry their steady-state safety analysis. Since these tools represent a significant departure from the methods used currently (one-dimensional), the acceptability of the new approach by regulators requires thorough verification and validation of these tools. Therefore, Argonne National Laboratory and the three involute-plate reactors formed an informal group called the Involute Working Group aiming at qualifying computational tools to perform steady-state safety analysis. The present report focuses on a comparison of finite volume and finite element methods to model solids in fluid-structure interaction problems with the goal to estimate the coolant flow-induced fuel plate deflections obtained with the two methods. The finite volume method will be obsoleted in STARCCM+ by the end of 2021, nevertheless, this evaluation is important because the method was used by ANL researchers to model the response of the fuel plates, despite its drawbacks, which are discussed in the report. It was essential to check how those estimates compare to the results obtained with the finite element method that is considered superior for structural analysis. Various geometries, i.e., flat, cylindrical and circle-involute fuel plates, as well as coolant flow speed, were considered. The comparison shows that, independently of the plate geometry, the finite volume method significantly underestimates the deflection as compared to finite element method for coarser meshes. When the discretization is developed as a result of a mesh sensitivity study using finite element method, the result obtained using finite volume method can be a few times smaller than the corresponding finite element method solution. A code-to-code comparison , between STAR-CCM+ and LS-DYNA was included in the analysis. Within the LS-DYNA models, two types of finite element formulations were used: solid and shell finite elements. Mesh sensitivity study showed that both approaches converge to a similar value that was obtained with STAR-CCM+ finite element solver. The evaluation of the computational solvers was extended by adding two benchmark cases from the STAR-CCM+ Verification Suite and presented in the Appendix A. The selected cases are: (1) bending of a cantilever beam under external load, and (2) cylindrical shell deformation analysis, known in the literature as ‘Scordelis-Lo roof’. The problems were solved with finite volume, and finite element methods, and the results confirmed the previously discussed findings. The analysis shows that the finite element solver is superior to the finite volume solver in terms of representation of model geometry and estimating the structural behavior of fuel plates. Depending on the ratio of the load to the flexibility of the plate, the finite volume solver can greatly under- or overestimate the structural response if a very carefully selected mesh is not used.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2016

SU-C-201-02: Dosimetric Verification of SBRT with FFF-VMAT Using a 3-D Radiochromic/Optical-CT Dosimetry System

Purpose: With an increasing use of small field size and high dose rate irradiation in the advances of radiotherapy techniques, such as stereotactic body radiotherapy (SBRT) and stereotactic radiosurgery (SRS), an in-depth quality assurance (QA) system is required. The purpose of this study is to investigate a high resolution optical CT-based 3D radiochromic dosimetry system for SBRT with intensity modulated radiotherapy (IMRT) and flattening filter free (FFF) volumetric modulated arc therapy (VMAT). Methods: Cylindrical PRESAGE radiochromic dosimeters of 10cm height and 11cm diameter were used to validate SBRT. Four external landmarks were placed on the surface of each dosimeter to define the isocenter of target. SBRT plans were delivered using a Varian TrueBeam™ linear accelerator (LINAC). Three validation plans, SBRT with IMRT (6MV 600MU/min), FFF-VMAT (10MV 2400MU/min), and mixed FFF-VMAT (6MV 1400MU/min, 10MV 2400MU/min), were delivered to the PRESAGE dosimeters. Each irradiated PRESAGE dosimeter was scanned using a single laser beam optical CT scanner and reconstructed with a 1mm × 1mm high spatial resolution. The comparison of measured dose distributions of irradiated PRESAGE dosimeters to those calculated by Pinnacle{sup 3} treatment planning system (TPS) were performed with a 10% dose threshold, 3% dose difference (DD), and 3mm distance-to-agreement (DTA) Gamma criteria. Results: The average pass rates for the gamma comparisons between PRESAGE and Pinnacle{sup 3} in the transverse, sagittal, coronal planes were 94.6%, 95.9%, and 96.4% for SBRT with IMRT, FFF-VMAT, and mixed FFF-VMAT plans, respectively. A good agreement of the isodose distributions of those comparisons were shown at the isodose lines 50%, 70%, 80%, 90% and 98%. Conclusion: This study demonstrates the feasibility of the high resolution optical CT-based 3D radiochromic dosimetry system for validation of SBRT with IMRT and FFF-VMAT. This dosimetry system offers higher precision QA with 3D dose information for small beams compared to what is currently available.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2015

A framework for collaborative review of candidate events in high data rate streams: The V-FASTR experiment as a case study

