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Development and Demonstration of Material Properties Database and Software for the Simulation of Flow Properties in Cementitious Materials

This report describes work performed by the Savannah River National Laboratory (SRNL) in fiscal year 2014 to develop a new Cementitious Barriers Project (CBP) software module designated as FLOExcel. FLOExcel incorporates a uniform database to capture material characterization data and a GoldSim model to define flow properties for both intact and fractured cementitious materials and estimate Darcy velocity based on specified hydraulic head gradient and matric tension. The software module includes hydraulic parameters for intact cementitious and granular materials in the database and a standalone GoldSim framework to manipulate the data. The database will be updated with new data as it comes available. The software module will later be integrated into the next release of the CBP Toolbox, Version 3.0. This report documents the development efforts for this software module. The FY14 activities described in this report focused on the following two items that form the FLOExcel package; 1) Development of a uniform database to capture CBP data for cementitious materials. In particular, the inclusion and use of hydraulic properties of the materials are emphasized; and 2) Development of algorithms and a GoldSim User Interface to calculate hydraulic flow properties of degraded and fractured cementitious materials. Hydraulic properties are required in a simulation of flow through cementitious materials such as Saltstone, waste tank fill grout, and concrete barriers. At SRNL these simulations have been performed using the PORFLOW code as part of Performance Assessments for salt waste disposal and waste tank closure.

97 MATHEMATICS AND COMPUTING↗

SAM Code Development for Transient Safety Analyses of Fluoride-salt-cooled High-temperature Reactors

The System Analysis Module (SAM) is under development at Argonne National Laboratory as a modern system-level modeling and simulation tool for advanced non-light water reactor safety analyses. It utilizes the object-oriented application framework MOOSE to leverage the modern software environment and advanced numerical methods. The capabilities of SAM are being extended to enable the transient modeling, analysis, and design of various advanced nuclear reactor systems. The molten-salt-cooled pebble-bed reactor, or pebble-bed FHR (PB-FHR) is a promising candidate among advanced nuclear reactor concepts with its improved passive safety characteristics and high thermal efficiency. To support the development and utilization of the SAM code for PB-FHR safety analysis, activities on SAM code enhancements, reference plant model developments, and code validations have been performed in the past a few years to support near-term industry and NRC needs. This report summarizes recent progress under DOE-NE’s Nuclear Energy Advanced Modeling and Simulation program in SAM code development and demonstration for transient safety analysis of Fluoride-salt-cooled High-temperature Reactors. SAM capabilities has been significantly enhanced over the years to add FHR specific modeling features, including salt freezing and thawing, spherical core channel and pebble bed core modeling, solid-fluid thermal radiation, tritium transport and general species transport in fluids and solids, and the general code enhancements on solver schemes of point kinetics module and reactivity feedback models. A reference PB-FHR model is developed, based on publicly available information from Kairos Power’s generic FHR design and the University of California, Berkeley (UCB) Mk1 design. A reference reactor model is foundational to the methodologies employed by NRC to verify the adequacy of computer codes and evaluation models. The reference FHR model was utilized for a number of selected FHR design basis accidents, including station blackout, loss of heat sink, loss of flow, transient overpower, and overcooling events.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Developing an Operational Testing Ground for Autonomous and Connected Vehicles

This paper provides a framework for developing a connected vehicle “sandbox” environment where connected vehicles equipped with Dedicated Short-Range Communication (DSRC) radios can interface with sensors that operate on a range of software architectures using open-source tools. In control system design, rapid prototyping for connected vehicle applications can be a challenge when the subsystems operate with different communication protocols, at different data rates, and with changing connectivity between subsystems. In this work, we showcase the use of open-source software tools, specifically the Robot Operating System (ROS), to facilitate connecting DSRC radios with embedded systems in both vehicle and infrastructure applications. Here, this integration helps in the rapid field testing of algorithms in an efficient manner in both hardware-in-the-loop applications as well as prototype deployments. Two examples are presented that demonstrate the use of this framework: 1) the use of DSRC systems for emergency responders in crash situations, and 2) using DSRC systems to reduce the fuel consumption of connected commercial trucks.

