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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 577 records · Page 32

THREE-DIMENSIONAL SIMULATIONS OF LONG DURATION GAMMA-RAY BURST JETS: TIMESCALES FROM VARIABLE ENGINES

Gamma-ray burst (GRB) light curves are characterized by marked variability, each showing unique properties. The origin of this variability, at least for a fraction of long GRBs, may be the result of an unsteady central engine. It is thus important to study the effects that an episodic central engine has on the jet propagation and, eventually, on the prompt emission within the collapsar scenario. Thus, in this study we follow the interaction of pulsed outflows with their progenitor stars with hydrodynamic numerical simulations in both two and three dimensions. We show that the propagation of unsteady jets is affected by the interaction with the progenitor material well after the break-out time, especially for jets with long quiescent times comparable to or larger than a second. We also show that this interaction can lead to an asymmetric behavior in which pulse durations and quiescent periods are systematically different. After the pulsed jets drill through the progenitor and the interstellar medium, we find that, on average, the quiescent epochs last longer than the pulses (even in simulations with symmetrical active and quiescent engine times). This could explain the asymmetry detected in the light curves of long quiescent time GRBs.

79 ASTRONOMY AND ASTROPHYSICS↗

Numerical Tools for Improved Convergence of Meshfree Peridynamic Discretizations

Peridynamic models have been employed to simulate a broad range of engineering applications concerning material failure and damage, with the majority of these simulations using a meshfree discretization. This chapter reviews that meshfree discretization, related issues present in peridynamic convergence studies, and possible remedies proposed in the literature. In particular, we discuss two numerical tools, partial-volume algorithms and influence functions, to improve the convergence behavior of numerical solutions in peridynamics. Numerical studies in this chapter involve static and dynamic simulations for linear elastic state-based peridynamic problems.

Seleson, Pablo D.↗

Bridging the simulator gap: Measuring motivational bias in digital nuclear power plant environments

Using digital NPP simulator facilities for research in Human Reliability Analysis (HRA) and nuclear power research is increasingly popular. For this work, we propose a method for characterizing and quantifying the gap between data collected in a simulator and data that reflect NPP operations. Using novice operators, we demonstrate how to manipulate and measure the impact of the simulator environment on operator actions. A set of biases are proposed to characterize factors introduced by the simulator environment. There are two categories of simulator bias: Environmental Biases (physical differences between the simulator and the control room), and Motivational Biases (cognitive differences between training in a simulator and operating a NPP). This study examines Motivational Bias. A preliminary causal model of Motivational Biases is introduced and tested in a demonstration experiment using 30 student operators. Data from 41 simulator sessions are analyzed. Data include crew characteristics, operator surveys, and time to recognize and diagnose the accident in the scenario. Quantitative models of the Motivational Biases using Structural Equation Modeling (SEM) are proposed. With these models, we estimate how the effects of the scenario conditions are mediated by simulator bias, and we demonstrate how to quantify the strength of these effects.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Mesoscale to microscale wind farm flow modeling and evaluation

The increasing size of wind turbines, with rotors already spanning more than 150 m diameter and hub heights above 100 m, requires proper modeling of the atmospheric boundary layer (ABL) from the surface to the free atmosphere. Furthermore, large wind farm arrays create their own boundary layer structure with unique physics. This poses significant challenges to traditional wind engineering models that rely on surface-layer theories and engineering wind farm models to simulate the flow in and around wind farms. However, adopting an ABL approach offers the opportunity to better integrate wind farm design tools and meteorological models. The challenge is how to build the bridge between atmospheric and wind engineering model communities and how to establish a comprehensive evaluation process that identifies relevant physical phenomena for wind energy applications with modeling and experimental requirements. A framework for model verification, validation, and uncertainty quantification is established to guide this process by a systematic evaluation of the modeling system at increasing levels of complexity. In terms of atmospheric physics, ‘building the bridge’ means developing models for the so-called ‘terra incognita,’ a term used to designate the turbulent scales that transition from mesoscale to microscale. This range of scales within atmospheric research deals with the transition from parameterized to resolved turbulence and the improvement of surface boundary-layer parameterizations. The coupling of meteorological and wind engineering flow models and the definition of a formal model evaluation methodology, is a strong area of research for the next generation of wind conditions assessment and wind farm and wind turbine design tools. Some fundamental challenges are identified in order to direct future research in this area.

