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AGGREGATE: dAta-driven modelinG preservinG contRollable dEr for outaGe mAnagemenT and rEsiliency (Report for Task 13: Functional Specification Report(Deliverable D9))

This report provides functional specification for the AGGREGATE project and associated modules/ tools being developed for outage management and restoration with the Distributed Energy Resources (DERs). This report also provide initial validation of the developed modules and performance metrics. The AGGREGATE team at this stage has been collaborating with General Electric (GE) and Seattle City Light (SCL) to move forward from offline validation to online validation using commercial advanced distribution management system (ADMS). Hence, the functional specifications documents, which outline the requirement of various modules, is provided to address the integration of the modules, including 1) real-time model update and aggregation tools module, 2) observability and controllability metric module, 3) fault location solution service restoration module, 4) transmission-distribution co-simulation module, and 5) advanced distribution management system module. integration of different AGGREGATE modules and functional specification provides the foundation for online multi-scenario testing using SCL system model.

42 ENGINEERING↗

Understanding Dynamics and Thermodynamics of ENSO and Its Complexity Simulated by E3SM and Other Climate Models

Despite the seeming success of most state-of-the-art climate models in simulating the El Niño-Southern Oscillation (ENSO), there is strong evidence that models achieve realistic levels of ENSO activity do so often for wrong reasons. This is owing to an often occurred near cancelation of large errors in terms of contributions to ENSO growth rate from coupled dynamic and thermodynamic feedback processes. Climate models remain deficient in simulating the observed ENSO’s spatial and temporal complexity that involves interplays of coupled dynamic and thermodynamic feedbacks, interactions across multiple scales, nonlinear processes in the tropical atmosphere and ocean system, biases in mean sate and physical processes, and influences external to equatorial Pacific coupled ENSO dynamics. Our proposed research aims at advancing predictive and process-level understandings of ENSO simulated in E3SM and other climate models under current and future climate conditions with two main objectives: (i) better understanding the aforementioned broad range interactive processes and sources that control fundamental properties of ENSO in E3SM and CIMP6 outputs as well as in observational (reanalysis) data sets, using a hierarchical of coupled dynamical frameworks consisting of theoretical analysis, intermediate complexity modeling, and coupled dynamic diagnostics; (ii) to use this understanding to explore pathways towards improving E3SM’s capability of simulating ENSO and its complexity. More specifically, we will focus on four main thrusts of research: (1) ENSO’s dynamic and thermodynamic feedbacks; (2) the across-scale interactions of ENSO with annual cycle and MJO/WWB/TIW (Madden Julian Oscillation/Westerly Wind Burst/Tropical Instability Wave) activity; (3) key nonlinear processes of ENSO involving atmospheric convective thresholds, nonlinear ocean dynamic heating, and thermocline outcropping; and (4) the impacts of climate mean-state biases/changes and perturbed physical processes on simulated ENSO and its complexity.

54 ENVIRONMENTAL SCIENCES↗

Modeling and simulation functional needs for molten salt reactor licensing

The modeling and simulation functional needs to license and design molten salt reactor concepts were assessed and an evaluation methodology was developed using a licensing-focused approach considering the modeling and simulation components that contribute to a molten salt reactor safety analysis report. These functional needs were prioritized by identifying the relationships between functional needs and using a quantitative weighting method to identify the most critical components to build a licensing case. This novel weighting method provided a list of functional needs prioritized relative to key advanced reactor licensing outcomes. In addition, functional need inputs were ranked to reveal those that feed the most modeling and simulation components. The findings from this prioritization effort were used to inform the modeling and simulation goals of the US Department of Energy Office of Nuclear Energy (DOE-NE) Molten Salt Reactor campaign.Modeling and simulation needs were grouped into three main categories: (1) source term definition, material accountancy, and radiological consequences, (2) safety analysis, and (3) steady-state neutronics and thermal hydraulics. Here, five near-term goals were identified among these focus areas that add value: (1) deploying a systems and safeguards analysis computational tool, (2) defining source terms for molten salt reactor analysis and interfacing with the US Nuclear Regulatory Commission on accident progression analysis, (3) developing point designs for liquid-fueled thermal-spectrum and fast-spectrum molten salt reactors, (4) building safety analysis specifications and reference solutions for Molten Salt Reactor Experiment transients, and (5) interfacing with the thermophysical and thermodynamic salt chemistry databases.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Using Simulation to Analyze Acoustic Environments