33 ADVANCED PROPULSION SYSTEMS↗

QUANT-NET Control Plane Framework (QNCP) v1.0.0

The QUANT-NET Control Plane (QNCP) provides a software framework for expressing and managing quantum network resources. It may be used to orchestrate a physical quantum testbed with real device driver implementations, or it may be used as a proving ground when developing new protocols and management functions. In practice, both approaches may be useful when undertaking research and development in emerging quantum testbeds. While a number of control systems have been developed for specific quantum platform demonstrations, an openly available and general solution for operating quantum networks has not emerged. QNCP is designed to fill this gap. The framework has been designed to provide extensible, modular capabilities that include scheduling, routing, monitoring, and pluggable protocols. A number of reference implementations in each module category have been included in the installable packages; however, the intent is that each of these modules may be extended or re-implemented to meet the needs of the particular deployment or research need. The software is currently being used in the QUANT-NET testbed project, which spans resources between LBNL and UC Berkeley Physics.

Zhang, Liang [Lawrence Berkeley National Laborator↗

SciDAC-Center for Plasma Edge Simulation Report

The Common Component Architecture (CCA) effort is the embodiment of a long-range program of research and development into the formulation, roles, and use of component technologies in high-performance scientific computing. CCA components can interoperate with other components in a variety of frameworks, including SCIRun2 from the University of Utah. The SCIRun2 framework is also developing the ability to connect components from a variety of different models through a mechanism called meta-components. The meta component model operates by providing a plugin architecture for component models. Abstract components are manipulated and managed by the SCIRun2 framework, while concrete component models perform the actual work and communicate with each other directly. We will leverage the SCIRun2 framework and the Kepler system to orchestrate components in the Fusion Simulation Project (FSP) and to provide a CCA-based interface with Kepler. The groundwork for this functionality is being performed with the Scientific Data Management center. The SDM center is developing CCA-compliant interfaces for expressing and executing workflows and create workflow components based on SCIRun and Ptolemy (Kepler) execution engines, including development of uniform interfaces for selecting, starting, and monitoring scientific workflows. Accomplishments include Introduction to CCA and Simulation Software Systems, Introduction into SCIRun2 and Bridging within SCIRun2, CCALoop: A scalable design for a distributed component framework, and Combining Workflow methodologies with Component Architectures.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Modeling and simulation of offshore wind farm O&M processes

This paper describes a holistic approach to operation and maintenance (O&M) processes in the domain of offshore wind farm power generation. The acquisition and process visualization is followed by a risk analysis of all relevant processes. Hereafter, a tool was designed, which is able to model the defined processes in a BPMN 2.0 notation, as well as connect and simulate them. Furthermore, the notation was enriched with new elements, representing other relevant factors that were, to date, only displayable with much higher effort. In that regard a variety of more complex situations were integrated, such as for example new process interactions depending on different weather influences, in which case a stochastic weather generator was combined with the business simulation or other wind farm aspects important to the smooth running of the offshore wind farms. In addition, the choices for different methodologies, such as the simulation framework or the business process notation will be presented and elaborated depending on the impact they had on the development of the approach and the software solution. - Highlights: • Analysis of operation and maintenance processes of offshore wind farms • Process modeling with BPMN 2.0 • Domain-specific simulation tool.