17 WIND ENERGY↗

Prediction of Cyclic Variability and Knock-Limited Spark Advance (KLSA) in Spark-Ignition (SI) Engine

Engine knock remains one of the major barriers to further improve thermal efficiency of Spark Ignition (SI) engines. Knock can be suppressed by lowering the compression ratio, or retarding the spark ignition timing, however, at an expense of efficiency penalty. SI engine is usually operated at knock-limited spark advance (KLSA) to achieve possibly maximum efficiency with given engine hardware and fuel properties, such as Research Octane Number (RON), Motor Octane Number (MON), and heat of vaporization, etc. Co-optimization of engine design and fuel properties is promising to improve the engine efficiency and predictive CFD models can be used to facilitate this optimization process. However, difficulties exist in predicting KLSA in CFD simulations. First, cyclic variability of SI engine demands that multi-cycle results are required to capture the extreme conditions. Secondly, Mach Courant-Friedrichs-Lewy (CFL) number of 1 is desired to accurately predict the knock intensity (KI), resulting in unaffordable computational cost, especially for multi-cycle simulations. In this study, a new approach to numerically predict KLSA using large Mach CFL number of 50 is proposed. This approach is validated against experimental data for a boosted Direct Injection Spark Ignition (DISI) engine at multiple loads and spark timings. G-equation combustion model coupled with well-mixed chemical kinetic model are used to predict the turbulent flame propagation and end-gas auto-ignition, respectively. Simulations run for 10 consecutive engine cycles at each condition. The results show good agreement between model predictions and experiments in terms of cylinder pressure, combustion phasing and cyclic variation. Engine knock is predicted with early spark ignition timing, indicated by significant pressure wave oscillation and end-gas heat release. Maximum Amplitude of Pressure Oscillation (MAPO) analysis is performed to quantify the KI, and the slope change point in KI extrema is used to indicate the KLSA accurately. Using a smaller Mach CFL number of 5 also results in the same conclusions thus demonstrating that this approach is insensitive to the Mach CFL number. The use of large Mach CFL number allows us to achieve fast turn-around time for multi-cycle engine CFD simulations.

Yue, Zongyu↗

SAM Plug-in Development (Phase I Final Report)

The DOE Office of Nuclear Energy (NE) has created an extensive set of advanced modeling and simulation tools for nuclear engineering analysis. The advanced capabilities of these newer analysis codes require more in-depth training, skills, and knowledge in order to effectively utilize them for the design, analysis, and licensing of advanced nuclear systems and experiments. A high learning curve for inexperienced users may deter organizations from incorporating these tools into their internal processes. This project involved development of a plug-in to the Symbolic Nuclear Analysis Package (SNAP) for the System Analysis Module (SAM) tool. SAM is an advanced system analysis tool for reactor transient analyses being developed at Argonne National Laboratory under the U.S. DOE Office of Nuclear Energy’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. SAM utilizes an object-oriented application framework (MOOSE), and its underlying meshing and finite-element library (libMesh) and linear and non-linear solvers (PETSc), to leverage modern advanced software environments and numerical methods. SNAP provides a highly flexible framework for creating, modifying and documenting input for engineering analysis codes such as SAM as well as extensive functionality for submitting, monitoring, and interacting with the codes through an intuitive graphical user interface (GUI). The common user interface provided by SNAP minimizes the learning curve for engineers starting with a new analysis code and provides an intuitive framework for transitioning between different analysis codes. SNAP provides a powerful but intuitive interface to facilitate access to advanced modeling and simulation tools for inexperienced users. Unlike many “form based” GUI’s, SNAP maps each engineering code’s component input to an internal database which manages all component input parameters along with component interconnections. This level of abstraction permits SNAP to support several advanced capabilities such as renodalization, model validation and consistency checks, embedded documentation, model notebook generation, data ownership and reviewer tracking, and variable assignment for inputs to name a few. SNAP includes a built-in Python interpreter and is interfaced to several commercial and open source packages including CPython, MATLAB/OCTAVE, Microsoft Office, Open Office, and SANDIA’s DAKOTA package which provides Uncertainty Quantification analysis through the SNAP plug-ins. Phase I of this project involved development a fully functional basic SAM plug-in to SNAP. This plug-in provides the ability to import existing models, graphically construct, edit and submit models using SNAP’s extensive functionality.

