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At least 1,099 records · Page 61

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DOE OSTI2016

Global Solutions Through Simulation For Better Decommissioning - 16457

Each nuclear facility is different due to their history and there is no rule for choosing a decommissioning strategy. There are three major decommissioning strategies. First, 'immediate dismantling', which means the decommissioning begins immediately after the transfer of waste and nuclear material. Second, 'deferred dismantling strategy', meaning the facility is maintained into a containment zone from thirty to one hundred years before being decommissioned. Finally, 'entombment', referring to the placement of the facility into a reinforced containment until the radionuclides decay and reach a level allowing the site release. When a strategy is decided many factors have to be taken into account. Into a major project such as a reactor decommissioning, there are many smaller projects and the decommissioning strategy can be different among these smaller projects. Very often, some entry data are not perfectly known, for example, the dosimetric activity has not been updated through time or after specific events. Because of uncertainties and/or hypothesis existing around projects and their high level of interdependency, global solutions are a good way to choose the best decommissioning strategy. Especially since each entry data has consequences on output results whether it is on costs, cumulated dose, waste or delays. Also the dose, delays or waste management, all have impact on costs. To obtain an optimal scenario into a special environment, it is necessary to deal with all these items together. This global solution can be implemented thanks to simulation in dedicated software which helps define the global strategy, optimize the scenario, and prevent contingencies. For a specific environment, when many scenarios have been developed and simulated, sensitivity studies are really important to choose the optimal decommissioning strategy. Sensitivity studies can be done with simulation tools by comparing results of scenarios directly into the software. This comparison helps to choose the optimal scenario according to which output data is considered as key determinant. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2021

A Multi-physics Computational Investigation of Droplet Pathogen Transport Eminating from Synthetic Coughs and Breathing

In response to the global SARS-CoV-2 transmission pandemic, Sandia National Laboratories Rapid Lab-Directed Research and Development (LDRD) COVID-19 initiative has deployed a multi-physics, droplet-laden, turbulent low-Mach simulation tool to model pathogen-containing water droplets that emanate from synthetic human coughing and breathing. The low-Mach turbulent Eulerian/point-particle Lagrangian methodology directly couples mass, momentum, energy, and species to capture droplet evaporation physics that supports the ability to distinguish between droplets that deposit and those that persist in the environment. Additionally, the cough mechanism is modeled as a pulsed-spray with a prescribed log-normal droplet size distribution. Simulations demonstrate direct droplet deposition lengths in excess of three meters while the persistence of a droplet nuclei entrained within a buoyant plume is noted. Including the effect of protective barriers demonstrates effective mitigation of large-droplet transport. For coughs into a protective barrier, jet impingement and large-scale re-circulation can drive droplets vertically and back towards the subject while supporting persistence of droplet nuclei. Simulations in quiescent conditions demonstrate droplet preferential concentrations due to the coupling between vortex ring shedding and the subsequent advection of a series of three-dimensional rings that tilt and rise vertically due to a misalignment between the initial principle vortex trajectory and gravity. These resolved coughing simulations note vortex ring formation, roll-up and breakdown, while entraining droplet nuclei for large distances and time scales.

42 ENGINEERING↗

DOE OSTI2017

Fully Implict Magneto-hydrodynamics Simulations of Coaxial Plasma Accelerators

The resistive Magneto-Hydrodynamic (MHD) model describes the behavior of a strongly ionized plasma in the presence of external electric and magnetic fields. We developed a fully implicit MHD simulation tool to solve the resistive MHD governing equations in the context of a cell-centered finite-volume scheme. The primary objective of this study is to use the fully-implicit algorithm to obtain insights into the plasma acceleration and jet formation processes in Coaxial Plasma accelerators; electromagnetic acceleration devices that utilize self-induced magnetic fields to accelerate thermal plasmas to large velocities. We also carry out plasma-surface simulations in order to study the impact interactions when these high velocity plasma jets impinge on target material surfaces. Scaling studies are carried out to establish some basic functional relationships between the target-stagnation conditions and the current discharged between the coaxial electrodes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2015