54 ENVIRONMENTAL SCIENCES↗

Π4U: A high performance computing framework for Bayesian uncertainty quantification of complex models

We present Π4U,{sup 1} an extensible framework, for non-intrusive Bayesian Uncertainty Quantification and Propagation (UQ+P) of complex and computationally demanding physical models, that can exploit massively parallel computer architectures. The framework incorporates Laplace asymptotic approximations as well as stochastic algorithms, along with distributed numerical differentiation and task-based parallelism for heterogeneous clusters. Sampling is based on the Transitional Markov Chain Monte Carlo (TMCMC) algorithm and its variants. The optimization tasks associated with the asymptotic approximations are treated via the Covariance Matrix Adaptation Evolution Strategy (CMA-ES). A modified subset simulation method is used for posterior reliability measurements of rare events. The framework accommodates scheduling of multiple physical model evaluations based on an adaptive load balancing library and shows excellent scalability. In addition to the software framework, we also provide guidelines as to the applicability and efficiency of Bayesian tools when applied to computationally demanding physical models. Theoretical and computational developments are demonstrated with applications drawn from molecular dynamics, structural dynamics and granular flow.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Accelerating semantic graph databases on commodity clusters

We are developing a full software system for accelerating semantic graph databases on commodity cluster that scales to hundreds of nodes while maintaining constant query throughput. Our framework comprises a SPARQL to C++ compiler, a library of parallel graph methods and a custom multithreaded runtime layer, which provides a Partitioned Global Address Space (PGAS) programming model with fork/join parallelism and automatic load balancing over a commodity clusters. We present preliminary results for the compiler and for the runtime.

commodity clusters↗

NSTX-U Advances in Real-Time C++11 on Linux

Programming languages like C and Ada combined with proprietary embedded operating systems have dominated the real-time application space for decades. The new C++11standard includes native, language-level support for concurrency, a required feature for any nontrivial event-oriented real-time software. Threads, Locks, and Atomics now exist to provide the necessary tools to build the structures that make up the foundation of a complex real-time system. The National Spherical Torus Experiment Upgrade (NSTX-U) at the Princeton Plasma Physics Laboratory (PPPL) is breaking new ground with the language as applied to the needs of fusion devices. A new Digital Coil Protection System (DCPS) will serve as the main protection mechanism for the magnetic coils, and it is written entirely in C++11 running on Concurrent Computer Corporation's real-time operating system, RedHawk Linux. It runs over 600 algorithms in a 5 kHz control loop that determine whether or not to shut down operations before physical damage occurs. To accomplish this, NSTX-U engineers developed software tools that do not currently exist elsewhere, including real-time atomic synchronization, real-time containers, and a real-time logging framework. Together with a recent (and carefully configured) version of the GCC compiler, these tools enable data acquisition, processing, and output using a conventional operating system to meet a hard real-time deadline (that is, missing one periodic is a failure) of 200 microseconds.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Assessment of Industrial Load for Demand Response across U.S. Regions of the Western Interconnect

Demand response has the ability to both increase power grid reliability and potentially reduce operating system costs. Understanding the role of demand response in grid modeling has been difficult due to complex nature of the load characteristics compared to the modeled generation and the variation in load types. This is particularly true of industrial loads, where hundreds of different industries exist with varying availability for demand response. We present a framework considering industrial loads for the development of availability profiles for demand response that can provide more regional understanding and can be inserted into analysis software for further study.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Benchmark Modeling and Simulation of the FFTF LOFWOS Test #13 Using SAM

