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At least 1,477 records · Page 82
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DOE OSTI2014

Software Quality Metrics for Geant4: An Initial Assessment - Paper 122

In the context of critical applications, such as shielding and radiation protection, ensuring the quality of simulation software they depend on is of utmost importance. The assessment of simulation software quality is crucial both to determine its adoption in experimental applications and to guarantee reproducibility of outcome over time. Geant4 is a simulation system used in a wide range of experimental applications, some of which, such as radiation protection and biomedical studies, may involve critical use cases and would especially profit from an objective assessment of the software quality. In this study, we present the first results from an ongoing analysis of Geant4 code based on established software metrics from the perspective of software engineering. The analysis evaluates the current status of the code to quantify its characteristics with respect to documented quality standards; further appraisals concern evolutions over a series of release distributions. The quantitative assessment of the software is initially focused on a subset of Geant4 packages, which play a key role in scientific applications and are representative of different software development processes. We describe the chosen software metrics that map the entities of a software system to numeric values through mathematical definitions, quantifying software attributes ranging from functionality to maintainability. To measure such metrics, we exploited a set of software metrics tools, i.e. programs that implement a set of software metrics definitions. They allow software engineers to assess a software system by extracting the required attributes from the software and providing the corresponding metric values. To correlate software metrics values in a well-defined way, we used software quality standard models, such as the ISO/IEC 9126 standard, which aggregate numerical values to aid quality analysis and assessment. With this work we aim to create a baseline for evaluating correlations between software quality embedded in the Geant4 development process and simulation observables produced by Geant4-based applications. Furthermore, we intend to highlight what metrics are most effective at evaluating radiation transport software quality. We are confident that the result will provide constructive guidance both to improve key software tools, such as Geant4, and to estimate their contribution in risk analysis concerning sensitive applications. The remainder of this paper is structured as follows. We first discuss the approach adopted to fulfil our assessment. Then, we present the setup of our experiments and the way we collected data. We provide an initial interpretation of a subset of data resulting from measurements made on the selected Geant4 packages. As the analysis is still ongoing at the time of submitting this abstract, some results will be documented in the final paper and in the conference presentation. With this work we aim to create a proper Geant4 data set for evaluating its software characteristics and identifying both strengths and weaknesses. In this initial study, we considered the geometry and processes packages, which play a major role in most simulation applications. The data analysis is in progress at the time of writing; its complexity is related to the differences among software metrics tools, to the large amount of data to be evaluated and to the pioneering character of this project. We are confident that the results will provide valuable indications for the Geant4 user community and constructive guidance to improve key Geant4 packages. Other Monte Carlo codes could profit from the methodology developed in this pilot project for similar assessments of their software quality. At the end of this study, we intend to create a baseline for evaluating correlations between software quality embedded in the Geant4 development process and simulation observables produced by Geant4-based applications. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2015

The Cementitious Barriers Partnership Experimental Programs and Software Advancing DOE’s Waste Disposal/Tank Closure Efforts – 15436

The U.S. Department of Energy Environmental Management (DOE-EM) Office of Tank Waste Management-sponsored Cementitious Barriers Partnership (CBP) is chartered with providing the technical basis for implementing cement-based waste forms and radioactive waste containment structures for long-term disposal. DOE needs in this area include the following to support progress in final treatment and disposal of legacy waste and closure of High-Level Waste (HLW) tanks in the DOE complex: long-term performance predictions, flow sheet development and flow sheet enhancements, and conceptual designs for new disposal facilities. The DOE-EM Cementitious Barriers Partnership is producing software and experimental programs resulting in new methods and data needed for end-users involved with environmental cleanup and waste disposal. Both the modeling tools and the experimental data have already benefited the DOE sites in the areas of performance assessments by increasing confidence backed up with modeling support, leaching methods, and transport properties developed for actual DOE materials. In 2014, the CBP Partnership released the CBP Software Toolbox –“Version 2.0” which provides concrete degradation models for 1) sulfate attack, 2) carbonation, and 3) chloride initiated rebar corrosion, and includes constituent leaching. These models are applicable and can be used by both DOE and the Nuclear Regulatory Commission (NRC) for service life and long-term performance evaluations and predictions of nuclear and radioactive waste containment structures across the DOE complex, including future SRS Saltstone and HLW tank performance assessments and special analyses, Hanford site HLW tank closure projects and other projects in which cementitious barriers are required, the Advanced Simulation Capability for Environmental Management (ASCEM) project which requires source terms from cementitious containment structures as input to their flow simulations, regulatory reviews of DOE performance assessments, and Nuclear Regulatory Commission reviews of commercial nuclear power plant (NPP) structures which are part of the overall US Energy Security program to extend the service life of NPPs. In addition, the CBP experimental programs have had a significant impact on the DOE complex by providing specific data unique to DOE sodium salt wastes at Hanford and SRS which are not readily available in the literature. Two recent experimental programs on cementitious phase characterization and on technetium (Tc) mobility have provided significant conclusions as follows: recent mineralogy characterization discussed in this paper illustrates that sodium salt waste form matrices are somewhat similar to but not the same as those found in blended cement matrices which to date have been used in long-term thermodynamic modeling and contaminant sequestration as a first approximation. Utilizing the CBP generated data in long-term performance predictions provides for a more defensible technical basis in performance evaluations. In addition, recent experimental studies related to technetium mobility indicate that conventional leaching protocols may not be conservative for direct disposal of Tc-containing waste forms in vadose zone environments. These results have the potential to influence the current Hanford supplemental waste treatment flow sheet and disposal conceptual design.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2014

SU-E-T-362: Automatic Catheter Reconstruction of Flap Applicators in HDR Surface Brachytherapy