Quantifying the Effect of Fast Charger Deployments on Electric Vehicle Utility and Travel Patterns via Advanced Simulation: Preprint

The disparate characteristics between conventional (CVs) and battery electric vehicles (BEVs) in terms of driving range, refill/recharge time, and availability of refuel/recharge infrastructure inherently limit the relative utility of BEVs when benchmarked against traditional driver travel patterns. However, given a high penetration of high-power public charging combined with driver tolerance for rerouting travel to facilitate charging on long-distance trips, the difference in utility between CVs and BEVs could be marginalized. We quantify the relationships between BEV utility, the deployment of fast chargers, and driver tolerance for rerouting travel and extending travel durations by simulating BEVs operated over real-world travel patterns using the National Renewable Energy Laboratory's Battery Lifetime Analysis and Simulation Tool for Vehicles (BLAST-V). With support from the U.S. Department of Energy's Vehicle Technologies Office, BLAST-V has been developed to include algorithms for estimating the available range of BEVs prior to the start of trips, for rerouting baseline travel to utilize public charging infrastructure when necessary, and for making driver travel decisions for those trips in the presence of available public charging infrastructure, all while conducting advanced vehicle simulations that account for battery electrical, thermal, and degradation response. Results from BLAST-V simulations on vehicle utility, frequency of inserted stops, duration of charging events, and additional time and distance necessary for rerouting travel are presented to illustrate how BEV utility and travel patterns can be affected by various fast charge deployments.

25 ENERGY STORAGE↗

DOE OSTI2015

Multi-scaled normal mode analysis method for dynamics simulation of protein-membrane complexes: A case study of potassium channel gating motion correlations

Membrane proteins play critically important roles in many cellular activities such as ions and small molecule transportation, signal recognition, and transduction. In order to fulfill their functions, these proteins must be placed in different membrane environments and a variety of protein-lipid interactions may affect the behavior of these proteins. One of the key effects of protein-lipid interactions is their ability to change the dynamics status of membrane proteins, thus adjusting their functions. Here, we present a multi-scaled normal mode analysis (mNMA) method to study the dynamics perturbation to the membrane proteins imposed by lipid bi-layer membrane fluctuations. In mNMA, channel proteins are simulated at all-atom level while the membrane is described with a coarse-grained model. mNMA calculations clearly show that channel gating motion can tightly couple with a variety of membrane deformations, including bending and twisting. We then examined bi-channel systems where two channels were separated with different distances. From mNMA calculations, we observed both positive and negative gating correlations between two neighboring channels, and the correlation has a maximum as the channel center-to-center distance is close to 2.5 times of their diameter. This distance is larger than recently found maximum attraction distance between two proteins embedded in membrane which is 1.5 times of the protein size, indicating that membrane fluctuation might impose collective motions among proteins within a larger area. The hybrid resolution feature in mNMA provides atomic dynamics information for key components in the system without costing much computer resource. We expect it to be a conventional simulation tool for ordinary laboratories to study the dynamics of very complicated biological assemblies. The source code is available upon request to the authors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Dynamic Earth Energy Storage: Terawatt-year, Grid-scale Energy Storage Using Planet Earth as a Thermal Battery (GeoTES): Phase I Project (Final Report)