“Fast radio transients” are defined here as bright millisecond pulses of radio-frequency energy. These short-duration pulses can be produced by known objects such as pulsars or potentially by more exotic objects such as evaporating black holes. The identification and verification of such an event would be of great scientific value. This is one major goal of the Very Long Baseline Array (VLBA) Fast Transient Experiment (V-FASTR), a software-based detection system installed at the VLBA. V-FASTR uses a “commensal” (piggy-back) approach, analyzing all array data continually during routine VLBA observations and identifying candidate fast transient events. Raw data can be stored from a buffer memory, which enables a comprehensive off-line analysis. This is invaluable for validating the astrophysical origin of any detection. Candidates discovered by the automatic system must be reviewed each day by analysts to identify any promising signals that warrant a more in-depth investigation. To support the timely analysis of fast transient detection candidates by V-FASTR scientists, we have developed a metadata-driven, collaborative candidate review framework. The framework consists of a software pipeline for metadata processing composed of both open source software components and project-specific code written expressly to extract and catalog metadata from the incoming V-FASTR data products, and a web-based data portal that facilitates browsing and inspection of the available metadata for candidate events extracted from the VLBA radio data.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2012

The verification and uncertainty quantification of surrogate models used for structural analysis

High fidelity modeling of complex systems can require large finite element models to capture the physics of interest. Typically these high-order models take an excessively long time to run. For important studies such as model validation and uncertainty quantification, where probabilistic measures of the response are required, a large number of simulations of the high fidelity model with different parameters are necessary. In addition, some environments, such as an extensive random vibration excitation, require a long simulation time to capture the entire event. A process that produces a highly efficient model from the original high order model is necessary to enable these analyses. These highly efficient models are referred to as surrogate models, for their purpose is to represent the main physics that is of importance, but decrease the computational burden. A critical aspect of any surrogate model is how faithfully the efficient model represents the original high-order model. This paper describes the process for verifying a surrogate model using response quantities of interest and quantifying the introduced uncertainties in the use of the surrogate model. This is done to help any analyst if they use any surrogate model; such has, Craig-Bampton Reduc tions, POD, etc.

Ross, Michael↗

NASA NTRS1997

Development of a Software Safety Process and a Case Study of Its Use

Research in the year covered by this reporting period has been primarily directed toward the following areas: (1) Formal specification of user interfaces; (2) Fault-tree analysis including software; (3) Evaluation of formal specification notations; (4) Evaluation of formal verification techniques; (5) Expanded analysis of the shell architecture concept; (6) Development of techniques to address the problem of information survivability; and (7) Development of a sophisticated tool for the manipulation of formal specifications written in Z. This report summarizes activities under the grant. The technical results relating to this grant and the remainder of the principal investigator's research program are contained in various reports and papers. The remainder of this report is organized as follows. In the next section, an overview of the project is given. This is followed by a summary of accomplishments during the reporting period and details of students funded. Seminars presented describing work under this grant are listed in the following section, and the final section lists publications resulting from this grant.

Knight, J. C.↗

DOE OSTI2014

New Whole-House Solutions Case Study: Challenges of Achieving 2012 IECC Air Sealing Requirements in Multifamily Dwellings, Upstate New York

While previous versions of the International Energy Conservation Code (IECC) have included provisions to improve the air tightness of dwellings, for the first time, the 2012 IECC mandates compliance verification through blower door testing. Simply completing the Air Barrier and Insulation Installation checklist through visual inspection is no longer sufficient; the 2012 IECC mandates a significantly stricter air sealing requirement. In Climate Zones 3 through 8, air leakage may not exceed 3 ACH50, which is a significant reduction from the 2009 IECC requirement of 7 ACH50. This requirement is for all residential buildings, which includes low-rise multifamily dwellings. While this air leakage rate requirement is an important component to achieving an efficient building thermal envelope, currently, the code language doesn't explicitly address differences between single family and multifamily applications. In addition, the 2012 IECC does not provide an option to sample dwellings for larger multifamily buildings, so compliance would have to be verified on every unit. With compliance with the 2012 IECC air leakage requirements on the horizon, several of Building America team Consortium for Advanced Residential Building's (CARB) multifamily builder partners are evaluating how best to comply with this requirement. Builders are not sure whether it is more practical or beneficial to simply pay for guarded testing or to revise their air sealing strategies to improve compartmentalization to comply with code requirements based on unguarded blower door testing. This report summarizes CARB's research that was conducted to assess the feasibility of meeting the 2012 IECC air leakage requirements in three multifamily buildings.

