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Phase II Nevada Water Resources Data, Modeling, and Visualization (DMV) Center (Final Report)

Water is unquestionably a critical resource throughout the United States. In the semi-arid west -- an area stressed by increase in human population and sprawl of the built environment -- water is the most important limiting resource. Crucially, science must understand factors that affect availability and distribution of water. To sustain growing consumptive demand, science needs to translate understanding into reliable and robust predictions of availability under weather conditions that could be average but might be extreme. These predictions are needed to support current and long-term planning. Similar to the role of weather forecast and climate prediction, water prediction over short and long temporal scales can contribute to resource strategy, governmental policy and municipal infrastructure decisions, which are arguably tied to the natural variability and unnatural change to climate. Change in seasonal and annual temperature, precipitation, snowmelt, and runoff affect the distribution of water over large temporal and spatial scales, which impact the risk of flooding and the groundwater recharge. Anthropogenic influences and impacts increase the complexity and urgency of the challenge. The goal of this project has been to develop a decision support framework of data acquisition, digital modeling, and 3D visualization. This integrated framework consists of tools for compiling, discovering and projecting our understanding of processes that control the availability and distribution of water. The framework is intended to support the analysis of the complex interactions between processes that affect water supply, from controlled availability to either scarcity or deluge. The developed framework enables DRI to promote excellence in water resource management, particularly within the Lake Tahoe basin. In principle, this framework could be replicated for other watersheds throughout the United States. Phase II of this project builds upon the research conducted during Phase I, in which the hydrologic framework was investigated and the development initiated. Phase II concentrates on practical implementation of the earlier work but emphasizes applications to the hydrology of the Lake Tahoe basin. Phase 1 efforts have been refined and extended by creating a toolset for geographic information systems (GIS) that is usable for disparate types of geospatial and geo-referenced data. The toolset is intended to serve multiple users for a variety of applications. The web portal for internet access to hydrologic and remotely sensed product data, prototyped in Phase I, has been significantly enhanced. The portal provides high performance access to LANDSAT-derived data using techniques developed during the course of the project. The portal is interactive, and supports the geo-referenced display of hydrologic information derived from remotely sensed data, such as various vegetative indices used to calculate water consumption. The platform can serve both internal and external constituencies using inter-operating infrastructure that spans both sides of the DRI firewall. The platform is intended grow its supported data assets and to serve as a template for replication to other geographic areas. An unanticipated development during the project was the use of ArcGIS software on a new computer system, called the IBM PureSytems, and the parallel use of the systems for faster, more efficient image processing. Additional data, independent of the portal, was collected within the Sagehen basin and provides detailed information regarding the processes that control hydrologic responses within mountain watersheds. The newly collected data include elevation, evapotranspiration, energy balance and remotely sensed snow-pack data. A Lake Tahoe basin hydrologic model has been developed, in part to help predict the hydrologic impacts of climate change. The model couples both the surface and subsurface hydrology, with the two components having been independently calibrated. Results from the coupled simulations involving both surface water and groundwater processes show that it is possible to fairly accurately simulate lake effects and water budget variables over a wide range of dry and wet cycles in the historical record. The Lake Tahoe basin is representative of the hydrology, topography and climate throughout the Sierra Nevada Range, and the entire model development is prototypical of the efforts required to replicate the decision support framework to other locales. The Lake Tahoe model in particular, could allow water managers to evaluate more accurately components of the water budget (ET, runoff, groundwater, etc) and to answer important questions regarding water resources in northern Nevada. This report discusses the geographic scale and the hydrologic complexity of the calibrated model developed as part of this project, as well as simulation results for historical and future climate projects To enable human-driven data exploration and discovery, de novo software for a globalized rendering module that extends the capability of our evolving custom visualization engine from Phase I (called SMEngine) has been developed. The new rendering component, called Horizon, supports terrain rendering capable of displaying and interrogating both remotely sensed and modeled data. The development of Horizon necessitated adaptation of the visualization engine to allow extensible integration of components such as the global rendering module and support for associated features. The resulting software is general in its GIS capability, but a specific Lake Tahoe visualization application suitable for immersive decision support in the DRIVE6 virtual reality facility has been developed. During the development, various features to enhance the value of the visualization experience were explored, including the use of hyperspectral image overlays. An over-arching goal of the visualization aspect of the project has been to develop and demonstrate the CAVE (CAVE Automatic Virtual Environment) as a practical tool for hydrologic research.