One of the main projects that was worked on this semester was creating an acoustic model for the Advanced Space Suit in Comsol Multiphysics. The geometry tools built into the software were used to create an accurate model of the helmet and upper torso of the suit. After running the simulation, plots of the sound pressure level within the suit were produced, as seen below in Figure 1. These plots show significant nulls which should be avoided when placing microphones inside the suit. In the future, this model can be easily adapted to changes in the suit design to determine optimal microphone placements and other acoustic properties. Another major project was creating an acoustic diverter that will potentially be used to route audio into the Space Station's Node 1. The concept of the project was to create geometry to divert sound from a neighboring module, the US Lab, into Node 1. By doing this, no new audio equipment would need to be installed in Node 1. After creating an initial design for the diverter, analysis was performed in Comsol in order to determine how changes in geometry would affect acoustic performance, as shown in Figure 2. These results were used to produce a physical prototype diverter on a 3D printer. With the physical prototype, testing was conducted in an anechoic chamber to determine the true effectiveness of the design, as seen in Figure 3. The results from this testing have been compared to the Comsol simulation results to analyze how closely the Comsol results are to real-world performance. While the Comsol results do not seem to closely resemble the real world performance, this testing has provided valuable insight into how much trust can be placed in the results of Comsol simulations. A final project that was worked on during this tour was the Audio Interface Unit (AIU) design for the Orion program. The AIU is a small device that will be used for as an audio communication device both during launch and on-orbit. The unit will have functions including push-to-talk buttons and volume control. With this project, an existing design was modified based on prior feedback that had been received. With the modified design, I created a 3D printed prototype, shown in Figure 4, which was then used in suited evaluations performed by crew members. The feedback received from those evaluations will be utilized to help create the best possible Orion AIU. As a whole, a number of different interesting engineering projects were worked on over the course of this semester. For many of these projects, acoustic simulations provided valuable insight into how different environments would respond to sound. While work is still underway to verify the results of these simulations, the results are fascinating because of the interesting ways that sound waves interact with the environment. Going forward, it will be interesting to see how closely these results can be matched by real-world test data.

Wood, Eric J.↗

Using GIS for Processing, Analysis and Visualization of Hydrological Model Data - 16202

The Applied Research Center at Florida International University (ARC-FIU) is supporting the soil and groundwater remediation efforts of the U.S. Department of Energy's (DOE's) Savannah River Site (SRS) by developing a surface water model to simulate the hydrology and the fate and transport of contaminants and sediment in the Tims Branch watershed. Advances in ArcGIS software through the development of spatial GIS database (geo-database) technology, coupled with the development of data models such as ArcHydro which possesses a spatial relational database management system (RDMS) schema and relationship structure specific to hydrologic systems, provides modelers with tools and applications to assist in the processing, analysis and visualization of flow and contaminant transport data. In addition, the coupling of this type of geo-database structure with a numerical modeling package such as MIKE SHE/MIKE 11 can serve as an efficient tool that significantly reduces the time needed for data preparation. The MIKE modeling system has a geographic information systems (GIS) user interface built into its system that can directly use GIS data for model inputs. GIS-based hydrologic models can provide a spatial element that other hydrologic models lack. GIS is important for processing and analysis of large spatio-temporal datasets derived from multiple sources that are being used for setting up of models, model calibration and simulation of flow and contaminant fate and transport. GIS-based approaches in hydrological modeling can also provide the benefit of combining different layers of geographic data to create new integrated information which can be quite useful for creating dependent or independent hydrological variables. ARC-FIU has developed an ArcGIS geo-database to support the hydrological modeling work being conducted at SRS. The SRS geo-database was developed based on the ArcHydro and ArcGIS Base Map data models with modifications made for project specific input parameters. The significance of this approach was to ensure its replicability for potential application at other DOE sites. The SRS geo-database assists in the storage and management of GIS and time series data being used for hydrological model development at Savannah River Site. Other GIS tools such as ArcGIS Model Builder coupled with Python scripting have enabled the automation of many of the repetitive geo-processing tasks required for pre- and post-processing of the hydrological modeling data. Automation of many of the data processing tasks has facilitated faster and hence more complex analyses of field test data. The toolbox created is also a scalable and reusable application that can be implemented in other watersheds. This paper describes the use of ArcGIS tools for the pre-processing, spatial delineation and analysis of hydrological model data; for automation of repetitive geo-processing tasks; and for visualization of different hydrological components of the Tims Branch watershed. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Reversal of particle flux in collisional-finite beta tokamak discharges