air leakage↗

DOE OSTI2017

Numerical Uncertainties vs. Model Uncertainties in Two-phase Flow Simulations

In recent years, verification, validation and uncertainty quantification (VVUQ) have become a common practice in thermal-hydraulics analysis. In general, these activities deal with propagations of uncertainties in computer code simulations, e.g., through system analysis codes. However, most existing such activities in thermal-hydraulics analysis have been primarily focused on model uncertainties, while numerical uncertainties were largely overlooked. Numerical uncertainties (or numerical errors) can appear in many different forms, e.g., round-off error, statistical sampling error, and discretization error. As pointed out by Oberkampf and Roy, discretization error is usually the largest however the most difficult type of error to estimate reliably. In thermal-hydraulics analysis, especially two-phase flow simulations commonly encountered in reactor safety analysis, the lack of consideration on discretization error is mainly due to the difficulty in estimating them. Accurate estimations on discretization error require continuous mesh refinement and/or implementation of high-order numerical schemes in system analysis code, both of which are unfortunately difficult to achieve for existing codes. At first, it should be emphasized that mesh refinement (or mesh sensitivity study) is a well-understood concept in the thermal-hydraulics field. However, it is not commonly practiced for many reasons, e.g., lack of understanding on numerical errors by code users, consideration on computational cost, deteriorated numerical stability performance with refined meshes, and etc. Secondly, high-order (e.g., second-order) numerical schemes are simply unavailable in almost any existing system analysis code. Implementation of high-order numerical schemes in these codes is difficult, if not impossible, given the complexity of these codes. On the other hand, people tend to argue that numerical uncertainties (or discretization error as we have emphasized) are not as important as the commonly large uncertainties in two-phase flow models, e.g., closure correlations. As a result, nodalization is sometimes played unintentionally, or maybe intentionally, to match experimental data, which is referred as 'user effects' or 'compensating errors' in thermal-hydraulics community. Such a practice is highly criticized by Levy. In this work, we will at first build a computer code that incorporates both first-order and second-order numerical methods to solve the two-phase flow problems. The first-order method resembles the one used in many existing system analysis codes; and the second-order method works as the reference to estimate numerical errors. Numerical verifications on spatial discretization schemes will be presented in the form of mesh convergence study. It will also be demonstrated that, in practical scenarios, discretization errors can be as large as, or even larger than, model uncertainties via case studies.

42 ENGINEERING↗

DOE OSTI2014

SU-E-T-189: First Experimental Verification of the Accuracy of Absolute Dose Reconstruction From PET-CT Imaging of Yttrium 90 Microspheres

Purpose: In the past few years there have been numerous proposals for 3D dose reconstruction from the PET-CT imaging of patients undergoing radioembolization treatment of the liver with yttrium-90 microspheres. One of the most promising techniques uses convolution of the measured PET activity distribution with a pre-calculated Monte Carlo dose deposition kernel. The goal of the present study is to experimentally verify the accuracy of this method and to analyze the significance of various error sources. Methods: Optically stimulated luminescence detectors (OSLD) were used (NanoDot, Landauer) in this experiment. Two detectors were mounted on the central axis of a cylinder filled with water solution of yttrium-90 chloride. The total initial activity was 90mCi. The cylinder was inserted in a larger water phantom and scanned on a Siemens Biograph 16 Truepoint PET-CT scanner. Scans were performed daily over a period of 20 days to build a calibration curve for the measured absolute activity spanning 7 yttrium-90 half-lives. The OSLDs were mounted in the phantom for a predetermined period of time in order to record 2Gy dose. The measured dose was then compared to the dose reconstructed from the activity density at the location of each dosimeter. Results: Thorough error analysis of the dose reconstruction algorithm takes into account the uncertainties in the absolute PET activity, branching ratios, and nonlinearity of the calibration curve. The measured dose for 105-minute exposure on day 10 of the experiment was 219(11)cGy, while the reconstructed dose at the location of the detector was 215(47)cGy. Conclusion: We present the first experimental verification of the accuracy of the convolution algorithm for absolute dose reconstruction of yttrium-90 microspheres. The excellent agreement between the measured and calculated point doses will encourage the broad clinical adoption of the convolution-based dose reconstruction algorithm, making future quantitative dose/outcome studies possible.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2022