54 ENVIRONMENTAL SCIENCES↗

Timing is everything :

People save for retirement throughout their career because it is virtually impossible to save all you ll need in retirement the year before you retire. Similarly, without installing incremental amounts of clean fossil, renewable or transformative energy technologies throughout the coming decades, a radical and immediate change will be near impossible the year before a policy goal is set to be in place. Therefore, our research question is, To meet our desired technical and policy goals, what are the factors that affect the rate we must install technology to achieve these goals in the coming decades? Existing models do not include full regulatory constraints due to their often complex, and inflexible approaches to solve for optimal engineering instead of robust and multidisciplinary solutions. This project outlines the theory and then develops an applied software tool to model the laboratory-to-market transition using the traditional technology readiness level (TRL) framework, but develops subsequent and a novel regulatory readiness level (RRL) and market readiness level (MRL). This tool uses the ideally-suited system dynamics framework to incorporate feedbacks and time delays. Future energy-economic-environment models, regardless of their programming platform, may adapt this software model component framework or module to further vet the likelihood of new or innovative technology moving through the laboratory, regulatory and market space. The prototype analytical framework and tool, called the Technology, Regulatory and Market Readiness Level simulation model (TRMsim) illustrates the interaction between technology research, application, policy and market dynamics as they relate to a new or innovative technology moving from the theoretical stage to full market deployment. The initial results that illustrate the model s capabilities indicate for a hypothetical technology, that increasing the key driver behind each of the TRL, RRL and MRL components individually decreases the time required for the technology to progress through each component by 63, 68 and 64%, respectively. Therefore, under the current working assumptions, to decrease the time it may take for a technology to move from the conceptual stage to full scale market adoption one might consider expending additional effort to secure regulatory approval and reducing the uncertainty of the technology s demand in the marketplace.

Kobos, Peter Holmes↗

SHMTools: Structural Health Monitoring Software for Aerospace, Civil, and Mechanical Infrastructure

Structural Health Monitoring (SHM) involves a multitude of processes designed to detect damage in situ on various types of structures, from aircraft and buildings to bridges and mechanical infrastructure. In an early example of SHM, railroad wheeltappers used a hammer to strike train wheels to determine if there was damage present. At Los Alamos, scientists have developed SHMTools, a software suite that provides more than 100 advanced algorithms that quickly prototype and evaluate damage-detection processes. The software consists of modular MATLAB routines covering the three main stages of SHM: data acquisition, feature extraction, and feature classification. Multiple sensing modalities are supported, including acceleration, strain, and guided-wave data, all of which have been widely used in SHM practice.

42 ENGINEERING↗

Response of a Pressurized Water Reactor Dashpot Region to Commercial Drying Cycles

The purpose of this report is to document updates to the simulation of commercial vacuum drying procedures at the Nuclear Energy Work Complex at Sandia National Laboratories. Validation of the extent of water removal in a dry spent nuclear fuel storage system based on drying procedures used at nuclear power plants is needed to close existing technical gaps. Operational conditions leading to incomplete drying may have potential impacts on the fuel, cladding, and other components in the system. A general lack of data suitable for model validation of commercial nuclear canister drying processes necessitates additional, well-designed investigations of drying process efficacy and water retention. Scaled tests that incorporate relevant physics and well-controlled boundary conditions are essential to provide insight and guidance to the simulation of prototypic systems undergoing drying processes. This report documents testing updates for the Dashpot Drying Apparatus (DDA), an apparatus constructed at a reduced scale with multiple Pressurized Water Reactor (PWR) fuel rod surrogates and a single guide tube dashpot. This apparatus is fashioned from a truncated 5×5 section of a prototypic 17×17 PWR fuel skeleton and includes the lowest segment of a single guide tube, often referred to as the dashpot region. The guide tube in this assembly is open and allows for insertion of a poison rod (neutron absorber) surrogate.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Automated Control for Nuclear Thermal Propulsion Start-Up using MOOSE-based Applications