The mixed gradient method [Zhong et al. Phys. Rev. Lett. 111, 265001 (2013)] is adopted and effects of collisions and finite beta are included in the Weiland 9-equation fluid model. The particle flux and particle pinch, obtained using the Weiland anomalous transport fluid model, are compared with Tore Supra experimental results. Particle transport is also studied using predictive simulation data for an experimental advanced superconducting tokamak discharge in which neutral beam heating is utilized. The effects of collisions on particle transport are studied by turning collisions on and off in the Weiland model. It is found that the particle pinch region is related to the mode structure. The particle pinch region coincides with the region where the strong ballooning modes are present due to large gradients. The general properties of the fluid model are examined by finding regions where collisions can enhance the particle pinch.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Space Weather Modeling and Prediction for Intermediate Time-scales

Much of solar activity within a sunspot cycle occurs as bursts, or 'seasons' of strong activity over several months, separated by periods of much less activity. The most important space weather effects occur during these bursts. Previous modeling and forecasting efforts have focused on time-scales of hours-to-days and decades-to-centuries. The recent discovery of Rossby waves in the Sun, together with recently developed global models of solar MHD Rossby waves and their interactions with differential rotation and spot-producing magnetic fields, reveal the opportunity to simulate and predict the occurrence, strength and location of enhanced activity bursts a few weeks up to several months in advance. We now have a golden opportunity to fill in this gap in time-scales of forecasting space weather. This requires a) continuous observations of solar Rossby waves by various techniques; b) development of coupled nonlinear MHD models that simulate both global Rossby waves and the much smaller spatial scale emergence of new active regions; c) application of advanced data assimilation techniques to couple surface observations to update the model-system to integrate forward in time for creating forecasts months ahead. Then it will be possible to build operational prediction models to meet the needs of customers and stakeholders, including support of future NASA missions, regarding what kind and level of space weather to expect a few weeks to several months ahead.

SMD↗

Overview of the Field Phase of the NASA Tropical Cloud Systems and Processes (TCSP)Experiment