Purpose: Catheter reconstruction is crucial for the accurate delivery of radiation dose in HDR brachytherapy. The process becomes complicated and time-consuming for large superficial clinical targets with a complex topology. A novel method for the automatic catheter reconstruction of flap applicators is proposed in this study. Methods: We have developed a program package capable of image manipulation, using C++class libraries of The-Visualization-Toolkit(VTK) software system. The workflow for automatic catheter reconstruction is: a)an anchor point is placed in 3D or in the axial view of the first slice at the tip of the first, last and middle points for the curved surface; b)similar points are placed on the last slice of the image set; c)the surface detection algorithm automatically registers the points to the images and applies the surface reconstruction filter; d)then a structured grid surface is generated through the center of the treatment catheters placed at a distance of 5mm from the patient's skin. As a result, a mesh-style plane is generated with the reconstructed catheters placed 10mm apart. To demonstrate automatic catheter reconstruction, we used CT images of patients diagnosed with cutaneous T-cell-lymphoma and imaged with Freiburg-Flap-Applicators (Nucletron™-Elekta, Netherlands). The coordinates for each catheter were generated and compared to the control points selected during the manual reconstruction for 16catheters and 368control point Results: The variation of the catheter tip positions between the automatically and manually reconstructed catheters was 0.17mm(SD=0.23mm). The position difference between the manually selected catheter control points and the corresponding points obtained automatically was 0.17mm in the x-direction (SD=0.23mm), 0.13mm in the y-direction (SD=0.22mm), and 0.14mm in the z-direction (SD=0.24mm). Conclusion: This study shows the feasibility of the automatic catheter reconstruction of flap applicators with a high level of positioning accuracy. Implementation of this technique has potential to decrease the planning time and may improve overall quality in superficial brachytherapy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

The 3D-HST survey: Hubble Space Telescope WFC3/G141 GRISM spectra, Redshifts, and emission line measurements for ∼100,000 galaxies

We present reduced data and data products from the 3D-HST survey, a 248-orbit HST Treasury program. The survey obtained WFC3 G141 grism spectroscopy in four of the five CANDELS fields: AEGIS, COSMOS, GOODS-S, and UDS, along with WFC3 H {sub 140} imaging, parallel ACS G800L spectroscopy, and parallel I {sub 814} imaging. In a previous paper, we presented photometric catalogs in these four fields and in GOODS-N, the fifth CANDELS field. Here we describe and present the WFC3 G141 spectroscopic data, again augmented with data from GO-1600 in GOODS-N (PI: B. Weiner). We developed software to automatically and optimally extract interlaced two-dimensional (2D) and one-dimensional (1D) spectra for all objects in the Skelton et al. (2014) photometric catalogs. The 2D spectra and the multi-band photometry were fit simultaneously to determine redshifts and emission line strengths, taking the morphology of the galaxies explicitly into account. The resulting catalog has redshifts and line strengths (where available) for 22,548 unique objects down to JH{sub IR}⩽24 (79,609 unique objects down to JH{sub IR}⩽26). Of these, 5459 galaxies are at z>1.5 and 9621 are at 0.7<z<1.5, where Hα falls in the G141 wavelength coverage. The typical redshift error for JH{sub IR}⩽24 galaxies is σ{sub z}≈0.003×(1+z), i.e., one native WFC3 pixel. The 3σ limit for emission line fluxes of point sources is 2.1×10{sup −17} erg s{sup −1} cm{sup −2}. All 2D and 1D spectra, as well as redshifts, line fluxes, and other derived parameters, are publicly available.{sup 18}.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

The cementitious barriers partnership experimental programs and software advancing DOE's waste disposal/tank closure efforts - 15436

The U.S. Department of Energy Environmental Management (DOE-EM) Office of Tank Waste Management sponsored Cementitious Barriers Partnership (CBP) is chartered with providing the technical basis for implementing cement-based waste forms and radioactive waste containment structures for long-term disposal. DOE needs in this area include the following to support progress in final treatment and disposal of legacy waste and closure of High-Level Waste (HLW) tanks in the DOE complex: - Long-term performance predictions and - Flow sheet development and flow sheet enhancements - Conceptual designs for new disposal facilities The DOE-EM Cementitious Barriers Partnership is producing software and experimental programs resulting in new methods and data needed for end-users involved with environmental cleanup and waste disposal. Both the modeling tools and the experimental data have already benefited the DOE sites in the areas of performance assessments by increasing confidence backed up with modeling support, leaching methods, and transport properties developed for actual DOE materials. In 2014, the CBP Partnership released the CBP Software Toolbox - 'Version 2.0' which provides concrete degradation models for: 1) sulfate attack, 2) carbonation, 3) chloride initiated rebar corrosion, and includes constituent leaching. These models are applicable and can be used by both DOE and the Nuclear Regulatory Commission (NRC) for service life and long-term performance evaluations and predictions of nuclear and radioactive waste containment structures across the DOE complex (Figure 1) including Future SRS salt-stone and HLW tank performance assessments and special analyses - Hanford site HLW tank closure projects and other projects in which cementitious barriers are required - The Advanced Simulation Capability for Environmental Management (ASCEM) project which requires source terms from cementitious containment structures as input to their flow simulations - Regulatory reviews of DOE performance assessments - Nuclear Regulatory Commission reviews of commercial nuclear power plant (NPP) structures which are part of the overall US Energy Security program to extend the service life of NPPs In addition, the CBP experimental programs have had a significant impact on the DOE complex by providing specific data unique to DOE sodium salt wastes at Hanford and SRS which are not readily available in the literature. Two recent experimental programs on cementitious phase characterization and on technetium (Tc) mobility have provided significant conclusions as summarized below: Recent mineralogy characterization discussed in this paper illustrates that sodium salt waste form matrices are somewhat similar to but not the same as those found in blended cement matrices which to date have been used in long-term thermodynamic modeling and contaminant sequestration as a first approximation. Utilizing the CBP generated data in long-term performance predictions provides for a more defensible technical basis in performance evaluations. - In addition, recent experimental studies related to technetium mobility indicate that conventional leaching protocols may not be conservative for direct disposal of Tc- containing waste forms in vadose zone environments. These results have the potential to influence the current Hanford supplemental waste treatment flow sheet and disposal conceptual design. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2013