This report presents a Griffin/Bison/RELAP-7 numerical model of a prototypical NTP system that features fuel assemblies arranged in rings, and which was designed to simulate rapid startup transients. The physics modeled include full-core neutronics, assembly-wise heat conduction, and conjugate heat transfer, with the balance of plant mainly imposed through boundary conditions. In addition, various forms of automated reactivity control were deployed by using the MOOSE to autonomously drive the model and simulate the reactor transitioning from assumed initial conditions to nominal power in a fraction of a minute. To generate the cross-sections of the neutronics model, and in an effort to simultaneously account for the tremendous axial temperature gradients in the reactor and to limit the number of state points required for cross-section generation, the average component temperatures and hydrogen densities in the cooling channels were correlated to the average fuel and moderator temperatures, and fixed axial profiles were derived for nominal conditions and then used during the transient. With this approximation, a tractable cross-section library tabulated with fuel/moderator temperatures and CD angles was generated using Serpent. The full-core SPH correction procedure and the CD decusping technology in Griffin, respectively, ensure preservation of the multiplication factor and reaction rates at state points, along with a reasonably accurate reactivity worth between tabulated CD angles, despite using a coarse mesh. Feedback from other physics was calculated by modeling one representative fuel assembly per ring, along with the corresponding fuel and moderator cooling channels. To limit power overshoots during startup, another layer of multiphysics coupling was added to the model in order to automatically control the drums. Two different technologies presented herein showed outstanding performance in this regard: (1) a novel hybrid PID controller based on both power and reactivity signals, and (2) a PGC that relies on kinetics parameters and reactivity coefficients to predict future behavior and adjust the desired signal accordingly. A challenging benchmark was devised, featuring a power demand curve that exponentially increases by a factor of 500 within 30 seconds, then levels out after that. Both control approaches create a simulated power curve that closely follows the power demand curve and limits power overshoots to 1% or less. While the former approach requires more tuning of the internal parameters, the latter requires additional knowledge of the reactivity feedback coefficients and rates of change of the corresponding variables, including fuel and moderator temperature, which could be difficult to dynamically measure for a real NTP system. Fortunately, some inaccuracy in these quantities will not drastically degrade the PGC performance. Subsequently, a more realistic startup sequence was considered, in which the mass flow rate and outlet pressures are ramped up to model bootstrap and thrust build-up phases prior to reaching steady-state conditions, demonstrating the ability of the hybrid PID and PGCs to handle such transients, with both types of controllers exhibiting very similar behavior. Nevertheless, a significant chamber temperature overshoot was observed, caused by the demanded power signal and assumed mass flow rate. This issue could be mitigated by deploying a reactor controller that follows the chamber temperature signal and actuates both the control valves and drums (rather than using a power signal based solely on the drums to control reactivity). Enhancement of the hydrogen fluid properties available in MOOSE, as well as a better understanding of prototypical initial conditions, are also needed to further enhance this startup model. Finally, a study was performed to model decay heat post-shutdown, and to prepare for extending this model to predict shutdown behavior and post-shutdown pulsed cooling requirements.

33 ADVANCED PROPULSION SYSTEMS↗

Coal-based Bricks & Blocks (CBBs): Process Development to Prototype Fabrication Coupled with Techno-Economic Analysis and Market Survey