The Fast Flux Test Facility (FFTF) was a 400 MW thermal powered, oxide-fueled, liquid sodium cooled test reactor, built to assist development and testing of advanced fuels and materials for fast breeder reactors. In July 1986, a series of unprotected Loss of Flow Without Scram (LOFWOS) transients were performed in FFTF as part of the Passive Safety Testing (PST) program. The LOFWOS Test #13, which was initiated at 50% power and 100% flow with the pump pony motors left off, has been chosen as a benchmark case by IAEA to support collaborative efforts within international partnerships on the validation of simulation tools and models in the area of sodium fast reactor passive safety in an IAEA Coordinated Research Project (CRP), launched in October 2018. The System Analysis Module (SAM) is an advanced and modern system analysis tool under development at Argonne National Laboratory for advanced non-LWR safety analysis. It utilizes the object-oriented application framework MOOSE to leverage the modern software environment and advanced numerical methods. The capabilities of SAM are being extended to enable the transient modeling, analysis, and design of various advanced nuclear reactor systems. To participate the IAEA CRP and enhance the SAM validation base for advanced reactor transient safety analysis, benchmark simulations of the FFTF LOFWOS Test #13 are performed using the SAM code. In this first phase of the validation effort, the thermal-hydraulic behavior of the reactor system is the focus and the reactor kinetics is not considered in the SAM FFTF model. Instead, the results of Argonne’s neutronics calculations are directly used, including the power shape of the active core region and the power history during the transient. The simulation results of FFTF at steady state agreed well with the measured data from the test. During the transient, reasonably good agreement were also obtained. Future work to improve the model will focus on introducing the reactivity predictions into the model, as well as better understanding or resolving the current discrepancies with the measured data.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Hybrid Solid Oxide Fuel Cell/Gas Turbine Model Development for Electric Aviation

A thermodynamic model was developed and validated to analyze a high-performance solid oxide fuel cell and gas turbine (SOFC-GT) hybrid power system for electric aviation. This study used a process simulation software package (ProMax) to study the role of SOFC design and operation on the feasibility and performance of the hybrid system. Standard modules, including compressor, turbine, heat exchanger, reforming reactor, and combustor were used from the ProMax tool suite while a custom module was created to simulate the SOFC stack. The model used an SOFC test data set as an input. Additional SOFC stack performance effects, such as pressure, temperature, and utilization of air and fuel, were added from open source data. System performance predictors were SOFC specific power, fuel-to-electricity conversion efficiency, and hybrid system efficiency. Using these input data and predictors, a static thermodynamic performance model was created that can be modified for different system configurations and operating conditions. Prior to creating the final aircraft performance model, initial demonstration models were developed to validate output results. We used the NASA SOFC model as a benchmark, which was created with their Numerical Propulsion System Simulator (NPSS) software framework. Our output results matched within 1% of both the NASA model and open source SOFC performance data. With confidence gained in the accuracy of this model, a 1-MW SOFC-GT hybrid power system was constructed for an aircraft propulsion concept. Overall hybrid system efficiencies of > 75% FTE were observed during standard 36,000 feet cruise flight conditions.

30 DIRECT ENERGY CONVERSION↗

Leveraging the Cloud for Robust and Efficient Lunar Image Processing

The Lunar Mapping and Modeling Project (LMMP) is tasked to aggregate lunar data, from the Apollo era to the latest instruments on the LRO spacecraft, into a central repository accessible by scientists and the general public. A critical function of this task is to provide users with the best solution for browsing the vast amounts of imagery available. The image files LMMP manages range from a few gigabytes to hundreds of gigabytes in size with new data arriving every day. Despite this ever-increasing amount of data, LMMP must make the data readily available in a timely manner for users to view and analyze. This is accomplished by tiling large images into smaller images using Hadoop, a distributed computing software platform implementation of the MapReduce framework, running on a small cluster of machines locally. Additionally, the software is implemented to use Amazon's Elastic Compute Cloud (EC2) facility. We also developed a hybrid solution to serve images to users by leveraging cloud storage using Amazon's Simple Storage Service (S3) for public data while keeping private information on our own data servers. By using Cloud Computing, we improve upon our local solution by reducing the need to manage our own hardware and computing infrastructure, thereby reducing costs. Further, by using a hybrid of local and cloud storage, we are able to provide data to our users more efficiently and securely. 12 This paper examines the use of a distributed approach with Hadoop to tile images, an approach that provides significant improvements in image processing time, from hours to minutes. This paper describes the constraints imposed on the solution and the resulting techniques developed for the hybrid solution of a customized Hadoop infrastructure over local and cloud resources in managing this ever-growing data set. It examines the performance trade-offs of using the more plentiful resources of the cloud, such as those provided by S3, against the bandwidth limitations such use encounters with remote resources. As part of this discussion this paper will outline some of the technologies employed, the reasons for their selection, the resulting performance metrics and the direction the project is headed based upon the demonstrated capabilities thus far.