Molecular radiotherapy: The NUKFIT software for calculating the time-integrated activity coefficient

Purpose: Calculation of the time-integrated activity coefficient (residence time) is a crucial step in dosimetry for molecular radiotherapy. However, available software is deficient in that it is either not tailored for the use in molecular radiotherapy and/or does not include all required estimation methods. The aim of this work was therefore the development and programming of an algorithm which allows for an objective and reproducible determination of the time-integrated activity coefficient and its standard error.Methods: The algorithm includes the selection of a set of fitting functions from predefined sums of exponentials and the choice of an error model for the used data. To estimate the values of the adjustable parameters an objective function, depending on the data, the parameters of the error model, the fitting function and (if required and available) Bayesian information, is minimized. To increase reproducibility and user-friendliness the starting values are automatically determined using a combination of curve stripping and random search. Visual inspection, the coefficient of determination, the standard error of the fitted parameters, and the correlation matrix are provided to evaluate the quality of the fit. The functions which are most supported by the data are determined using the corrected Akaike information criterion. The time-integrated activity coefficient is estimated by analytically integrating the fitted functions. Its standard error is determined assuming Gaussian error propagation. The software was implemented using MATLAB.Results: To validate the proper implementation of the objective function and the fit functions, the results of NUKFIT and SAAM numerical, a commercially available software tool, were compared. The automatic search for starting values was successfully tested for reproducibility. The quality criteria applied in conjunction with the Akaike information criterion allowed the selection of suitable functions. Function fit parameters and their standard error estimated by using SAAM numerical and NUKFIT showed differences of <1%. The differences for the time-integrated activity coefficients were also <1% (standard error between 0.4% and 3%). In general, the application of the software is user-friendly and the results are mathematically correct and reproducible. An application of NUKFIT is presented for three different clinical examples.Conclusions: The software tool with its underlying methodology can be employed to objectively and reproducibly estimate the time integrated activity coefficient and its standard error for most time activity data in molecular radiotherapy.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2014

Dynamic tumor tracking using the Elekta Agility MLC

Purpose: To evaluate the performance of the Elekta Agility multileaf collimator (MLC) for dynamic real-time tumor tracking. Methods: The authors have developed a new control software which interfaces to the Agility MLC to dynamically program the movement of individual leaves, the dynamic leaf guides (DLGs), and the Y collimators (“jaws”) based on the actual target trajectory. A motion platform was used to perform dynamic tracking experiments with sinusoidal trajectories. The actual target positions reported by the motion platform at 20, 30, or 40 Hz were used as shift vectors for the MLC in beams-eye-view. The system latency of the MLC (i.e., the average latency comprising target device reporting latencies and MLC adjustment latency) and the geometric tracking accuracy were extracted from a sequence of MV portal images acquired during irradiation for the following treatment scenarios: leaf-only motion, jaw + leaf motion, and DLG + leaf motion. Results: The portal imager measurements indicated a clear dependence of the system latency on the target position reporting frequency. Deducting the effect of the target frequency, the leaf adjustment latency was measured to be 38 ± 3 ms for a maximum target speed v of 13 mm/s. The jaw + leaf adjustment latency was 53 ± 3 at a similar speed. The system latency at a target position frequency of 30 Hz was in the range of 56–61 ms for the leaves (v ≤ 31 mm/s), 71–78 ms for the jaw + leaf motion (v ≤ 25 mm/s), and 58–72 ms for the DLG + leaf motion (v ≤ 59 mm/s). The tracking accuracy showed a similar dependency on the target position frequency and the maximum target speed. For the leaves, the root-mean-squared error (RMSE) was between 0.6–1.5 mm depending on the maximum target speed. For the jaw + leaf (DLG + leaf) motion, the RMSE was between 0.7–1.5 mm (1.9–3.4 mm). Conclusions: The authors have measured the latency and geometric accuracy of the Agility MLC, facilitating its future use for clinical tracking applications.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

An Approach to Assessing the Added Mass for a Plate in a Channel

The Global Threat Reduction initiative (GTRI) was established by the National Nuclear Security Administration (NNSA) in 2004. One of the highlights of the program is to convert research and test reactors at home and abroad from Highly Enriched Uranium (HEU) to Low Enriched Uranium (LEU) fuels. By switching directly from HEU to LEU, an LEU reactor produces fewer neutrons than an HEU reactor, and in some cases, a direct switch from HEU to LEU results in the reactor being unable to achieve criticality. Under certain circumstances, criticality is achieved and the original neutron fluxes are restored with LEU fuel by adding more fuel elements to the core. Not all reactors, exemplified by the Advanced Test Reactor (ATR) at the Idaho National Lab (INL), have the luxury of simply adding more fuel to the core. In such cases, entirely new designs must be created and tested. The ATR utilizes plate type fuel. During the design and testing of the ATR fuel, flow induced vibrations were identified as potential source for experiment and fuel failure. Flow induced vibrations are problematic to solve because both the frequency of excitation and the modal frequencies of the object need to be determined. For the frequency of the object the frequency is often determined, either theoretically or experimentally without any influence of fluid. When a fluid is introduced, the fundamental frequency of an object can be greatly reduced allowing for resonance between the excitation frequency and the fundamental frequency of the plate. The consequence of such resonance is often failure of the component. Current methods for determining the frequency of a body immersed in a fluid requires the use of multi-physics software in order to determine (if at all possible) the frequency of the object. The work herein provides an alternative means of calculating the frequency of a plate by combining plate frequency theory to determine the added mass on the plate when in the presence of narrow channels. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2013