The Tropical Cloud Systems and Processes experiment is sponsored by the National Aeronautics and Space Administration (NASA) to investigate characteristics of tropical cyclone genesis, rapid intensification and rainfall using a three-pronged approach that emphasizes satellite information, suborbital observations and numerical model simulations. Research goals include demonstration and assessment of new technology, improvements to numerical model parameterizations, and advancements in data assimilation techniques. The field phase of the experiment was based in Costa Rica during July 2005. A fully instrumented NASA ER-2 high altitude airplane was deployed with Doppler radar, passive microwave instrumentation, lightning and electric field sensors and an airborne simulator of visible and infrared satellite sensors. Other assets brought to TCSP were a low flying uninhabited aerial vehicle, and a surface-based radiosonde network. In partnership with the Intensity Forecasting Experiment of the National Oceanic and Atmospheric Administration (NOAA) Hurricane Research Division, two NOAA P-3 aircraft instrumented with radar, passive microwave, microphysical, and dropsonde instrumentation were also deployed to Costa Rica. The field phase of TCSP was conducted in Costa Rica to take advantage of the geographically compact tropical cyclone genesis region of the Eastern Pacific Ocean near Central America. However, the unusual 2005 hurricane season provided numerous opportunities to sample tropical cyclone development and intensification in the Caribbean Sea and Gulf of Mexico as well. Development of Hurricane Dennis and Tropical Storm Gert were each investigated over several days in addition to Hurricane Emily as it was close to Saffir-Simpson Category 5 intensity. An overview of the characteristics of these storms along with the pregenesis environment of Tropical Storm Eugene in the Eastern Pacific will be presented.

Hood, Robbie E.↗

The Modeling of Advanced BWR Fuel Designs with the NRC Fuel Depletion Codes PARCS/PATHS

The PATHS (PARCS Advanced Thermal Hydraulic Solver) code was developed at the University of Michigan in support of U.S. Nuclear Regulatory Commission research to solve the steady-state, two-phase, thermal-hydraulic equations for a boiling water reactor (BWR) and to provide thermal-hydraulic feedback for BWR depletion calculations with the neutronics code PARCS (Purdue Advanced Reactor Core Simulator). The simplified solution methodology, including a three-equation drift flux formulation and an optimized iteration scheme, yields very fast run times in comparison to conventional thermal-hydraulic systems codes used in the industry, while still retaining sufficient accuracy for applications such as BWR depletion calculations. Lastly, the capability to model advanced BWR fuel designs with part-length fuel rods and heterogeneous axial channel flow geometry has been implemented in PATHS, and the code has been validated against previously benchmarked advanced core simulators as well as BWR plant and experimental data. We describe the modifications to the codes and the results of the validation in this paper.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

On the Role of Friction and Particle Size Distribution in Granular Packings

Packing of particles in a disordered arrangement has tremendous significance in both condensed matter physics and engineering applications. The last three decades have seen remarkable progress in our understanding of the physics of granular packings that has been largely facilitated by a rapid growth in the power of modern computers. Although granular packings are ubiquitous in diverse natural settings, from clogging of powders in hoppers to the crowding of living cells, a significant motivation for modeling granular packings has emerged from a proposal that the transition from a fluid-like state to a solid-like state of a granular material upon increasing volume fraction, called jamming, is intimately related to the origins of glass transition in thermal systems. As such, a majority of modeling efforts have focused on the jamming behavior of an idealized granular material: frictionless, monodisperse sphere. While such studies have illuminated the rich physics of jamming, granular materials in nature and engineering practice are rarely frictionless or monodisperse. The analogous research on the packing of these ‘real-world’ granular materials is still not fully developed. Besides requiring the exploration of a huge parameter space, three key computational considerations have inhibited their modeling: (i) traditional computational methods are not adept at simulating mechanically-stable packings of frictional particles near the jamming transition; (ii) standard algorithms of contact detection in discrete element methods are impractical to simulate granular packings with a wide distribution of particle sizes; (iii) a lack of well-established contact mechanics models of friction that can accurately reproduce experimental data. This chapter will review the latest computational advances to simulate the jamming of size-dispersed frictional particles, and describe the rich microstructural diversity that emerges in their packings.

granular↗

FY2019 Analysis Program Annual Progress Report

The VTO Analysis Program supports mission-critical technology, economic, and interdisciplinary analyses to assist in prioritizing VTO technology investments and to inform research portfolio planning. These efforts provide essential vehicle and market data, modeling and simulation, and integrated and applied analyses, using the unique capabilities, analytical tools, and expertise resident in the national laboratory system.

