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At least 1,423 records · Page 79

Adaptive Sampling Algorithms for Probabilistic Risk Assessment of Nuclear Simulations

Nuclear simulations are often computationally expensive, time-consuming, and high-dimensional with respect to the number of input parameters. Thus exploring the space of all possible simulation outcomes is infeasible using finite computing resources. During simulation-based probabilistic risk analysis, it is important to discover the relationship between a potentially large number of input parameters and the output of a simulation using as few simulation trials as possible. This is a typical context for performing adaptive sampling where a few observations are obtained from the simulation, a surrogate model is built to represent the simulation space, and new samples are selected based on the model constructed. The surrogate model is then updated based on the simulation results of the sampled points. In this way, we attempt to gain the most information possible with a small number of carefully selected sampled points, limiting the number of expensive trials needed to understand features of the simulation space. We analyze the specific use case of identifying the limit surface, i.e., the boundaries in the simulation space between system failure and system success. In this study, we explore several techniques for adaptively sampling the parameter space in order to reconstruct the limit surface. We focus on several adaptive sampling schemes. First, we seek to learn a global model of the entire simulation space using prediction models or neighborhood graphs and extract the limit surface as an iso-surface of the global model. Second, we estimate the limit surface by sampling in the neighborhood of the current estimate based on topological segmentations obtained locally. Our techniques draw inspirations from topological structure known as the Morse-Smale complex. We highlight the advantages and disadvantages of using a global prediction model versus local topological view of the simulation space, comparing several different strategies for adaptive sampling in both contexts. One of the most interesting models we propose attempt to marry the two by obtaining a coarse global representation using prediction models, and a detailed local representation based on topology. Our methods are validated on several analytical test functions as well as a small nuclear simulation dataset modeled after a simplified Pressurized Water Reactor.

97 MATHEMATICS AND COMPUTING↗

Voronoi Meshing to Accurately Capture Geological Structure in Subsurface Simulations

Mesh generation lies at the interface of geological modeling and reservoir simulation. Highly skewed or very small grid cells may be necessary to accurately capture the geometry of geological features, but the resulting poorly scaled or small grid cells can have a substantial negative impact on simulator accuracy and speed. One way to minimize numerical errors caused by gridding complex structures is to simulate on high-quality Voronoi meshes, which reduce grid orientation effects in fluid flow. This work presents a complete methodology to create Voronoi simulation grids, model fluid flow in complex geological systems, and visualize the results. A recently developed Voronoi meshing method that can automatically generate provably good unstructured meshes that conform to input surfaces creating closed volumes is used. Initially an analytical benchmark simulation is presented to validate the quality of the meshes and simulation results and demonstrate the superiority of simulation results using Voronoi meshes over flexed-hexahedral meshes on a domain with internal features. Next, meshes are created for test structures representing four of the most common geological features in the subsurface: layering, pinch-out, an interior lens that tapers to zero thickness on all sides and a fault with offset. Two benchmark flow simulations are run for each test structure. Finally, a realistic geological example for CO 2 injection into an anticline is simulated. Three realizations of the Voronoi mesh at the same resolution are generated for the simulations. Each mesh is highly refined near the injection wells and coarse in areas of less interest. These three meshes are used to model the CO 2 plume in the subsurface as it migrates to the top of the structure and then fills downward. Simulations on the meshes with randomly generated elements inside the input volumes each give slightly different fingering patterns for the viscous-unstable buoyant gas flow. The results presented in this work show a promising step towards utilizing fully automated Voronoi meshing for subsurface flow simulations in complex geology.