Grid-scale energy storage has been identified by the U.S. Department of Energy’s (DOE) Energy Storage Grand Challenge as a necessary technology to support the continued build-out of intermittent renewable energy resources required to attain a carbon-free energy future. To meet this goal, the 2018 Department of Energy Research and Innovation Act mandated the creation of a comprehensive program to accelerate the development and commercialization of next-generation energy storage technologies. One of numerous energy storage technology options is the storage of excess energy as heated geothermal brine in suitable geologic formations. This concept, known as reservoir thermal energy storage (RTES), geologic thermal energy storage (GeoTES), aquifer thermal energy storage (ATES), etc., relies on the storage of thermal energy in geologic formations for recovery and use in large-scale direct use geothermal (e.g., district heating, industrial processes, etc.) and electrical power generation applications. This thermal energy is derived from excess or waste heat from any high-temperature heat source, such as concentrated solar or from conventional thermal/nuclear generation. As such, RTES can potentially play a significant role in meeting the energy storage shortfall in the coming decades. RTES can provide energy arbitrage through both the storage and production of thermal energy stored in geologic formations for direct use applications and can serve as a source of hot fluids that can be used to generate electricity to support peak demand ramping, thus easing stress on transmission and distribution. This energy storage option has geographic benefits in that energy can be stored locally or regionally depending on the various needs/loads. RTES can also be located across an enormous geographic area, without the need for a traditional hydrothermal resource but where thermal gradients and hydrogeology allow economic exploitation of subsurface heat. The work conducted for this project includes (1) a review of lessons learned from past high-temperature RTES international projects; (2) geochemical experimental investigation and numerical simulations of potential domestic sedimentary reservoirs and (3) development of a thermo-hydrological-mechanical (THM) numerical simulation tool for optimizing formation properties and design parameters to maximize thermal energy storage performance.

15 GEOTHERMAL ENERGY↗

DOE OSTI2019

A spatially adaptive high-order meshless method for fluid–structure interactions

We present a scheme implementing an a posteriori refinement strategy in the context of a high-order meshless method for problems involving point singularities and fluid–solid interfaces. The generalized moving least squares (GMLS) discretization used in this work has been previously demonstrated to provide high-order compatible discretization of the Stokes and Darcy problems, offering a high-fidelity simulation tool for problems with moving boundaries. The meshless nature of the discretization is particularly attractive for adaptive h -refinement, especially when resolving the near-field aspects of variables and point singularities governing lubrication effects in fluid–structure interactions. We demonstrate that the resulting spatially adaptive GMLS method is able to achieve optimal convergence in the presence of singularities for both the div-grad and Stokes problems. Furthermore, we present a series of simulations for flows of colloid suspensions, in which the refinement strategy efficiently achieved highly accurate solutions, particularly for colloids with complex geometries.

42 ENGINEERING↗

DOE OSTI2023

Expanded verification and validation studies of hypersonic aerodynamics with multiple physics-fidelity models

Hypersonic aerothermodynamics is an important domain of modern multiphysics simulation. The Multi-Fidelity Toolkit is a simulation tool being developed at Sandia National Laboratories to predict aerodynamic properties for compressible flows from a range of physics fidelities and computational speeds. These models include the Reynolds-averaged Navier–Stokes (RANS) equations, the Euler equations with momentum-energy integral technique (MEIT), and modified Newtonian aerodynamics with flat-plate boundary layer (MNA+FPBL) equations, and they can be invoked independently or coupled with hierarchical Kriging to interpolate between high-fidelity simulations using lower-fidelity data. However, as with any new simulation capability, verification and validation are necessary to gather credibility evidence. This work describes formal code- and solution-verification activities, as well as model validation with uncertainty considerations. Code verification activities on the MNA+FPBL model build on previous work by focusing on the viscous portion of the model. Viscous quantities of interest are compared against those from an analytical solution for flat-plate, inclined-plate, and cone geometries. The code verification methodology for the MEIT model is also presented. Test setup and results of code verification tests on the laminar and turbulent models within MEIT are shown. Solution-verification activities include grid-refinement studies on simulations that model the HIFiRE-1 wind tunnel experiments. These experiments are used for validation of all model fidelities. A thorough validation comparison with prediction error and uncertainty is also presented. Three additional HIFiRE-1 experimental runs are simulated in this study, and the solution verification and validation work examines the effects of the associated parameter changes on model performance. Finally, a study is presented that compares the computational costs and fidelities from each of the different models.