Cloud Computing↗

FATE Unified Modeling Method for Spent Nuclear Fuel and Sludge Processing, Shipping and Storage - 13405

A unified modeling method applicable to the processing, shipping, and storage of spent nuclear fuel and sludge has been incrementally developed, validated, and applied over a period of about 15 years at the US DOE Hanford site. The software, FATE{sup TM}, provides a consistent framework for a wide dynamic range of common DOE and commercial fuel and waste applications. It has been used during the design phase, for safety and licensing calculations, and offers a graded approach to complex modeling problems encountered at DOE facilities and abroad (e.g., Sellafield). FATE has also been used for commercial power plant evaluations including reactor building fire modeling for fire PRA, evaluation of hydrogen release, transport, and flammability for post-Fukushima vulnerability assessment, and drying of commercial oxide fuel. FATE comprises an integrated set of models for fluid flow, aerosol and contamination release, transport, and deposition, thermal response including chemical reactions, and evaluation of fire and explosion hazards. It is one of few software tools that combine both source term and thermal-hydraulic capability. Practical examples are described below, with consideration of appropriate model complexity and validation. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

artdaq : DAQ software development made simple

For a few years now, the artdaq data acquisition software toolkit has provided numerous experiments with ready-to-use components which allow for rapid development and deployment of DAQ systems. Developed within the Fermilab Scientific Computing Division, artdaq provides data transfer, event building, run control, and event analysis functionality. This latter feature includes built-in support for the art event analysis framework, allowing experiments to run art modules for real-time filtering, compression, disk writing and online monitoring; as art, also developed at Fermilab, is also used for online analysis, a major advantage of artdaq is that it allows developers to easily switch between developing online and online software. artdaq continues to be improved. Support for an alternate mode of running whereby data from some subdetector components are only streamed if requested has been added; this option will reduce unnecessary DAQ throughput. Real-time reporting of DAQ metrics has been implemented, along with the flexibility to choose the format through which experiments receive the reports; these formats include the Ganglia, Graphite and syslog software packages, along with at ASCII files. Additionally, work has been performed investigating more flexible modes of online monitoring, including the capability of being able to run multiple online monitoring processes on different hosts, each running its own set of art modules. Finally, a web-based GUI interface through which users can configure details of their DAQ system has been implemented, increasing the ease of use of the system. Already successfully deployed on the LArIAT, DarkSide-50, DUNE 35ton and Mu2e experiments, artdaq will be employed for SBND and is a strong candidate for use on ICARUS and protoDUNE. With each experiment comes new ideas for how artdaq can be made more flexible and powerful; the above improvements will be described, along with potential ideas for the future.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Simple, Secure, Internet Delivery of MOOSE-based Applications