Coal-based bricks and blocks (CBBs) were formulated using anthracite and thermoplastic binder. Lab scale test composites were formed by hot-press molding and commercial extrusion for test articles and for a full-scale prototype. Formulations and test matrices followed a systematic experimental design to examine the effects of and interactions among three primary independent variables: a) thermoplastic type, b) weight fractions of binder relative to the total anthracite weight, and c) relative proportions of large versus small (milled) anthracite size fractions. Technical performance metrics include compressive strength, modulus, porosity/permeability and density. These DoE studies establish composition-property relations and identify the best combination for any desired property of interest – in particular, strength. Based on CBB composition and fabrication process, validated against technical performance metrics, a techno-economic analysis was constructed which incorporated a process flow model, engineering design (with scaling), and calculated capital plus operating costs. Based on measured property metrics and estimated process economics and a projected price by TEA (techno-economic analysis), building and construction target markets were identified by a market survey assessment. With known cost, price, performance metrics and competitive advantages for CBBs matched with commercial applications/uses, a technical gap analysis was performed to identify further development required for scale-up and commercialization.

01 COAL, LIGNITE, AND PEAT↗

Novel 3D Force Sensors for a Cost-Effective 3D Force Plate for Biomechanical Analysis

Three-dimensional force plates are important tools for biomechanics discovery and sports performance practice. However, currently, available 3D force plates lack portability and are often cost-prohibitive. To address this, a recently discovered 3D force sensor technology was used in the fabrication of a prototype force plate. Thirteen participants performed bodyweight and weighted lunges and squats on the prototype force plate and a standard 3D force plate positioned in series to compare forces measured by both force plates and validate the technology. For the lunges, there was excellent agreement between the experimental force plate and the standard force plate in the X-, Y-, and Z-axes (r = 0.950–0.999, p < 0.001). For the squats, there was excellent agreement between the force plates in the Z-axis (r = 0.996, p < 0.001). Across axes and movements, root mean square error (RMSE) ranged from 1.17% to 5.36% between force plates. Although the current prototype force plate is limited in sampling rate, the low RMSEs and extremely high agreement in peak forces provide confidence the novel force sensors have utility in constructing cost-effective and versatile use-case 3D force plates.

42 ENGINEERING↗

Impact of viscous fingering and permeability heterogeneity on fluid mixing in porous media

Fluid mixing plays a fundamental role in many natural and engineered processes, including groundwater flows in porous media, enhanced oil recovery, and microfluidic lab-on-a-chip systems. Recent developments have explored the effect of viscosity contrast on mixing, suggesting that the unstable displacement of fluids with different viscosities, or viscous fingering, provides a powerful mechanism to increase fluid-fluid interfacial area and enhance mixing. However, existing studies have not incorporated the effect of medium heterogeneity on the mixing rate. Here, we characterize the evolution of mixing between two fluids of different viscosity in heterogeneous porous media. We focus on a practical scenario of divergent-convergent flow in a quarter five spot geometry prototypical of well-driven groundwater flows. We study by means of numerical simulations the impact of permeability heterogeneity and viscosity contrast on the breakthrough curves and mixing efficiency, and we rationalize the nontrivial mixing behavior that emerges from the competition between the creation of fluid-fluid interfacial area and channeling.

58 GEOSCIENCES↗

Lessons learned from the design and operation of a small-scale cross-flow tidal turbine

In 2023, a first-generation prototype of a small-scale marine current turbine was operated in Sequim Bay, Washington (USA) for 141 days. The system, referred to as the Turbine Lander, was the product of a laboratory-to-field effort to develop a system that enables enhanced ocean sensing or vehicle recharge in remote, energetic settings. The turbine consists of a vertical-axis, cantilevered rotor (1.19 m x 0.85 m) with four foils installed on a gravity foundation. A broader range of constraints including the deployment strategy, site characteristics, and estimated loads, drove the system’s design. This work presents the design, characterization, operation, and post-recovery engineering assessment of the Turbine Lander. Pre-deployment characterization efforts yielded a peak power coefficient of approximately 0.3 for the rotor, although system losses resulted in much lower water-to-wire efficiencies under most operating conditions. The results demonstrate the importance of co-design among key components of the powertrain and control systems to achieve acceptable system efficiency across operating conditions.