42 ENGINEERING↗

DOE OSTI2016

Coupling the System Analysis Module with SAS4A/SASSYS-1

SAS4A/SASSYS-1 is a simulation tool used to perform deterministic analysis of anticipated events as well as design basis and beyond design basis accidents for advanced reactors, with an emphasis on sodium fast reactors. SAS4A/SASSYS-1 has been under development and in active use for nearly forty-five years, and is currently maintained by the U.S. Department of Energy under the Office of Advanced Reactor Technology. Although SAS4A/SASSYS-1 contains a very capable primary and intermediate system modeling component, PRIMAR-4, it also has some shortcomings: outdated data management and code structure makes extension of the PRIMAR-4 module somewhat difficult. The user input format for PRIMAR-4 also limits the number of volumes and segments that can be used to describe a given system. The System Analysis Module (SAM) is a fairly new code development effort being carried out under the U.S. DOE Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. SAM is being developed with advanced physical models, numerical methods, and software engineering practices; however, it is currently somewhat limited in the system components and phenomena that can be represented. For example, component models for electromagnetic pumps and multi-layer stratified volumes have not yet been developed. Nor is there support for a balance of plant model. Similarly, system-level phenomena such as control-rod driveline expansion and vessel elongation are not represented. This report documents fiscal year 2016 work that was carried out to couple the transient safety analysis capabilities of SAS4A/SASSYS-1 with the system modeling capabilities of SAM under the joint support of the ART and NEAMS programs. The coupling effort was successful and is demonstrated by evaluating an unprotected loss of flow transient for the Advanced Burner Test Reactor (ABTR) design. There are differences between the stand-alone SAS4A/SASSYS-1 simulations and the coupled SAS/SAM simulations, but these are mainly attributed to the limited maturity of the SAM development effort. The severe accident modeling capabilities in SAS4A/SASSYS-1 (sodium boiling, fuel melting and relocation) will continue to play a vital role for a long time. Therefore, the SAS4A/SASSYS-1 modernization effort should remain a high priority task under the ART program to ensure continued participation in domestic and international SFR safety collaborations and design optimizations. On the other hand, SAM provides an advanced system analysis tool, with improved numerical solution schemes, data management, code flexibility, and accuracy. SAM is still in early stages of development and will require continued support from NEAMS to fulfill its potential and to mature into a production tool for advanced reactor safety analysis. The effort to couple SAS4A/SASSYS-1 and SAM is the first step on the integration of these modeling capabilities.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2021

High Flux Isotope Reactor Low-Enriched Uranium Low Density Silicide Fuel Design Parameters

High Flux Isotope Reactor (HFIR) highly enriched uranium (HEU) to low-enriched uranium (LEU) conversion activities are ongoing as part of the Department of Energy (DOE) National Nuclear Security Administration (NNSA)’s nuclear nonproliferation mission. Design activities studying the conversion of HFIR from HEU to LEU fuel explored different fuel design features and shapes with a low density uranium-silicide dispersion (U 3 Si 2 -Al) fuel, which has a uranium density of 4.8 gU/cm 3 . The goal of these studies is to generate several HFIR LEU fuel designs of varying fuel fabrication complexity that meet the current HEU performance metrics and safety requirements. The documented designs will serve as references for fuel fabrication and qualification activities. Recent advancements in modeling and simulation tools enable quick prototyping of fuel designs. Shift, a Monte Carlo neutron transport and depletion tool optimized for high-performance computing (HPC) architectures, is used for efficient fuel cycle and performance metrics calculations. The HFIR Steady State Heat Transfer Code (HSSHTC) is used to vet the thermal safety margin. Also, a new automation tool that connects all fuel design analysis steps, named Python HFIR Analysis and Measurement Engine (PHAME), has been developed to expedite the design study in an efficient and reproducible manner. Leveraging these tools, several candidate fuel designs were selected for varying fabrication complexity. This report provides design feature details for four selected HFIR LEU low density U 3 Si 2 -Al fuel designs and their corresponding performance and safety metrics. Nominal, best-estimate design parameters and irradiation conditions, including fission rate densities, power densities, heat fluxes, and cumulative fission densities are provided for candidate fuel designs relevant to framing irradiation experiments to support fuel qualification efforts. Simulations show that the low density U 3 Si 2 -Al, with design features to enhance safety, can meet HEU core performance metrics and safety requirements if the reactor power is increased from 85 MW (HEU) to 95 MW (LEU) and if the active fuel length is increased from 50.80 cm (HEU) to 55.88 cm (LEU).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Enhanced Monte Carlo Simulations for Electron Energy Loss Mitigation in Real-Space Nanoimaging of Thick Biological Samples and Microchips