33 ADVANCED PROPULSION SYSTEMS↗

Proposal of a Novel Approach to Developing Material Models for Micro-scale Composites Based on Testing and Modeling of Macro-scale Composites

The Los Alamos National Laboratory's Weapon Systems Engineering division's Advanced Engineering Analysis group employs material constitutive models of composites for use in simulations of components and assemblies of interest. Experimental characterization, modeling and prediction of the macro-scale (i.e. continuum) behaviors of these composite materials is generally difficult because they exhibit nonlinear behaviors on the meso- (e.g. micro-) and macro-scales. Furthermore, it can be difficult to measure and model the mechanical responses of the individual constituents and constituent interactions in the composites of interest. Current efforts to model such composite materials rely on semi-empirical models in which meso-scale properties are inferred from continuum level testing and modeling. The proposed approach involves removing the difficulties of interrogating and characterizing micro-scale behaviors by scaling-up the problem to work with macro-scale composites, with the intention of developing testing and modeling capabilities that will be applicable to the mesoscale. This approach assumes that the physical mechanisms governing the responses of the composites on the meso-scale are reproducible on the macro-scale. Working on the macro-scale simplifies the quantification of composite constituents and constituent interactions so that efforts can be focused on developing material models and the testing techniques needed for calibration and validation. Other benefits to working with macro-scale composites include the ability to engineer and manufacture—potentially using additive manufacturing techniques—composites that will support the application of advanced measurement techniques such as digital volume correlation and three-dimensional computed tomography imaging, which would aid in observing and quantifying complex behaviors that are exhibited in the macro-scale composites of interest. Ultimately, the goal of this new approach is to develop a meso-scale composite modeling framework, applicable to many composite materials, and the corresponding macroscale testing and test data interrogation techniques to support model calibration.

36 MATERIALS SCIENCE↗

Advanced Manufacturing for Nuclear Core Design

Advanced manufacturing technologies are fundamentally altering the way components are designed and manufactured. The potential application space for these technologies within the nuclear industry is broad, with the most benefit realized from the ability to approach the nuclear core design problem from an advanced manufacturing perspective. One of the objectives of the US Department of Energy Office of Nuclear Energy (DOE-NE) Transformational Challenge Reactor (TCR) design and analysis activities is to demonstrate this approach. A mitigation of conventional constraints realized through advanced manufacturing methods opens up the design space, enabling a departure from typical axially uniform pin- and plate-type geometries common to operating nuclear reactors worldwide. The ability to use more heterogenous spatial and material flexibilities increases the demand on the predictability of higher fidelity modeling and simulation tools to be used in the design, analysis, and optimization processes. Leading candidate advanced manufacturing technologies for nuclear applications are additive methods that provide for high dimensional control and incorporation of small design features such as powder bed fusion, laser directed energy deposition, and binder jetting. Potential applications to core design identified during DOE-NE TCR design and analysis activities fall into two categories: those that are uniquely enabled by additive manufacturing technologies and those that are enabled by the characteristics (e.g., repeatability and instrumentation) inherent to these technologies. Identified applications include reducing in-core parasitic materials, improving heat conduction across fuel-cladding gaps, optimizing thermal hydraulic design with flexible coolant flow geometries, reducing uncertainties in manufactured components, optimizing core conditions with design heterogeneities, designing feedback mechanisms using material characteristics, and embedding burnable poisons. These potential applications join a host of nuclear industry advanced manufacturing activities to recapture manufacturing capabilities, reduce manufacturing costs and complexities, reduce deployment time, and enable performance and operational enhancements.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Development of NASA/DOE NTP System Performance Models

A critical enabling technology in the evolutionary development of Nuclear Thermal Propulsion (NTP) is the ability to predict the system performance under a variety of operating conditions. The ability to predict the system performance is critical for mission analysis and for control subsystem testing, as well as for the modeling of various failure modes. Performance must be accurately predicted during steady-state and transient operation, such as start-up, shut-down and after-cooling. The development and application of verified and validated system models has the potential to reduce testing, cost and time required for the technology to again reach flight-ready status. An integrated NASA/DOE team was formed in late 1991 to develop and implement a strategy for modeling NTP systems. It is the intent of the interagency team to develop several levels of computer programs, which vary in detail, to simulate NTP systems based on either prismatic, particle or advanced fuel forms. This paper presents an overview of the models under development by the interagency team. In addition, the status of the development and validation efforts for the Level 1 steady-state parametric model is discussed.