Co-design↗

A volatile fluid assisted thermo-pneumatic liquid metal energy harvester

A close-cycle self-driving thermal energy harvester using liquid metal as energy carrier fluid has been proposed. The driving force that pushes the liquid metal against flow resistance and gravity is provided by a resistively heated volatile fluid based on thermo-pneumatic principle. The tested harvester prototype demonstrated its capability to extract thermal energy between small temperature gradient, at a scale of 10 °C. During a 5-h operation, it further demonstrated robust liquid metal recirculating performance at a time-average volume flow rate of 14 ml/min with a 12.25 W heating load. The prototype also managed to self-adjust to variable working conditions which indicated the reliability of this method. Advantages of this method include simple-structural design, rigid-motion free operation, and low-temperature actuation. These advantages make it uniquely suited for solar energy and low-grade heat harvesting, high heat flux electronics cooling, as well as autonomous machines actuating.

42 ENGINEERING↗

High Quantum Efficiency Uni-Traveling-Carrier Photodiode for Optical to Microwave Transduction

Modern Quantum Information Systems (QIS) employ optical photons for long distance communication, operating at ambient temperature, between microwave cavities, which house microwave photons used in quantum computing and microwave detection. These optical photons, carried by fiber-optic or free-space links, offer a low-cost, uncooled alternative to bulky, expensive microwave coaxial cables, which are lossy, susceptible to EMI, and a significant thermal conductor to the outside ambient environment. To convert between these two types of photons and implement these optical interconnects, it is necessary to develop a high-performance photodetector for optical to microwave transduction. Freedom Photonics and the University of Virginia have a well-established partnership in developing high-performance photodiodes. In this Phase I effort, we collaborated in designing, fabricating, and testing an advanced, high-speed, high quantum efficiency prototype photodiode for transduction from optical to microwave frequencies. These devices have applications not only in quantum computing and axion detection, but also in other optical-cryogenic interconnect applications, in fields such as radio astronomy and quantum cryptography, as well as in quantum metrology and plasmonics. During this Phase I DOE program, we designed, fabricated, and tested prototype PIN GaAs photodiodes which targeted the performance parameters defined by the program. This process involved identifying a new target wavelength, different from that proposed initially, based on conversations with the Oak Ridge National Lab customer. We designed an epitaxial stack, optimized in theory for ≥95% quantum efficiency at 795 nm, ≥5 GHz, per the target objectives of the program. Additionally, we designed a fabrication process and associated mask plates for top-illuminated, AR-coated devices with device diameters ranging from 50 µm to 800 µm. Using these, we fabricated two 3” wafer quarters of devices, and characterized the devices’ dark current, quantum efficiency, and bandwidth for various device diameters. The prototype devices achieved a quantum efficiency of 89% at the target 795 nm detection wavelength. The bandwidth of the devices proved tricky to characterize, but a 50 µm diameter device shows a 3-dB bandwidth of at least 1.6 GHz, possibly a full 5 GHz, depending on the measurement setup. In the future, we plan to characterize the bandwidth of these devices using an impulse response measurement. All tasks for the Phase I were successfully completed, and sample prototype devices were provided to Oak Ridge National Lab Quantum Information Science researchers. The work performed in Phase I has established a strong foundation for future design and fabrication cycles in Phase II, if granted. The early tests at Oak Ridge National Labs will provide guidance for the required photodiode performance in devices to be supplied in Phase II.

42 ENGINEERING↗

Involute Working Group – Validation of CFD Turbulence Models for Steady-State Safety Analysis