High-resolution imaging using Transmission Electron Microscopy (TEM) is essential for applications such as grain boundary analysis, microchip defect characterization, and biological imaging. However, TEM images are often compromised by electron energy spread and other factors. In TEM mode, where the objective and projector lenses are positioned downstream of the sample, electron–sample interactions cause energy loss, which adversely impacts image quality and resolution. This study introduces a simulation tool to estimate the electron energy loss spectrum (EELS) as a function of sample thickness, covering electron beam energies from 300 keV to 3 MeV. Leveraging recent advances in MeV-TEM/STEM technology, which includes a state-of-the-art electron source with 2-picometer emittance, an energy spread of 3 × 10 -5 , and optimized beam characteristics, we aim to minimize energy spread. By integrating EELS capabilities into the BNL Monte Carlo (MC) simulation code for thicker samples, we evaluate electron beam parameters to mitigate energy spread resulting from electron–sample interactions. Based on our simulations, we propose an experimental procedure for quantitively distinguishing between elastic and inelastic scattering. The findings will guide the selection of optimal beam settings, thereby enhancing resolution for nanoimaging of thick biological samples and microchips.

36 MATERIALS SCIENCE↗

DOE OSTI2022

A Blockchain Based Co-Simulation Framework for Integrating DERs to Wholesale Electricity Markets: Preprint

As the number of distributed energy resources (DERs) continue to increase across energy-delivery systems, there remains a need for integrating their capabilities into traditional grid operations. In this paper, a blockchain-based solution is proposed to facilitate FERC's Order No. 2222 implementations. The presented use-case enables small-scale DERs to participate in wholesale market operations through DER aggregators, while also enabling local distribution system operators to enforce distribution system constraints in a secure and traceable manner. The presented use case is built around the Unified Testing Platform (UTP) being developed as a part of the Blockchain for Optimized Security and Energy Management (BLOSEM) project. This is a multi-lab effort intended to simplify the deployment of blockchain-powered grid solutions by enabling the integration of simulation tools, and blockchain technologies through the use of system-agnostic interfaces that provide a modular, interoperable, and reusable connectivity layer.

blockchain testing↗

DOE OSTI2022

PeleC: An adaptive mesh refinement solver for compressible reacting flows

Reacting flow simulations for combustion applications require extensive computing capabilities. Leveraging the AMReX library, the Pele suite of combustion simulation tools targets the largest supercomputers available and future exascale machines. We introduce PeleC, the compressible solver in the Pele suite, and detail its capabilities, including complex geometry representation, chemistry integration, and discretization. We present a comparison of development efforts using both OpenACC and AMReX’s C++ performance portability framework for execution on multiple GPU architectures. We discuss relevant details that have allowed PeleC to achieve high performance and scalability. PeleC’s performance characteristics are measured through relevant simulations on multiple supercomputers. The success of PeleC’s design for exascale is exhibited through demonstration of a 160 billion cell simulation and weak scaling onto 100% of Summit, an NVIDIA-based GPU supercomputer at Oak Ridge National Laboratory. Our results provide confidence that PeleC will enable future combustion science simulations with unprecedented fidelity.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2014

Evaluating Domestic Hot Water Distribution System Options with Validated Analysis Models

A developing body of work is forming that collects data on domestic hot water consumption, water use behaviors, and energy efficiency of various distribution systems. Transient System Simulation Tool (TRNSYS) is a full distribution system developed that has been validated using field monitoring data and then exercised in a number of climates to understand climate impact on performance. In this study, the Building America team built upon previous analysis modeling work to evaluate differing distribution systems and the sensitivities of water heating energy and water use efficiency to variations of climate, load, distribution type, insulation and compact plumbing practices. Overall, 124 different TRNSYS models were simulated. The results of this work are useful in informing future development of water heating best practices guides as well as more accurate (and simulation time efficient) distribution models for annual whole house simulation programs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2021