99 GENERAL AND MISCELLANEOUS↗

Quantum Dynamics at Scale: Ultrafast Control of Emergent Functional Materials

Confluence of extreme-scale quantum dynamics simulations (i.e. quantum@scale) and cutting-edge x-ray free-electron laser experiments are revolutionizing materials science. An archetypal example is the exciting concept of using picosecond light pulses to control emergent material properties on demand in atomically-thin layered materials. This paper describes efforts to scale our quantum molecular dynamics engine toward the United States' first exaflop/s computer, under an Aurora Early Science Program project named "Metascalable layered material genome". Key algorithmic and computing techniques incorporated are: (1) globally-scalable and locally-fast solvers within a linear-scaling divide-conquer-recombine algorithmic framework; (2) algebraic `BLASification' of computational kernels; and (3) data alignment and loop restructuring, along with register and cache blocking, for enhanced vectorization and efficient memory access. The resulting weak-scaling parallel efficiency was 0.93 on 131,072 Intel Xeon Phi cores for a 56.6 million atom (or 169 million valence-electron) system, whereas the various code transformations achieved 5-fold speedup. The optimized simulation engine allowed us for the first time to establish a significant effect of substrate on the dynamics of layered material upon electronic excitation.

Algebraic BLASification↗

H-Canyon Tunnel Inspection System

Cable Analysis: The crawlers is controlled remotely via a long coax cable. In order to make sure we do not damage the cable which could cut our contact (data/power/control), we had to determine the bend radius of it at certain locations. This was done with dimensional analysis in Creo and inputting the information into a MATLAB program. Engineering Drawings: Since many of the crawlers parts, such as the main body, needed to be machined, part drawings were needed to communicate the details necessary for manufacture. Project Overview: The H-Canyon Ventilation Exhaust Tunnel due both to its long service history and exposure to aggressive process offgas chemistry has experienced degradation. In order to allow visual inspection of the condition of the radioactively-contaminated tunnel, a remote crawler was designed to deliver cameras as needed to return high definition video. My involvement included Vendor Searches, Cable Analysis, Thermal Analysis, and Engineering Drawings. Thermal Analysis: In order to see if internal active cooling is needed for the crawler, simplified thermal models were designed to approximate the internal temperatures: Conduction (assumes all heat sources are thermally-coupled to the crawler body); Convection (assumes no heat sources are thermally-bonded to crawler). Going Forward: Continue refining the cable analysis as the crawler model is updated and refined. Use my knowledge gained here to further my skills in engineering.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Calibration of the Diffusivity Predictions of Centipede Using Approximate Bayesian Computation and Applications in Nyx (Engineering Scale) and Xolotl-MARMOT (Meso-Scale) Simulations