Application packaging and distribution are the final steps for delivering software to end-users; both are frequently neglected when creating scientific software. Commercial businesses rely on electronic distribution systems that have rendered disk drives obsolete. Still, national laboratories continue to rely heavily on removable media to distribute and limit access to controlled applications. With increasing concerns of unauthorized copying of sensitive applications, a modern distribution system that utilizes cryptographically secure communication and authentication protocols has been developed. This new distribution system will secure the chain of custody for nuclear software while simultaneously simplifying access to these tools. This report summarizes four primary advancements made toward the secure distribution of Nuclear Energy Advanced Modeling and Simulation (NEAMS)-developed, Multiphysics Object Oriented Simulation Environment (MOOSE)-based applications: application installation, package distribution, automated package building, and distribution of documentation. NEAMS is currently developing more than ten separate applications based on the open-source MOOSE Framework. Distribution of these applications has primarily been accomplished by distributing source code, with end-users compiling the applications themselves. This work created a mechanism where MOOSE applications can be installed in a similar way to any other software. This allows both administrators and end-users simplified access to runnable executables. With this new installation capability, it was then possible to rethink distribution. A new, secure capability for delivering MOOSE-based applications over the internet has been created. This system requires unique cryptographic tokens for authentication, greatly securing the custody chain for software. Once granted access, installation of any NEAMS code can be accomplished with these terminal commands: "conda install ncrc" "ncrc install ncrc-bison." After these two commands (and authenticating) the BISON application will be securely down- loaded from Idaho National Laboratory (INL)’s servers, installed, and ready to use. To enable this new distribution capability to be successful, the open-source Continuous Integration, Verification, Enhancement, and Testing (CIVET) Continuous Integration (CI) capability was augmented to add Continuous Delivery (CD). CD enables the automated building and packaging of MOOSE-based applications as they are modified by development teams, ensuring that our customers can obtain up-to-date versions of the software at any time. The need for instruction on how to use these applications was addressed through modifications to the MOOSE documentation system. The MooseDocs capability, which enables robust documentation of MOOSE-based applications, has been extended to allow both for the installation of documentation and the packaging of documentation with installed applications. Together, these enhancements form the core of a new, secure distribution mechanism for nuclear simulation tools. In concert with the Nuclear Computational Resource Center (NCRC), NEAMS- developed applications will now be straightforward to obtain securely.

97 MATHEMATICS AND COMPUTING↗

Initial 1.5D BISON Simulation Verification and Validation CASL FY17 Letter Report

This milestone report describes the current efforts to improve the usability of the recently developed 1.5 dimensional capability in BISON, the initial verification of this BISON capability, and initial validation of the 1.5 dimensional models against existing 2 dimensional axisymmetric full length light water reactor (LWR) fuel rods. The 1.5 dimensional (1.5D) capability in BISON was developed to enable the simulation of LWR fuel rods in a less computationally demanding simulation formulation while retaining key physics of interest. BISON was originally developed to solve 2D axisymmetric and 3D models, and this original development focus allows BISON to examine a wider range of fuel types and geometrically complexity than can be solved with lower dimensional frameworks. As the set of problems which BISON is used to solve expands, the software design requirements continue to evolve. Coupling physics in a higher dimensional geometry is not always required to resolve the physics of interest, such as the modeling of radial heat transfer and radial displacement. BISON, built on the dimension-agnostic MOOSE framework, is able to solve problems in 3D, 2D, and 1D with only minor modifications to the material definition code so that the appropriate geometrical representation can be applied in different problems of interest. The motivation for the development and validation of the BISON 1.5D capability is the CASL program's need for a simplified and computationally efficient version of BISON for use in the large multi-physics VERA simulations which include hundreds of individual fuel rods. The original development of the BISON 1.5D simulation capability is described in the CASL FY17 Letter Report from January 2017, and this report documents the continuing work identified in the previous report. The improvements to the usability of the 1.5D capability through input file simplifications, the results of the verification simulations, the results of the initial validation against the 2D assessment cases in BISON, and the future development needs are included within this report.

1.5D Capability↗

Software Development Technologies for Reactive, Real-Time, and Hybrid Systems

The research is directed towards the design and implementation of a comprehensive deductive environment for the development of high-assurance systems, especially reactive (concurrent, real-time, and hybrid) systems. Reactive systems maintain an ongoing interaction with their environment, and are among the most difficult to design and verify. The project aims to provide engineers with a wide variety of tools within a single, general, formal framework in which the tools will be most effective. The entire development process is considered, including the construction, transformation, validation, verification, debugging, and maintenance of computer systems. The goal is to automate the process as much as possible and reduce the errors that pervade hardware and software development.

Manna, Zohar↗