Enabling Combustion Science Simulations for Future Exascale Machines

Reacting flow simulations for combustion applications require extensive computing capabilities. Leveraging the AMReX library, the Pele suite of combustion simulation tools targets the largest supercomputers available and future exascale machines. We introduce PeleC, the compressible solver in the Pele suite, and detail its capabilities, including complex geometry representation, chemistry integration, and discretization. We present a comparison of development efforts using both OpenACC and AMReX's C++ performance portability framework for execution on multiple GPU architectures. We discuss relevant details that have allowed PeleC to achieve high performance and scalability. PeleC's performance characteristics are measured through relevant simulations on multiple supercomputers. The success of PeleC's design for exascale is exhibited through demonstration of a 160 billion cell simulation and weak scaling onto 100\% of Summit, an NVIDIA-based GPU supercomputer at Oak Ridge National Laboratory. Our results provide confidence that PeleC will enable future combustion science simulations with unprecedented fidelity.

combustion↗

DOE OSTI2024

Development and Verification of an Improved Wake-Added Turbulence Model in FAST.Farm

We introduce a generalized wake-added turbulence (WAT) model in the multiphysics, multiturbine simulation tool FAST.Farm. The WAT model introduces additional small-scale turbulence that represents the breakdown of vortical structures and shear layers in the wake. The article describes the development, implementation, calibration, and verification of the model. The novelties of the model include support for wake asymmetry, buildup of WAT across the wind farm, and secondary effects of wake-induced turbulence (e.g., wake meandering) driven by smaller-scale turbulence structures that arise from wake breakdown. Large-eddy simulations were run to support the calibration of the WAT parameters and verification of the model. Previous studies hypothesized that the lack of WAT modeling was the source of underprediction of fatigue loads, in particular for cases at low turbulence intensities and/or stable atmospheric boundary layers. This study confirms that the newly implemented WAT model enhances the loads predictions in these cases.

17 WIND ENERGY↗

DOE OSTI2024

Positive-Sequence Modeling of Droop-Controlled Grid-Forming Inverters for Transient Stability Simulation of Transmission Systems

Here, this paper describes a positive-sequence model to represent two widely reported droop-controlled grid-forming inverters for bulk power systems simulation study. Methods of how to develop the equivalent voltage source behind impedance to represent inverters with and without inner control loops, modeling of P-f and Q-V droop controls, active and reactive power limiting modeling, and modeling of fault current limiting controls are described in detail. The model is implemented in commercially available positive-sequence simulation tools and compared with detailed electromagnetic transient models in both a single-grid-forming-inverter infinite-bus system and a modified IEEE 39-bus system. Finally, the model is tested on the full US Western Electricity Coordinating Council (WECC) system. Study results show that the model has a good level of accuracy compared to the detailed EMT models, and at the same time also achieves a high computational efficiency, which is suitable for the bulk power system simulation study.

42 ENGINEERING↗

NASA NTRS2008

Simulating Operation of a Complex Sensor Network

Simulation Tool for ASCTA Microsensor Network Architecture (STAMiNA) ["ASCTA" denotes the Advanced Sensors Collaborative Technology Alliance.] is a computer program for evaluating conceptual sensor networks deployed over terrain to provide military situational awareness. This or a similar program is needed because of the complexity of interactions among such diverse phenomena as sensing and communication portions of a network, deployment of sensor nodes, effects of terrain, data-fusion algorithms, and threat characteristics. STAMiNA is built upon a commercial network-simulator engine, with extensions to include both sensing and communication models in a discrete-event simulation environment. Users can define (1) a mission environment, including terrain features; (2) objects to be sensed; (3) placements and modalities of sensors, abilities of sensors to sense objects of various types, and sensor false alarm rates; (4) trajectories of threatening objects; (5) means of dissemination and fusion of data; and (6) various network configurations. By use of STAMiNA, one can simulate detection of targets through sensing, dissemination of information by various wireless communication subsystems under various scenarios, and fusion of information, incorporating such metrics as target-detection probabilities, false-alarm rates, and communication loads, and capturing effects of terrain and threat.

Jennings, Esther↗