Microscale Colocalization of Cascade Enzymes Yields Activity Enhancement

Colocalization of cascade enzymes is broadly discussed as a phenomenon that can boost the cascade reaction throughput, although a direct experimental verification is often challenging. This is mainly due to difficulties in establishing proper size regimes and in the analytical quantification of colocalization effect with adequate experimental systems and simulations. In this study, by taking advantage of reversible DNA-directed colocalization of enzymes on microspheres, we established a cascade system that can be used to directly evaluate the colocalization effect with exactly the same experimental settings except for the state of enzyme dispersion. In the regime of highly dilute microspheres of particular sizes, the colocalized cascade shows enhanced activity compared with the freely diffusing cascade, as evidenced by a shortened lag phase in the time-course production. Reaction-diffusion modeling reveals that the enhancement can be ascribed to the initial accumulation of intermediate substrate around the colocalized enzymes and is found to be carrier-size-dependent. Further, this work demonstrates the dependence of the colocalization effect of enzyme cascades on an interplay of nano-and microscales, lending theoretical support to the rational design of highly efficient multienzyme catalysts.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2025

Ba 1−x Sr x FeO 3−δ as an improved oxygen storage material for chemical looping air separation: a computational and experimental study

Chemical looping air separation (CLAS) is a promising technology to generate oxygen-rich gas streams to enable efficient carbon dioxide capture during fossil fuel combustion or gasification. CLAS relies on the capture and release of oxygen from the atmosphere using the redox properties of an oxygen-selective solid oxide carrier. This study investigates the redox characteristics of Ba 1−x Sr x FeO 3−δ (0.0 ≤ x ≤ 0.417, 0.0 ≤ δ ≤ 0.5) using a combination of density functional theory (DFT) calculations and experimental verification using X-ray diffraction, thermogravimetric analysis, and oxygen-temperature-programmed desorption. The DFT computed energies of the Ba 1−x Sr x FeO 3−δ perovskites reveal a composition-dependent transition from hexagonal to cubic phases as the Sr-concentration or oxygen vacancy concentration increases. Oxygen vacancy formation energies of the cubic perovskites are found to be lower than those of their hexagonal counterparts. A low oxygen diffusion barrier of ∼1 eV combined with the thermodynamic preference of Ba 1−x Sr x FeO 3−δ compositions that form in a cubic phase suggests them as promising candidates for oxygen storage applications. The experimental results corroborate this finding by identifying Ba 0.75 Sr 0.25 FeO 3−δ in the cubic phase as an optimal composition offering low-temperature oxygen storage capacities comparable to that of the state-of-the-art Sr 0.75 Ca 0.25 FeO 3−δ perovskite oxygen storage material at 325 °C and 350 °C.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Performance study of a 3×1×1 m 3 dual phase liquid Argon Time Projection Chamber exposed to cosmic rays

We report the results of the analyses of the cosmic ray data collected with a 4 tonne (3×1×1 m 3 ) active mass (volume) Liquid Argon Time-Projection Chamber (TPC) operated in a dual-phase mode. We present a detailed study of the TPC's response, its main detector parameters and performance. The results are important for the understanding and further developments of the dual-phase technology, thanks to the verification of key aspects, such as the extraction of electrons from liquid to gas and their amplification through the entire one square metre readout plain, gain stability, purity and charge sharing between readout views.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2014

Tissue decomposition from dual energy CT data for MC based dose calculation in particle therapy

Purpose: The authors describe a novel method of predicting mass density and elemental mass fractions of tissues from dual energy CT (DECT) data for Monte Carlo (MC) based dose planning. Methods: The relative electron density ϱ{sub e} and effective atomic number Z{sub eff} are calculated for 71 tabulated tissue compositions. For MC simulations, the mass density is derived via one linear fit in the ϱ{sub e} that covers the entire range of tissue compositions (except lung tissue). Elemental mass fractions are predicted from the ϱ{sub e} and the Z{sub eff} in combination. Since particle therapy dose planning and verification is especially sensitive to accurate material assignment, differences to the ground truth are further analyzed for mass density, I-value predictions, and stopping power ratios (SPR) for ions. Dose studies with monoenergetic proton and carbon ions in 12 tissues which showed the largest differences of single energy CT (SECT) to DECT are presented with respect to range uncertainties. The standard approach (SECT) and the new DECT approach are compared to reference Bragg peak positions. Results: Mean deviations to ground truth in mass density predictions could be reduced for soft tissue from (0.5±0.6)% (SECT) to (0.2±0.2)% with the DECT method. Maximum SPR deviations could be reduced significantly for soft tissue from 3.1% (SECT) to 0.7% (DECT) and for bone tissue from 0.8% to 0.1%. MeanI-value deviations could be reduced for soft tissue from (1.1±1.4%, SECT) to (0.4±0.3%) with the presented method. Predictions of elemental composition were improved for every element. Mean and maximum deviations from ground truth of all elemental mass fractions could be reduced by at least a half with DECT compared to SECT (except soft tissue hydrogen and nitrogen where the reduction was slightly smaller). The carbon and oxygen mass fraction predictions profit especially from the DECT information. Dose studies showed that most of the 12 selected tissues would profit significantly (up to 2.2%) from DECT material decomposition with no noise present. The ϱ{sub e} associated with an absolute noise of ±0.01 and Z{sub eff} associated with an absolute noise of ±0.2 resulted in ±10% standard variation in the carbon and oxygen mass fraction prediction. Conclusions: Accurate stopping power prediction is mainly determined by the correct mass density prediction. Theoretical improvements in range predictions with DECT data in the order of 0.1%–2.1% were observed. Further work is needed to quantify the potential improvements from DECT compared to SECT in measured image data associated with artifacts and noise.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2024