There are three research reactors in the world having fuel plates curved as circle-involute (a spiral generated around a circle): The Oak Ridge National Laboratory (ORNL) High Flux Isotope Reactor (HFIR) located in Tennessee, U.S.A. [ORNL, 2018]; The Laue-Langevin Institute (ILL) High Flux Reactor (RHF) located in Grenoble, France [ILL, 2018]; and, The Technical University of Munich (TUM) Research Neutron Source Heinz Maier-Leibnitz (FRM II) located in Garching, Germany [TUM, 2018]. All three reactors are currently using Highly Enriched Uranium (HEU, 235U/U ≥ 20 wt. %) as fuel and all three are actively engaged in activities to convert to Low Enriched Uranium (LEU, 235U/U < 20 wt. %) fuel. More information on these reactors can be found in Section two. For various reasons, these reactors have expressed interest in using Computational Fluid Dynamics (CFD) tools to perform their Steady-State Thermal-Hydraulic (SSTH) safety calculations. Using CFD tools for SSTH analysis represents generally a significant departure from traditional methods and requires thorough verification and validation (V&V) to be accepted by regulators. This is why Argonne National Laboratory (ANL) and the involute reactors formed an informal group to help each other in this endeavor. This so-called Involute Working Group (IWG) aims at supporting the qualification of CFD tools for SSTH safety calculations. Activities include benchmarking, code-to-code comparison, Verification and Validation (V&V) as well as technical support. More information on the IWG and the reasons why involute-plate reactors are interested in CFD can be found in Section three. The present study aims at testing three turbulence models commonly implemented in commercial software (namely K-Epsilon, K-Omega and Reynolds-Stress) and assessing their relevance for involute-plate reactor application. An experiment performed by Gambill and Bundy in 1961 was performed to measure heat transfer coefficients in conditions prototypic of the HFIR reactor [Gambill, 1961]. More details on this experiment are provided in Section four. Based on the information available, CFD models of this experiment have been created and the experimental results have been compared to the ones obtained with these CFD models. CFD models and the results of this comparison are provided in Section five.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Embedded Sensor Development in Metallic Structures for the Transformational Challenge Reactor

The ability to make minimally intrusive measurements of process conditions has tremendous potential for improving system performance and control in applications such as nuclear power generation. Towards this end, emerging and evolving advanced manufacturing methods, such as additive manufacturing, present new opportunities for more seamlessly integrating sensing with structure. This technical report summarizes the progress of work performed to assess the feasibility of embedding commercial off-the-shelf (COTS) sensors in a metallic reactor core using advanced manufacturing methods. The progress of four research and development tasks are documented: 1) A survey of COTS sensors for nuclear applications that are candidates for embedded fabrication, 2) Development of a conceptual framework for investigating the feasibility of sensor embedment, 3) Definition of structural geometries and other characteristics that will represent compelling proof-of-concept, and 4) Preliminary prototyping of embedded sensors. For the purposes of this initial study, nuclear grade K-type thermocouples were selected for investigation of embedment methodologies. This sensor was selected as an initial candidate because it represents one of the simplest sensor configurations that can provide useful process information. A selective laser melting (SLM) additive manufacturing process was used to fabricate structures with complexity representative of the core design of the transformational challenge reactor (TCR) and methods were developed to embed a thermocouple with a complex two-dimensional routing path. There are many challenges associated with embedding sensors during the additive manufacturing process including securing the sensor in the structure, relocating the part in the additive machine if using a “pick and place” sensor placement method, mitigating the potential for powder contamination, optimizing energy deposition parameters to build as closely as possible around the sensor path and improve structural integrity of the part, and tuning energy deposition to mitigate thermally induced warpage of the sensor and part as well as potential for damaging the sensing device. Preliminary results indicate that it is feasible to integrate the sensor while minimally compromising the structural integrity of the part and preserving sensor performance. This first phase of this work focused on developing a workflow for embedding sensors and controlling energy deposition during the additive manufacturing process to better understand the build characteristics around the sensor. Future work will perform more in-depth characterization of prototype parts using X-ray computed tomography and scanning electron microscopy to better understand fabricated structures, performance testing of embedded sensors in high temperature environments, adding new embedded measurement modalities, embedding devices with dissimilar materials in contact with additive powders, and the development of methods for embedding sensors with three-dimensional routing paths.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A Comparative Study of Direct and Indirect Additive Manufacturing Approaches for the Production of a Wind Energy Component