Characterization of Oxy-combustion Impacts in Existing Coal-fired Boilers

Reaction Engineering International (REI) managed a team of experts from University of Utah, Siemens Energy, Praxair, Vattenfall AB, Sandia National Laboratories, Brigham Young University (BYU) and Corrosion Management Ltd. to perform multi-scale experiments, coupled with mechanism development, process modeling and CFD modeling, for both applied and fundamental investigations. The primary objective of this program was to acquire data and develop tools to characterize and predict impacts of CO{sub 2} flue gas recycle and burner feed design on flame characteristics (burnout, NO{sub x}, SO{sub x}, mercury and fine particle emissions, heat transfer) and operational concerns (fouling, slagging and corrosion) inherent in the retrofit of existing coal-fired boilers for oxy-coal combustion. Experimental work was conducted at Sandia National Laboratories’ Entrained Flow Reactor, the University of Utah Industrial Combustion Research Facility, and Brigham Young University. Process modeling and computational fluid dynamics (CFD) modeling was performed at REI. Successful completion of the project objectives resulted in the following key deliverables: 1) Multi-scale test data from 0.1 kW bench-scale, 100 kW and 200 kW laboratory-scale, and 1 MW semi-industrial scale combustors that describe differences in flame characteristics, fouling, slagging and corrosion for coal combustion under air-firing and oxygen-firing conditions, including sensitivity to oxy-burner design and flue gas recycle composition. 2) Validated mechanisms developed from test data that describe fouling, slagging, waterwall corrosion, heat transfer, char burnout and sooting under coal oxy-combustion conditions. The mechanisms were presented in a form suitable for inclusion in CFD models or process models. 3) Principles to guide design of pilot-scale and full-scale coal oxy-firing systems and flue gas recycle configurations, such that boiler operational impacts from oxy-combustion retrofits are minimized. 4) Assessment of oxy-combustion impacts in two full-scale coal-fired utility boiler retrofits based on computational fluid dynamics (CFD) modeling of air-fired and oxygen-fired operation. This research determined that it is technically feasible to retrofit the combustion system in an air-fired boiler for oxy-fired operation. The impacts of CO{sub 2} flue gas recycle and burner design on flame characteristics (burnout, NO{sub x}, SO{sub x}, mercury and fine particle emissions, heat transfer) and operational concerns (fouling, slagging and corrosion) were minimal, with the exception of high sulfur levels resulting from untreated flue gas recycle with medium and high-sulfur coals. This work focused on combustion in the radiant and convective sections of the boiler and did not address boiler system integration issues, plant efficiencies, impacts on downstream air pollution control devices, or CO{sub 2} capture and compression. The experimental data, oxy-firing system principles and oxy-combustion process mechanisms provided by this work can be used by electric utilities, boiler OEMs, equipment suppliers, design firms, software vendors, consultants and government agencies to assess retrofit applications of oxy-combustion technologies to existing boilers and to guide development of new designs.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2019

Execution Strategy Analysis (ESA) Origin Sites Readiness Model - 19073

This is a technical paper that does not take into account the contractual limitations under the Standard Contract for Disposal of Spent Nuclear Fuel and/or High-Level Radioactive Waste (Standard Contract) (10 CFR Part 961). Under the provisions of the Standard Contract, DOE does not consider spent nuclear fuel in multi-assembly canisters to be an acceptable waste form, absent a mutually agreed to contract amendment. To the extent discussions or recommendations in this paper conflict with the provisions of the Standard Contract, the Standard Contract provisions prevail. The DOE Office of Nuclear Energy (DOE-NE) Office of Spent Fuel and Waste Disposition (SFWD) Integrated Waste Management System (IWMS) program is developing an Execution Strategy Analysis (ESA) Origin Sites Readiness Model using the Goldsim{sup TM} software application to provide information on potential future approaches for removing SNF and HLW from origin sites such as commercial nuclear power plant sites. The purpose of this ESA model is to apply integrated waste management system analysis, system engineering, and decision analysis principles to inform future decisions regarding potential future nuclear waste management system architectures. The ESA Origin Sites Readiness Model is a dynamic simulation modeling capability. It is developed for use in the analysis and comparison of potential future implementation strategies associated with an integrated nuclear waste management program. The model is designed to be independent of the destination of the SNF or HLW so the results from the Origin Sites Readiness Model are equally applicable to a wide range of scenarios involving shipments to generic destinations in an integrated waste management system. The model explicitly takes significant assumptions, uncertainties, and risks into account. Currently, the ESA Origin Sites Readiness Model includes 14 shutdown sites (Maine Yankee, Yankee Rowe, Connecticut Yankee, Vermont Yankee, La Crosse, Big Rock Point, Zion, Kewaunee, Fort Calhoun, Trojan, Rancho Seco, Humboldt Bay, San Onofre, and Crystal River) and is designed to be modular so that other sites can be added in the future. The model also includes multiple transportation modes (heavy haul truck, rail, and barge), activities related to the acquisition of transportation assets such as railcars and transportation casks, and site-specific considerations of on-site and near-site transportation infrastructure. The model was developed using the ESA process with Subject Matter Experts (SME); it incorporates uncertainty and risks and provides a structured, systematic methodology for evaluating potential SNF campaign scenarios. The model also complements other system-level logistics tools being developed by SFWD. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