Monitoring, Reporting, and Verification Considerations for Carbon Dioxide Removal

The project investigates Measurement, Reporting, and Verification (MRV) methods for Enhanced Weathering and Marine Carbon Dioxide Removal (mCDR) technologies. Enhanced Weathering accelerates natural mineral processes to capture CO2, while mCDR leverages oceanic processes for carbon sequestration. The study focuses on developing standardized MRV protocols, assessing environmental impacts, and evaluating the scalability and economic feasibility of these carbon sequestration methods. The goal is to ensure reliable and transparent data for validating and improving CO2 removal technologies.

Priyadarshini↗

NASA NTRS1971

Digital autopilots: Design considerations and simulator evaluations

The development of a digital autopilot program for a transport aircraft and the evaluation of that system's performance on a transport aircraft simulator is discussed. The digital autopilot includes three axis attitude stabilization, automatic throttle control and flight path guidance functions with emphasis on the mode progression from descent into the terminal area through automatic landing. The study effort involved a sequence of tasks starting with the definition of detailed system block diagrams of control laws followed by a flow charting and programming phase and concluding with performance verification using the transport aircraft simulation. The autopilot control laws were programmed in FORTRAN 4 in order to isolate the design process from requirements peculiar to an individual computer.

Osder, S.↗

NASA NTRS1977

Gaseous fuel reactor systems for aerospace applications

Research on the gaseous fuel nuclear rocket concept continues under the programs of the U.S. National Aeronautics and Space Administration (NASA) Office for Aeronautics and Space Technology and now includes work related to power applications in space and on earth. In a cavity reactor test series, initial experiments confirmed the low critical mass determined from reactor physics calculations. Recent work with flowing UF6 fuel indicates stable operation at increased power levels. Preliminary design and experimental verification of test hardware for high-temperature experiments have been accomplished. Research on energy extraction from fissioning gases has resulted in lasers energized by fission fragments. Combined experimental results and studies indicate that gaseous-fuel reactor systems have significant potential for providing nuclear fission power in space and on earth.

Thom, K.↗

NASA NTRS1979

Physical phenomena in mercury ion thrusters

Experimental tests results demonstrating that reductions in screen grid thickness enhance the performance of ion thruster grids are presented. Shaping of the screen hole cross section is shown on the other hand not to affect performance substantially. The effect of the magnetic field in the vicinity of the hollow cathode on cathode performance is studied and test results are presented that show reductions in keeper voltages of a few volts can be realized by judicious applications of fields on the order of 100 gauss. The plasma downstream of a SERT 2 thruster operating without high voltage is studied. A model describing electron escape from the thruster under these conditions is discussed. A model defining the performance of the baffle aperture of an ion thruster is refined and experimental verification of the model is undertaken.

Wilbur, P. J.↗

NASA NTRS1989

Verification of regional climates of GISS GCM. Part 2: Summer

Verification is made of the synoptic fields, sea-level pressure, precipitation rate, 200mb zonal wind and the surface resultant wind generated by two versions of the Goddard Institute for Space Studies (GISS) climate model. The models differ regarding the horizontal resolution of the computation grids and the specification of the sea-surface temperatures. Maps of the regional distributions of seasonal means of the model fields are shown alongside maps that show the observed distributions. Comparisons of the model results with observations are discussed and also summarized in tables according to geographic region.

Druyan, Leonard M.↗