Additive manufacturing (AM) was developed in the 1980s to create three-dimensional prototypes through layer-wise approaches to fabrication. Since then, these approaches have seen improvements in both materials and processing technologies. To date, there are now 7 types of additive manufacturing processes and hundreds of materials, which can be directly printed – going directly from digital design to fabricated components. In this project, Oak Ridge National Laboratory (ORNL), Vestas Wind Systems, and The National Renewable Energy Laboratory (NREL) collaborated to evaluate the effectiveness of state-of-the-art large-scale AM processes in the production of a structural component for use in a wind turbine nacelle, through both direct and indirect manufacturing approaches. Here, experienced AM design engineers detail techniques for AM design, including topology optimization (TO), support minimization, reverse engineering, and techniques for mitigating poor interlaminar performance. Fabrication of the components is presented, including printing parameters and postprocessing, and followed with full-scale component testing by a 3rd party testing laboratory. To evaluate the potential of the developed approaches, a complete techno-economic analysis is provided which evaluates the cost of these techniques given current and near to long-term projections of AM system capabilities.

17 WIND ENERGY↗

Prototyping and Manufacturing of Magnetic Gearbox Components using Innovations in Castings

In a previous collaboration with Emrgy (CRADA agreement NFE-17-06532), a housing component of Emrgy’s 10 kW gearbox was casted out of aluminum alloys using impression molds prepared using 3D printed techniques. (Henderson, 2018). After comparison with Emrgy’s existing hardware and material testing, the 3D printed impression molds were verified to represent a valid approach to advance technology readiness and commercialize Emrgy’s technology.

13 HYDRO ENERGY↗

SBIR PHASE I FINAL REPORT: Adoption of High Performance Computational (HPC) Modeling Software for Widespread Use in the Manufacture of Welded Structures

Many US manufacturing companies have moved fabrication and production facilities off shore because of cheaper labor costs. A key aspect in bringing these jobs back to the US is the use of technology to render US-made fabrications more efficient overall with higher quality. A new initiative of the current administration has the goal of enhancing competitiveness to retain manufacturing jobs in the US. One significant competitive advantage that has emerged in the US over the last two decades is the use of virtual design for fabrication of large structures in the light and heavy materials industries. Industries that have used virtual design and analysis tools have reduced material parts size, developed environmentally-friendly fabrication processes, improved product quality and performance, and reduced manufacturing costs. Indeed, Caterpillar Inc. (CAT), one of the partners in this effort, continues to have a large fabrication presence in the US because of the use of weld fabrication modeling to optimize fabrications by controlling weld residual stresses and distortions and improving fatigue, corrosion, and fracture performance. This report describes Engineering Mechanics Corporation of Columbus (Emc2's) DOE SBIR Phase I results which extended an existing, state-of-the-art software code, VFT, currently used to design and model large welded structures prior to fabrication - to a broader range of products with widespread applications for small and medium-sized enterprises (SMEs). VFT helps control distortion, can minimize and/or control residual stresses, control welding microstructure, and pre-determine welding parameters such as weld-sequencing, pre-bending, thermal-tensioning, etc. VFT uses material properties, consumable properties, etc. as inputs. Through VFT, manufacturing companies can avoid costly design changes after fabrication. This leads to the concept of joint design/fabrication where these important disciplines are intimately linked to minimize fabrication costs. VFT currently is tied to a commercial solver which makes it prohibitively expensive for use by SMEs, as there is a significant licensing cost for the solver - over and above for the relatively minimal cost for VFT. Emc2 developed this software code over a number of years in close cooperation with CAT (Peoria, IL), who currently uses this code exclusively for worldwide fabrication, product design and development activities. The use of VFT has allowed CAT to move directly from design to product fabrication and helped eliminate (to a large extent) new product prototyping and subsequent testing. Additionally, CAT has been able to eliminate/reduce costly one-of-a-kind appliances used to reduce distortion effects due to fabrication. In this context, SMEs can realize the same kind of improved product quality and reduced cost through adoption of the adapted version of VFT for design and subsequent manufacture of new products. Emc2's DOE SBIR Phase I effort successfully adapted VFT so that SMEs have access to this sophisticated and proven methodology that is quick, accurate and cost effective and available on-demand to address weld-simulation and fabrication problems prior to manufacture. The open source code, WARP3D, a high performance finite element code mainly used in fracture and damage assessment of structures, was modified so that computational weld problems can be solved efficiently on multiple processors and threads with VFT. The thermal solver for VFT, based on a series of closed form solution approximations, was enhanced for solution on multiple processors greatly increasing overall speed. In addition, the graphical user interface (GUI) has been tailored to integrate these solutions with WARP3D. The GUI is used to define all the weld pass descriptions, number of passes, material properties, consumable properties, weld speed, etc. for the structure to be modeled. The GUI was improved to make it user-friendly for engineers that are not experts in finite element modeling. Finally, a plan for porting VFT onto the Ohio Supercomputer Center (OSC) through its hosted Manufacturing and Polymer Portal has been developed. This access route will permit SMEs to perform weld modeling to improve their competitiveness at a reasonable cost. All of these improvements are detailed in this repo