COUPLING OF RELAP5-SCDAP MOD4.0 AND NEUTRONIC CODES

High-fidelity and accurate nuclear system codes play a key role in the design and analysis of complex nuclear power plants, which consist of multiple subsystems, such as the reactor core (and its fuel, burnable poisons, control elements, etc.), the reactor internal structures, the vessel, and the energy conversion subsystem and beyond to grid demand. Most commonly the interplay between these various subsystems is modeled using coupled codes, each of which represents one of the subsystems. And the most common direct coupling is that of thermal-hydraulics and neutronics codes. The subject of this paper is the coupling of codes that model not only thermal-hydraulics and neutronics, but also structural components damage. Furthermore, the neutronic component is not limited to the sole core solver. The coupled code system encompasses thermal-hydraulics, material performance of the fuel, neutronic solver, and neutronic data preparation. Thus, this paper presents a framework for coupling RELAP5/SCDAPSIM/MOD4.0 with a suite of neutron kinetics codes that includes NESTLE, DRAGON and a version of the ENDF library. The version of the RELAP5/SCDAPSIM/MOD4.0 code used in this work is one developed by Innovate System Software (ISS) as part of the international SCDAP Development and Training Program (SDTP) for best-estimate analysis to model reactor transients including severe accident phenomena. This RELAP5/SCDAPSIM/MOD4.0 code version is also capable of predicting nuclear fuel performance. It uses nodal power distributions to calculate mechanical and thermal parameters such as heat-up, oxidation and meltdown of fuel rods and control rods, the ballooning and rupture of fuel rod cladding, the release of fission products from fuel rods, and the disintegration of fuel rods into porous debris and molten material. On the neutronics side, this work uses the NESTLE and DRAGON codes. NESTLE is a multi-dimensional static and kinetic neutronic code developed at North Carolina State University. It solves up to four energy groups neutron diffusion equations utilizing the Nodal Expansion Method (NEM) in Cartesian or hexagonal geometry. The DRAGON code, developed at Ecole Polytechnique de Montreal, performs lattice physics calculations based on the neutron transport equation and is capable of using very fine energy group structures. In this work, we have developed a coupling approach to exchange data among the various modules. In the coupling process, the generated nuclear data (in fine multigroup energy structure) are collapsed down into two- or four-group energy structures for use in NESTLE. The neutron kinetics and thermal-hydraulics modules are coupled at each time step by using the cross-section data. The power distribution results of the neutronic calculations are transmitted to the thermal-hydraulics code. The spatial distribution of coolant density and the fuel-moderator temperature, which result from the thermal-hydraulic calculations, are transmitted back to the neutron kinetics codes and then the loop is closed using new neutronics results. Details of the actual data transfers will be described in the full length paper.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Retaining Systems Engineering Model Meaning Through Transformation: Demo 2

Digital engineering strategies typically assume that digital engineering models interoperate seamlessly across the multiple different engineering modeling software applications involved, such as model- based systems engineering (MBSE), mechanical computer-aided design (MCAD), electrical computer-aided design (ECAD), and other engineering modeling applications. The presumption is that the data schema in these modeling software applications are structured in the familiar flat- tabular schema like any other software application. Engineering domain-specific applications (e.g., systems, mechanical, electrical, simulation) are typically designed to solve domain-specific problems, necessarily excluding explicit representations of non-domain information to help the engineer focus on the domain problems (system definition, design, simulation). Such exclusions become problematic in inter-domain information exchange. The obvious assumptions of one domain might not be so obvious to experts in another domain. Ambiguity in domain-specific language can erode the ability to enable different domain modeling applications to interoperate, unless the underlying language is understood and used as the basis for translation from one application to another. The engineering modeling software application industry has struggled for decades to enable these applications to interoperate. Industry standards have been developed, but they have not unified the industry. Why is this? The authors assert that the industry has relied on traditional database integration methods. The basic issue prohibiting successful application integration then is that traditional database-driven integration does not consider the distinct languages of each domain. An engineering models meaning is expressed through the underlying language of that engineering domain. In essence, traditional integration methods do not retain the semantic context (meaning) of the model. The basis of this research stems from the widely held assumption that systems engineering models are (or can be) structured according to the underlying semantic ontology of the model. This assumption can be imagined from two thoughts. 1) Digital systems engineering models are often represented using graph theory (the graph of a complex systems model can contain millions of nodes and edges). When examining the nodes one at a time and following the outbound edges of each node one by one, one can end up with rudimentary statements about the model (i.e., node A relates to node B), as in a semantic graph. 2) Likewise, from the study of natural languages, a sentence can be structured into unambiguous triples of subject-predicate-object within formal and highly expressive semantic ontologies. The rudimentary statements about a systems model discerned with graph theory closely mimic the triples used in the ontologies that try to structure natural languages. In other words, a systems models semantic graph can be (or is) structured into an ontology. Additionally, it is well established in industry that through natural language processing (NLP), which provides the means to create language structures, that computers can interpret ontological graphs. Therefore, the authors hypothesized that if the integrity of the underlying semantic structure of a systems model is retained, the contextual meaning of the model is retained. By structuring system models into the triples of the underlying ontology during the transformation from one MBSE application to another, the authors have provided a proof of the concept that the meaning of a system model can be retained during transformation. The authors assert that this is the missing ingredient in effective systems model-to-model interoperability. ACKNOWLEDGEMENTS The authors would like to thank the FY19 Model Interoperability team members who provided a solid foundation for the FY20 team to leverage: John McCloud, for the work he did to guide us toward the right use of technology that will appropriately discover and manipulate ontologies. Carlos Tafoya, for the work he did to develop an application programming interface (API)/Adapter that would export ontology-based data from GENESYS. Peter Chandler, for the work he did to architect our overall integration solution, with an eye toward the future that would influence a large-scale federated production-level systems engineering digital model ecosystem.