58 GEOSCIENCES↗

Application of new simulation algorithms for modeling rf diagnostics of electron clouds

Traveling wave rf diagnostics of electron cloud build-up show promise as a non-destructive technique for measuring plasma density and the efficacy of mitigation techniques. However, it is very difficult to derive an absolute measure of plasma density from experimental measurements for a variety of technical reasons. Detailed numerical simulations are vital in order to understand experimental data, and have successfully modeled build-up. Such simulations are limited in their ability to reproduce experimental data due to the large separation of scales inherent to the problem. Namely, one must resolve both rf frequencies in the GHz range, as well as the plasma modulation frequency of tens of MHz, while running for very long simulations times, on the order of microseconds. The application of new numerical simulation techniques allow us to bridge the simulation scales in this problem and produce spectra that can be directly compared to experiments. The first method is to use a plasma dielectric model to measure plasma-induced phase shifts in the rf wave. The dielectric is modulated at a low frequency, simulating the effects of multiple bunch crossings. This allows simulations to be performed without kinetic particles representing the plasma, which both speeds up the simulations as well as reduces numerical noise from interpolation of particle charge and currents onto the computational grid. Secondly we utilize a port boundary condition model to simultaneously absorb rf at the simulation boundaries, and to launch the rf into the simulation. This method improves the accuracy of simulations by restricting rf frequencies better than adding an external (finite) current source to drive rf, and absorbing layers at the boundaries. We also explore the effects of non-uniform plasma densities on the simulated spectra.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A gradient based method for modeling baryons and matter in halos of fast simulations

Fast N-body PM simulations with a small number of time steps such as FastPM or COLA have been remarkably successful in modeling the galaxy statistics, but their lack of small scale force resolution and long time steps cannot give accurate halo matter profiles or matter power spectrum. High resolution N-body simulations can improve on this, but lack baryonic effects, which can only be properly included in hydro simulations. Here we present a scheme to calibrate the fast simulations to mimic the precision of the hydrodynamic simulations or high resolution N-body simulations. The scheme is based on a gradient descent of either effective gravitational potential, which mimics the short range force, or of effective enthalpy, which mimics gas hydrodynamics and feedback. The scheme is fast and differentiable, and can be incorporated as a post-processing step into any simulation. It gives very good results for the matter power spectrum for several of the baryonic feedback and dark matter simulations, and also gives improved dark matter halo profiles. The scheme is even able to find the large subhalos, and increase the correlation coefficient between the fast simulations and the high resolution N-body or hydro simulations. It can also be used to add baryonic effects to the high resolution N-body simulations. While the method has free parameters that can be calibrated on various simulations, they can also be viewed as astrophysical nuisance parameters describing baryonic effects that can be marginalized over during the data analysis. In this view these parameters can be viewed as an efficient parametrization of baryonic effects.

79 ASTRONOMY AND ASTROPHYSICS↗

SU-D-9A-03: STAMP: Simulator for Texture Analysis in MRI/PET

Purpose: To develop a convenient simulation platform to facilitate PET/MR image analysis with the prospect of gaining a better understanding of the influence of acquisition parameters on PET/MRI textural features. The simulation platform is demonstrated by showing textural variations of a representative case study using different image acquisition parameters. Methods: The simulation platform is composed of MRI simulators JEMRIS and SIMRI to achieve simulations of customized MRI sequences on sample tumor models. The PET simulator GATE is used to get 2D and 3D Monte Carlo acquisitions of voxelized PET sources using a phantom geometry and a customized scanner architecture. The platform incorporates a series of graphical user interfaces written in Matlab. Two GUIs are used to facilitate communication with the simulation executables installed on a computer cluster. A third GUI is used to collect and display the clinical and simulated images, as well as fused PET/MRI images, and perform computation of textural features.To illustrate the capabilities of this platform, one FDG-PET and T1-weighted (T1w) digitized tumor models were generated from clinical images of a soft-tissue sarcoma patient. Numerically simulated MR images were produced using 3 different echo times (TE) and 5 different repetition times (TR). PET 2D images were simulated using an OSEM algorithm with 1 to 32 iterations and a post-reconstruction Gaussian filter of 0, 2, 4 or 6 mm width. Results: STAMP was successfully used to produce numerically simulated FDG-PET and MRI images, and to calculate their corresponding textures. Three typical textures (GLCM-Contrast, GLSZM-ZSV and NGTDM-Coarseness) were found to vary by a range of 45% on average compared to reference scanning conditions in the case of FDG-PET, and by a range of 40% in the case of T1w MRI. Conclusion: We have successfully developed a Matlab-based simulation platform to facilitate PET/MRI texture image analysis for outcome prediction.