Fission gas evolution and release in UO 2 nuclear fuel are important fuel performance metrics and occur in several distinct stages: 1) nucleation, growth and resolution of intra-granular bubbles, 2) diffusion to grain boundaries and 3) nucleation and growth of bubbles at grain boundaries, which eventually form a connected network (percolation) enabling release of gas from grain boundaries through connections to triple junctions, grain edges or free surfaces. The NE-SciDAC project is developing several computational tools to model this problem, which are connected in a hierarchical multi-scale framework. The information transfer in the multi-scale framework is a critical step that, in addition to best-estimates, should include uncertainty quantification. Despite taking a first-principles multi-scale approach, there is a need to perform parameter calibration to ensure consistency with available experimental data. In the present study, uncertainty quantification (UQ) and parameter calibration is demonstrated for one of the lower length scale codes in the multi-scale framework (Centipede) and then the results, including instances of the propagated uncertainties, are used in other codes within the framework, specifically Nyx and Xolotl-MARMOT. We calibrated the model parameters in Centipede, a computer code used to predict diffusivities of uranium (U) and xenon (Xe) in the context of the simulation of fission gas in uranium oxide (UO 2 ) nuclear fuel. The Centipede code depends on 183 parameters, all of which are subject to uncertainty. The three data sets used in our calibration effort are taken from the literature. This data is available as a set of measurements, including measurement errors. Our goal is to calibrate a statistical model that predicts both the value of the measurement and the uncertainty associated with the measurement. We perform a Bayesian calibration of the model parameters using a dedicated approximate Bayesian computation (ABC) likelihood function. To avoid excessive computational costs, we replace the expensive Centipede simulation code by a higher-order surrogate model, constructed using only the 9 most important parameters. These important parameters are identified by a preliminary global sensitivity analysis (GSA) study. Among the important parameters are T0 (the temperature at which UO 2 is perfectly stoichiometric) and Hf_pO2 (the temperature dependence of the oxygen (O) partial pressure) that should be considered as operating conditions to be estimated along with the other parameters. We consider two different cases: one where we define one set of these operating conditions for all data sets, and one where we define distinct operating condition parameters for each data set. The Xe diffusivities predicted by the latter case show distinct features that could not be observed in the former. Next, we use the diffusivity predictions by Centipede as input to Nyx, a reduced order fuel performance code focused on gas behavior alone, in order to estimate quantities associated with inter-granular bubble formation at conditions specified by the experiments. Finally, the diffusivities obtained from the calibrated Centipede runs were used in coupled Xolotl-MARMOT simulations of intra- and inter-granular gas evolution. The results are compared to simulations using the baseline diffusivities from Turnbull et al.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DME-Propane Ignition Delay Time Measurements at Mixing Controlled Compression Ignition Engine-Relevant Conditions

The blend of dimethyl ether (DME, CH 3 OCH 3 ) and propane (C 3 H 8 ) is a potentially renewable fuel mixture that has the potential to replace diesel in compression ignition engines. The combination can potentially reduce particulate and greenhouse gas emissions compared to a conventional diesel engine operating under similar conditions. However, detailed conceptual and simulation studies must be conducted before adopting a new fuel on a compression ignition engine. For these simulations, accurate chemical kinetic models are necessary. However, the validity of chemical kinetic mechanisms in the literature is unknown for mixing controlled compression ignition (MCCI) engine operating conditions. Hence, in this work, we studied the ignition of dimethyl ether (DME) and propane blends in a shock tube at MCCI engine conditions. Ignition delay time (IDT) data was collected behind the reflected shock for DME-propane mixtures for heavy-duty compression ignition (CI) engine parameters. Undiluted experiments spanning temperatures of 700 to 1100 K and pressures of 55 to 84 bar for various blends (100% CH 3 OCH 3 / 0% C 3 H 8, 100% C 3 H 8 / 0% CH 3 OCH 3 , 60% CH 3 OCH 3 / 40% C 3 H 8 ) of DME and propane were combusted in synthetic air (21% O 2 / 79% N 2 ). Some experiments were conducted at higher pressures (90-120 bar) to understand model performance at these conditions. Comparisons of IDT were made with the predictions of recent chemical kinetic mechanisms for DME-propane mixture, including the Aramco3.0, NUIG, and Dames et al. mechanisms. All mechanisms overpredicted IDT compared to experimental values. Sensitivity analysis was conducted with Dames et al. model, and critical reactions sensitive to IDT of DME-propane mixture near 100 bar are outlined.