42 ENGINEERING↗
DOE OSTI2020

Assessment of the Griffin Reactor Multiphysics Application Using the Empire Micro Reactor Design Concept

In late 2019, INL and ANL agreed to jointly develop the reactor physics code named Griffin based on the integration of the two code suites, MAMMOTH/Rattlesnake (INL) and MC2 - 3/PROTEUS (ANL). Griffin is being developed based on the MOOSE framework and MOOSE quality assurance procedures. This decision was made to be able to allow DOE-NE to efficiently invest funding to this area and to provide effective and timely support for existing and potential users; the latter includes industry and government organizations who are developing various types of advanced reactors in the near and long term. Since MAMMOTH/Rattlesnake has been developed based on the MOOSE framework, the INL/ANL Griffin development team agreed to build Griffin beginning with a merger of MAMMOTH and Rattlesnake into a single code and moving forward by implementing capabilities from the PROTEUS suite into Griffin. Moving forward, both ANL and INL efforts are equally invested in the Griffin project, with management support, to provide an advanced reactor multiphysics tool to assist in reactor design, optimization, and safety analysis. Much work remains in moving Griffin forward to migrate PROTEUS capabilities and to optimize performance to meet user needs. The main objective of this work is to assess the current status of Griffin capabilities in terms of performance and accuracy, to determine priorities for PROTEUS migration, and to identify capabilities and features to improve for supporting the code integration effort. For this assessment, the Empire micro reactor problem that was developed in the ARPA-E MEITNER program was selected as an advance reactor concept of interest to the technical community. The Empire reactor problem was expanded from its original incomplete specification to be a small heat-pipe-cooled micro reactor core with ~113 cm radius and 70 cm in height, composed of 18 fuel assemblies, 12 control drums, and beryllium radial and axial reflectors. In the current model, using 5 cm axial reflectors specified in the original Empire assembly model, more than 10% of neutrons leak axially and through the empty center safety hole, as well as through heat pipe channels in fuel assembly elements that extend through the top reflector region. Several calculation models of the core were defined for systematic assessment, including 2-D and 3-D fuel assemblies and whole cores with cylindrical boundaries. Cross sections were generated using Serpent 2, and meshes were produced using the Argonne mesh tool or the INL neutronics meshing tools combined with CUBIT. Cross sections and meshes were converted to the ISOXML and Exodus formats, respectively, so that Griffin and PROTEUS could use consistent data for solving the reactor problems. With the prepared cross sections and meshes, PROTEUS was run first to ensure that all input data were correctly generated and input options in terms of angle, mesh, and energy group were accurately determined. Comparisons against Serpent 2 solutions were made in terms of eigenvalue and pin power. The same calculations and comparisons were then conducted using Griffin. For the fuel assembly and whole core problems, the PROTEUS eigenvalues agreed well with reference Serpent 2 solutions within 100 and 30 pcm, respectively, and pin power differences relative to Serpent 2 were overall less than 2.2% and RMS 0.8% for the whole core models. This indicated that all input data were properly prepared. Using the same data, Griffin was run selecting the SAAF-CFEM SN solver with Legendre-Gaussian quadrature and NDA and DSA for acceleration. It was found that the SAAF-CFEM solver of Griffin required finer meshes to achieve eigenvalue and pin power solutions in good agreement with Serpent 2, consequently requiring more memory requirement and longer computation time. On the other hand, the SPH-Diffusion 2-D core calculations performed using Griffin were able to recover the exact eigenvalue from the reference Serpent 2 solutions, resulting in a pin-power distribution with an RMS of 0.6% and maximum absolute difference of less than 1.4%. The runtimes for SPH-Diffusion for the 2-D core were less than 3 minutes on 40 cores. During this evolution of this evaluation, many updates were made in Griffin by the Griffin development team of INL (focusing on software updates) and ANL (reviewing and supporting software updates) to complete this assessment. Observations from the code assessment are presented in the conclusion section of this report, followed by a discussion of recommendations for future work.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

ARC Software Validation Work for the FFTF Reactor

Extensive efforts have been carried out at ANL for the verification and validation of the Argonne Reactor Codes (ARC) software package currently used for the design of Versatile Test Reactor (VTR). The ARC software package consists of steady state neutronics and thermal hydraulics modeling capabilities which are being used by the VTR program to develop most of the VTR reactor design details which will be part of the licensing application. It is anticipated that this software will continue to be used for the design work and for initial operations although additional software may be introduced at a later time. The validation work was focused primarily on obtaining validation data consistent with VTR and usable for the ARC software. Because no critical facilities or operating fast spectrum reactors are available to do experiments for the VTR, the next best option is to identify historical experimental data that can be used as validation data. Early on in VTR, the ZPPR-15 set of experiments was identified as good validation data because of 1) the availability and quality of the data, 2) existing staff that are already familiar with the experimental machine and measurements, 3) most of the ZPPR-15 loadings of interest have already been processed into ARC models, and 4) a full uncertainty quantification has already been done for several loadings of ZPPR-15. The FFTF startup and operations data was identified as the most consistent reactor type that has validation data usable for VTR. Finally, the EBR-II fuel depletion measurements were identified as the best available validation data for VTR. It is important to note that both the FFTF and EBR-II reactors typically come with higher uncertainties than the ZPPR. In the frame of the discussed verification and validation efforts, the present document discusses the analysis of selected FFTF measurements included in the benchmark specifications of the International Reactor Physics Experiment (IRPhE) handbook. The FFTF reactor core configurations from the benchmark specification are presented in Section 2. The analysis is performed with the use of the ARC code suite available at ANL for fast reactor studies and is discussed in Section 3. The reactor parameters from the benchmark include criticality, neutron spectra, effective delayed neutron spectra, control rod worth, isothermal temperature coefficient and low energy gamma-ray spectra. The calculated values and the comparison with the experimental data is discussed in Sections 4 to 9 for each considered reactor parameter. Finally, conclusions are presented in Section 10.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Precursor Analysis Report: Cyber Attack on Thyssenkrupp Blast Furnace 2014