Walton, James T.↗

Advancing material modeling in hydrocodes using a concurrent finite-element and molecular dynamics multiscale framework

We present a multiscale simulation framework that couples the finite-element method with molecular dynamics. Bypassing traditional equations of state (EOS) by using in-line atomistic simulations, the method offers the advantage of incorporating detailed microscale physics not easily represented with coarse-grained models. Coupling consistency with the continuum code is ensured through the use of lifting and restriction operators, in line with heterogeneous multiscale methods. The concurrent continuum-atomistic framework is validated through comparison with experimental results and conventional EOS models, and demonstrated in a shock-driven hydrodynamic flow simulation under extreme conditions. We further evaluate the framework's usability by comparing it to state-of-the-art EOS models of deuterium. A computational performance study reveals that the atomistic EOS evaluation is a feasible alternative to conventional approaches, and demonstrates a weak scaling of 99% efficiency. These results highlight the framework's potential for large-scale multiscale modeling across a broad range of materials and conditions.

Computer science↗

Impact of Advanced Vehicle Technologies on Energy Consumption for the City of Detroit Using Transportation System Simulations

In developing a transportation system model, the energy impact of the model is extremely important for sustainability and validation. One approach to evaluating the energy impact is to consider the amount of fuel consumed by transportation in the model for different scenarios and technologies. Argonne National Laboratory has collaborated with the Southeast Michigan Council of Governments (SEMCOG) and the Detroit Department of Transportation to develop and validate a transportation system model for Southeast Michigan, focusing on the city of Detroit. The objective of this paper is to analyze the vehicle energy consumption in the Detroit Transportation System model. The focus is on evaluating the SEMCOG road network drive cycles as performed with current and future vehicle technologies.

Islam, Ehsan↗

Composite Cure Process Modeling and Simulations using COMPRO(Registered Trademark) and Validation of Residual Strains using Fiber Optics Sensors

Composite cure process induced residual strains and warping deformations in composite components present significant challenges in the manufacturing of advanced composite structure. As a part of the Manufacturing Process and Simulation initiative of the NASA Advanced Composite Project (ACP), research is being conducted on the composite cure process by developing an understanding of the fundamental mechanisms by which the process induced factors influence the residual responses. In this regard, analytical studies have been conducted on the cure process modeling of composite structural parts with varied physical, thermal, and resin flow process characteristics. The cure process simulation results were analyzed to interpret the cure response predictions based on the underlying physics incorporated into the modeling tool. In the cure-kinetic analysis, the model predictions on the degree of cure, resin viscosity and modulus were interpreted with reference to the temperature distribution in the composite panel part and tool setup during autoclave or hot-press curing cycles. In the fiber-bed compaction simulation, the pore pressure and resin flow velocity in the porous media models, and the compaction strain responses under applied pressure were studied to interpret the fiber volume fraction distribution predictions. In the structural simulation, the effect of temperature on the resin and ply modulus, and thermal coefficient changes during curing on predicted mechanical strains and chemical cure shrinkage strains were studied to understand the residual strains and stress response predictions. In addition to computational analysis, experimental studies were conducted to measure strains during the curing of laminated panels by means of optical fiber Bragg grating sensors (FBGs) embedded in the resin impregnated panels. The residual strain measurements from laboratory tests were then compared with the analytical model predictions. The paper describes the cure process procedures and residual strain predications, and discusses pertinent experimental results from the validation studies.

Sreekantamurthy, Thammaiah↗