Mohammed, Zuhayr Pasha↗

Tidal Turbine Benchmarking Project: Stage I - Steady Flow Blind Predictions: Preprint

This paper presents the first blind prediction stage of the Tidal Turbine Benchmarking Project being conducted and funded by the UK's EPSRC and Supergen ORE Hub. In this first stage, only steady flow conditions, at low and elevated turbulence (3.1%) levels, were considered. Prior to the blind prediction stage, a large laboratory scale experiment was conducted in which a highly instrumented 1.6m diameter tidal rotor was towed through a large towing tank in well-defined flow conditions with and without an upstream turbulence grid. Details of the test campaign and rotor design were released as part of this community blind prediction exercise. Participants were invited to use a range of engineering modelling approaches to simulate the performance and loads of the turbine. 26 submissions were received from 12 groups from across academia and industry using solution techniques ranging from blade resolved computational fluid dynamics through actuator line, boundary integral element methods, vortex methods to engineering Blade Element Momentum methods. The comparisons between experiments and blind predictions were extremely positive helping to provide validation and uncertainty estimates for the models, but also validating the experimental tests themselves. The exercise demonstrated that the experimental turbine data provides a robust data set against which researchers and design engineers can test their models and implementations to ensure robustness in their processes, helping to reduce uncertainty and provide increased confidence in engineering processes. Furthermore, the data set provides the basis by which modellers can evaluate and refine approaches.

benchmarking↗

Development of an In-Beam Neutron Flux Monitor for Time of Flight Capture Measurements

Accurate nuclear data are important in several aspects of nuclear engineering, such as reactor simulations, nonproliferation, and criticality safety. One of the nuclear data measurements that requires reduced uncertainties in its related cross-sections is neutron capture. The neutron capture cross-sections have particular deficiencies in the incident neutron energy range from 1 keV to 1 MeV. This is due to the predominance of scattering reactions in this energy region. In order to provide more accurate measurements in this energy region, a new experimental setup has been designed and created at Rensselaer Polytechnic Institute (RPI). This experiment utilizes several C{sub 6}D{sub 6} detectors in a low mass system to minimize the effects of neutron scattering on the experiment. In order to determine the capture yield for the measurements, several additional factors need to be known about the neutron beam including the energy dependence of the neutron flux incident on the sample. A detector made from a thin piece of EJ-204 plastic scintillator was designed to measure the neutron flux, as a function of incident neutron energy, during the capture measurements. (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Focused wave interactions with floating structures: a blind comparative study

The paper presents results from the Collaborative Computational Project in Wave Structure Interaction (CCP-WSI) Blind Test Series 2. Without prior access to the physical data, participants, with numerical methods ranging from low-fidelity linear models to fully non-linear Navier-Stokes (NS) solvers, simulate the interaction between focused wave events and two separate, taut-moored, floating structures: a hemispherical-bottomed cylinder and a cylinder with a moonpool. The ‘blind’ numerical predictions for heave, surge, pitch and mooring load, are compared against physical measurements. Dynamic time warping is used to quantify the predictive capability of participating methods. In general, NS solvers and hybrid methods give more accurate predictions; however, heave amplitude is predicted reasonably well by all methods; and a WEC-Sim implementation, with CFD-informed viscous terms, demonstrates comparable predictive capability to even the stronger NS solvers. Large variations in the solutions are observed (even among similar methods), highlighting a need for standardisation in the numerical modelling of WSI problems.

42 ENGINEERING↗

Eddy Current Probe Parameters Identification Using a Genetic Algorithm and Simultaneous Perturbation Stochastic Approximation

This study tries to identify the coil parameters using numerical methods. The eddy current testing (ECT) is used for evaluation of a crack with the aid of numerical simulations by utilizing the identification of these parameters. In this study, a comparison of the performance of the GA and SPSA algorithms to identify the parameter values of the coil sensors are presented. So, the optimization probe geometry is introduced in the simulation with Three-dimensional finite element simulations (FLUX finite element code) were conducted to obtain eddy current signals resulting from a crack in a plate made of aluminium. The simulation results are compared with experimental measurements for the defect present in a plate.

42 ENGINEERING↗