The Cyber Attack on Thyssenkrupp Blast Furnace 2014 Precursor Analysis Report leverages publicly available information about the Thyssenkrupp Steel Mill cyber attack and catalogs anomalous observables for each technique employed in the attack. This analysis is based upon the methodology of the Cybersecurity for the Operational Technology Environment (CyOTE) program. In December 2014, the German Government’s Federal Office for Information Security (BSI) released a report detailing a cyber attack on a German steel mill that occurred earlier that year, though exact dates and details of the attack were not revealed. While the report did not specify the name of the company, multiple sources identified the victim as one of Europe’s largest steel manufacturers, Thyssenkrupp AG. Further, Thyssenkrupp announced on 16 May of that year that Europe’s largest blast furnace, “Schwelgern 2,” located at its facility in Duisburg, Germany, would be offline for several weeks for repairs and upgrades, suggesting Schwelgern 2 was likely the target of the attack. The attack began in early 2014, when adversaries infiltrated the victim steel mill’s Information Technology (IT) network via a spearphishing campaign, then worked their way into the Operational Technology (OT) environment, where they executed software that caused denial of service, denial of control, and eventually a loss of control. This led to the blast furnace shutting down without proper safety procedures, resulting in catastrophic physical damage. No lives were lost in the incident, but ThyssenKrupp suffered $4 million in damage to the blast furnace and an additional $6 million in lost revenue. The adversaries required specialized knowledge and expertise in steel production, which enabled them to compromise a variety of internal systems and components across both IT and OT networks. The attack also demonstrated detailed knowledge of the industrial control systems (ICS) and production processes being used. This combination resulted in one of the earliest known publicly reported cybersecurity incidents resulting in physical damage to ICS equipment. Researchers and analysts identified 19 unique techniques (used in a sequence of 20 steps) utilized during the attack with a total of 454 observables using MITRE ATT&CK® for Industrial Control Systems. The CyOTE program assesses observables accompanying techniques used prior to the triggering event to identify opportunities to detect malicious activity. If observables accompanying the attack techniques are perceived and investigated prior to the triggering event, earlier comprehension of malicious activity can take place. Fifteen of the identified techniques used during the Thyssenkrupp cyber attack were precursors to the triggering event. Analysis identified 369 observables associated with these precursor techniques, 316 of which were assessed to have an increased likelihood of being perceived in the 120 days preceding the triggering event. The response and comprehension time could have been reduced if the observables had been identified earlier. The information gathered in this report contributes to a library of observables tied to a repository of artifacts, data sources, and technique detection references for practitioners and developers to support the comprehension of indicators of attack. Asset owners and operators can use these products if they experience similar observables or to prepare for comparable scenarios.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2017

Preface to the Special Issue on TOUGH Symposium 2015

The TOUGH Symposium 2015 was held in Berkeley, California, September 28-30, 2015. The TOUGH family of codes, developed at the Energy Geosciences Division of Lawrence Berkeley National Laboratory (LBNL), is a suite of computer programs for the simulation of multiphase and multicomponent fluid and heat flows in porous and fractured media with applications in many geosciences fields, such as geothermal reservoir engineering, nuclear waste disposal, geological carbon sequestration, oil and gas reservoirs, gas hydrate research, vadose zone hydrology and environmental remediation. Since the first release in the 1980s, many modifications and enhancements have been continuously made to TOUGH and its various descendants (iTOUGH2, TOUGH+, TOUGH-MP, TOUGHREACT, TOUGH+HYDRATE, TMVOC...), at LBNL and elsewhere. Today, these codes are used worldwide in academia, government organizations and private companies in problems involving coupled hydrological, thermal, biogeochemical and geomechanical processes. The Symposia, organized every 2-3 years, bring together developers and users for an open exchange on recent code enhancements and applications. In 2015, the Symposium was attended by one hundred participants, representing thirty-four nationalities. This Special Issue in Computers & Geosciences gathers extended versions of selected Symposium proceedings related to (i) recent enhancements to the TOUGH family of codes and (ii) coupled flow and geomechanics processes modeling. In this special issue, a paper by Jung et al. provides a new base version of TOUGH, TOUGH3. This latest version addresses the computational robustness and efficiency needed for the increasing complexity of the simulated processes and the growing size of model domains. Moreover, it consolidates the serial and parallel versions into a single code, hence, inconsistencies between different versions are less likely to occur, and code maintenance and development become more efficient. Finsterle et al. present a review of the capabilities of iTOUGH2 and illustrate the workflow of an integrated simulation-optimization framework. Liu et al. present an approach to reduce the computational cost of performing Bayesian inverse modeling and demonstrate their approach using a synthetic experiment simulated with TOUGH2. Regarding the mesh generation process, the paper by Doughty presents a generalization of the grid-generation algorithm embedded in TOUGH2 (MESHMAKER) to create one-column grids with fractal dimension, useful for representing flow through fractures or highly heterogeneous media with fractal geometry, and also for inverse methods. Sentís and Gable present a module to interface the open source code Lagrit with TOUGH2, that assists in the processes of mesh generation and model setup, and that can be particularly useful for complex geometries and large models. Bonduà et al. present a pre-processing tool (VORO2MESH) that features a full 3D Voronoi approach for structured and unstructured grids, and an enhanced post-processor (TOUGH2Viewer) for the visualization of 3D Voronoi grids. The literature review shows that coupled fluid flow and geomechanics has gained increasing attention in the last years in many geosciences fields. In this context, several codes of the TOUGH family have been successfully coupled with geomechanics software. The paper by Rutqvist presents a review of some of these TOUGH-based geomechanics models, of which the TOUGH-FLAC simulator – presented for the first time in the TOUGH Symposium 2003 – is well-known worldwide and has been used in a large variety of applications, encompassing the application domains of the TOUGH codes. Blanco-Martín et al. present an extension of TOUGH-FLAC to the finite strain framework, motivated by the existence of large strains associated with rock salt deformation in the context of heat-generating nuclear waste disposal. Following a paper published in the Special Issue of the TOUGH Symposium 2012 in this journal, Kim et al. present the current status of the TOUGH-RSBN simulator for coupled hydro-mechanical modeling of hydraulic fracturing using a discrete fracture network approach, and present some validation and demonstration cases. Rinaldi and Nespoli present TOUGH-SEED, an injection-induced seismicity modeling approach using TOUGH2 and a geomechanics stochastic model, and apply it to the Basel EGS project. Finally, Rinaldi et al. use the PEST protocol implemented in iTOUGH2, combined with TOUGH-FLAC as the forward model, to perform inverse modeling for the In Salah CO2 demonstration site in Algeria. Using pore pressures and InSAR displacements as observations, this approach allows for a multi-physics joint inversion and takes advantage of the inverse capabilities of iTOUGH2 (parameter estimation, sensitivity analysis, uncertainty estimation …), applied to coupled fluid flow and geomechanics. On behalf of the members of the TOUGH Symposium 2015 Organizing Committee, I hope that this collection of papers will provide the readers of Computers & Geosciences with a recent view of the capabilities of the TOUGH family of codes, as well as with current modeling research domains in the geosciences. Last but not least, I would like to express my gratitude to all the reviewers who kindly contributed to this Special Issue, as well as the Journal staff who have made this publication possible.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2017