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Designing and prototyping extensions to the Message Passing Interface in MPICH

As HPC system architectures and the applications running on them continue to evolve, the MPI standard itself must evolve. The trend in current and future HPC systems toward powerful nodes with multiple CPU cores and multiple GPU accelerators makes efficient support for hybrid programming critical for applications to achieve high performance. However, the support for hybrid programming in the MPI standard has not kept up with recent trends. The MPICH implementation of MPI provides a platform for implementing and experimenting with new proposals and extensions to fill this gap and to gain valuable experience and feedback before the MPI Forum can consider them for standardization. Here, in this work, we detail six extensions implemented in MPICH to increase MPI interoperability with other runtimes, with a specific focus on heterogeneous architectures. First, the extension to MPI generalized requests lets applications integrate asynchronous tasks into MPI’s progress engine. Second, the iovec extension to datatypes lets applications use MPI datatypes as a general-purpose data layout API beyond just MPI communications. Third, a new MPI object, MPIX_Stream, can be used by applications to identify execution contexts beyond MPI processes, including threads and GPU streams. MPIX stream communicators can be created to make existing MPI functions thread-aware and GPU-aware, thus providing applications with explicit ways to achieve higher performance. Fourth, MPIX Streams are extended to support the enqueue semantics for offloading MPI communications onto a GPU stream context. Fifth, thread communicators allow MPI communicators to be constructed with individual threads, thus providing a new level of interoperability between MPI and on-node runtimes such as OpenMP. Lastly, we present an extension to invoke MPI progress, which lets users spawn progress threads with fine-grained control to adapt the communication performance to their application designs. We describe the design and implementation of these extensions, provide usage examples, and highlight their expected benefits with performance results.

97 MATHEMATICS AND COMPUTING↗

An effective numerical algorithm for intra-granular fission gas release during non-equilibrium trapping and resolution

Both fission gas release and gaseous swelling in nuclear fuel are driven by the transport of fission gas from within the fuel grains to grain boundaries (intra-granular fission gas release). The process involves gas atom diffusion in conjunction with trapping in and resolution from intra-granular bubbles, and is described mathematically by a system of two partial differential equations (PDE). Following Speight, under the assumption of equilibrium between trapping and resolution (quasi-stationary approximation) the system can be reduced to a single diffusion equation with an effective diffusion coefficient. Numerical solutions used in engineering fuel performance calculations invariably rely on this simplification. First, we investigate the validity of the quasi-stationary approximation compared to the solution of the general system of PDEs. Results demonstrate that the approximation is valid under most conditions of practical interest, but is inadequate to model intra-granular fission gas release during rapid transients to relatively high temperatures such as postulated reactivity initiated accidents (RIA). Then, we develop a novel numerical algorithm for the solution of the general problem in time-varying conditions. We verify the PolyPole-2 algorithm against a reference finite difference solution for a large number of randomly generated operation histories including prototypical RIA transients. Results demonstrate that PolyPole-2 captures the solution of the general PDE system with a high accuracy and a low computational cost. As a result, the PolyPole-2 algorithm overcomes the quasi-stationary approximation and the concept of an effective diffusion coefficient for the solution of the intra-granular fission gas release problem in nuclear fuel analysis.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