ROBUST ONLINE MONITORING FOR CALIBRATION ASSESSMENT OF TRANSMITTERS AND INSTRUMENTATION

Robust online monitoring (OLM) technologies are expected to enable the extension or elimination of periodic sensor calibration intervals in operating and new reactors. Specifically, the next generation of OLM technology is expected to include newly developed advanced algorithms that improve monitoring of sensor/system performance and enable the use of plant data to derive information that currently cannot be measured. These advances in OLM technologies will improve the safety and reliability of current and planned nuclear power systems through improved accuracy and increased reliability of sensors used to monitor key parameters. In this paper, we discuss an overview of research being performed within the Nuclear Energy Enabling Technologies (NEET)/Advanced Sensors and Instrumentation (ASI) program, for the development of OLM algorithms to use sensor outputs and, in combination with other available information, 1) determine whether one or more sensors are out of calibration or failing and 2) replace a failing sensor with reliable, accurate sensor outputs. Algorithm development is focused on the following OLM functions: • Signal validation – fault detection and selection of acceptance criteria • Virtual sensing – signal value prediction and acceptance criteria • Response-time assessment – fault detection and acceptance criteria selection A GP-based uncertainty quantification (UQ) method previously developed for UQ in OLM, was adapted for use in sensor-fault detection and virtual sensing. For signal validation, the various components to the OLM residual (which is computed using an AAKR model) were explicitly defined and modeled using a GP. Evaluation was conducted using flow loop data from multiple sources. Results using experimental data from laboratory-scale flow loops indicate that the approach, while capable of detecting sensor drift, may be incapable of discriminating between sensor drift and model inadequacy. This may be due to a simplification applied in the initial modeling, where the sensor degradation is assumed to be stationary. In the case of virtual sensors, the GP model was used in a predictive mode to estimate the correct sensor reading for sensors that may have failed. Results have indicated the viability of using this approach for virtual sensing. However, the GP model has proven to be computationally expensive, and so alternative algorithms for virtual sensing are being evaluated. Finally, automated approaches to performing noise analysis for extracting sensor response time were developed. Evaluation of this technique using laboratory-scale data indicates that it compares well with manual techniques previously used for noise analysis. Moreover, the automated and manual approaches for noise analysis also compare well with the current “gold standard”, hydraulic ramp testing, for response time monitoring. Ongoing research in this project is focused on further evaluation of the algorithms, optimization for accuracy and computational efficiency, and integration into a suite of tools for robust OLM that are applicable to monitoring sensor calibration state in nuclear power plants.

calibration interval extension↗
DOE OSTI2016

A feasibility study of dynamic adaptive radiotherapy for nonsmall cell lung cancer

Purpose: The final state of the tumor at the end of a radiotherapy course is dependent on the doses given in each fraction during the treatment course. This study investigates the feasibility of using dynamic adaptive radiotherapy (DART) in treating lung cancers assuming CBCT is available to observe midtreatment tumor states. DART adapts treatment plans using a dynamic programming technique to consider the expected changes of the tumor in the optimization process. Methods: DART is constructed using a stochastic control formalism framework. It minimizes the total expected number of tumor cells at the end of a treatment course, which is equivalent to maximizing tumor control probability, subject to the uncertainty inherent in the tumor response. This formulation allows for nonstationary dose distributions as well as nonstationary fractional doses as needed to achieve a series of optimal plans that are conformal to the tumor over time, i.e., spatiotemporally optimal plans. Sixteen phantom cases with various sizes and locations of tumors and organs-at-risk (OAR) were generated using in-house software. Each case was planned with DART and conventional IMRT prescribing 60 Gy in 30 fractions. The observations of the change in the tumor volume over a treatment course were simulated using a two-level cell population model. Monte Carlo simulations of the treatment course for each case were run to account for uncertainty in the tumor response. The same OAR dose constraints were applied for both methods. The frequency of replanning was varied between 1, 2, 5 (weekly), and 29 times (daily). The final average tumor dose and OAR doses have been compared to quantify the potential dosimetric benefits of DART. Results: The average tumor max, min, mean, and D95 doses using DART relative to these using conventional IMRT were 124.0%–125.2%, 102.1%–114.7%, 113.7%–123.4%, and 102.0%–115.9% (range dependent on the frequency of replanning). The average relative maximum doses for the cord and esophagus, mean doses for the heart and lungs, and D05 for the unspecified tissue resulting 84%–102.4%, 99.8%–106.9%, 66.9%–85.6%, 58.2%–78.8%, and 85.2%–94.0%, respectively. Conclusions: It is feasible to apply DART to the treatment of NSCLC using CBCT to observe the midtreatment tumor state. Potential increases in the tumor dose and reductions in the OAR dose, particularly for parallel OARs with mean or dose–volume constraints, could be achieved using DART compared to nonadaptive IMRT.

60 APPLIED LIFE SCIENCES↗