60 APPLIED LIFE SCIENCES↗

Wide-range fission chambers signal simulator - 373

Fission chambers (FC) signal simulators are a useful means to test neutron flux instrumentation channels of the reactors control and protection systems (CPS). Well-known signal simulators do not provide a secondary equipment testing in all modes of measurement. A wide range simulator that simulates a full range of FC signal changes (pulse, fluctuation, current) was designed. The simulator takes into account the statistical nature of neutrons detection in the FC, including the shape of the pulse and the spectrum of the pulse amplitude distribution. The simulator uses the principle of mathematical simulation of the fission chambers signal with realtime calculations using the FPGA. The wide-range simulator reproduces a FC signal in the range of ten orders without switching ranges or playback modes while ensuring very good linearity. It allows to generate both static and dynamic test signals such as: stair-step, linearly and exponential varying signals, exponential varying signals with a linearly changing period or a signal change simulating the response of the nuclear reactor power to a given reactivity response. Continuity of reproduced signals and the ability to playback dynamic effects makes it possible the simulator using to check the algorithms of cross-linking of measuring paths, reactivity and period measuring tools and to monitor the operation of interlocking and alarm CPS functions. This article discusses the simulator's software and hardware, its features and specifications, user interface and example of the simulator using to check the neutron flux monitoring channels. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

An ultrahigh-resolution E3SM land model simulation framework and its first application to the Seward Peninsula in Alaska

The availability of supercomputers and state-of-science datasets has made it possible to conduct large-scale land simulations at an ultrahigh-resolution. This study reported a computational framework for land surface simulation using the E3SM land model (ELM) at an unprecedented resolution (1 km x 1 km gridcell). The ultrahigh-resolution ELM (uELM) simulation framework includes three parts: (1) high-resolution atmospheric forcing and surface properties dataset generation, (2) massive gridcell-based simulation, and (3) large-scale simulation results analysis. Additionally, we implemented the uELM simulation framework and completed the first 1 km x 1 km terrestrial ecosystem simulation (from 1850 to 2014) over the Seward Peninsula in Alaska (78,000 km 2 ). The experiment contained two phases: a spin-up simulation and a transient simulation, and required five weeks of calculations using 320 cores in a 44-node Linux HPC computer. It created approximately 1.3 TB of data from the transient simulation alone (1850 - present). We selected sample results (monthly and daily simulation outputs) to illustrate the temporal and spatial variations of several variables in high-latitude Arctic ecosystems’ water, energy, and carbon cycles. At last, we summarized the lessons learned and proposed new developments for full-scale uELM simulations over the entire North American continent (approximately 22,000,000 km 2 ).

54 ENVIRONMENTAL SCIENCES↗

Direct Dynamics Simulation of Dissociation of the [CH3--I--OH]- Ion-Molecule Complex

Direct dynamics simulations were used to study dissociation of the [CH3--I--OH]- complex ion, which was observed in a previous study of the OH- + CH3I gas phase reaction (J. Phys. Chem. A 2013, 117, 7162). Restricted B97-1 simulations were performed to study dissociation at 65, 75 and 100 kcal/mol and the [CH3--I--OH]- ion dissociated exponentially, in accord with RRKM theory. For these energies the major dissociation products are CH3I + OH-, CH2I- + H2O, and CH3OH + I-. Unrestricted B97-1 and restricted and unrestricted CAM-B3LYP simulations were also performed at 100 kcal/mol to compare with the restricted B97-1 results. The {CH3I + OH-}:{CH2I- + H2O}:{CH3OH + I-} product ratio is 0.72 : 0.15 : 0.13, 0.81 : 0.05 : 0.14, 0.71 : 0.19 : 0.10 , and 0.83 : 0.13 : 0.04 for the restricted B97-1, unrestricted B97-1, restricted CAM-B3LYP, and unrestricted CAM-B3LYP simulations, respectively. Other product channels found are CH2 + I- + H2O, CH2 + I-(H2O), CH4 + IO-, CH3 - + IOH, and CH3 + IOH-. The CH3 - + IOH singlet products are only given by the restricted B97-1 simulation and the lower energy CH3 + IOH- doublet products are only formed by the unrestricted B97-1 simulation. Also studied were the direct and indirect atomic-level mechanisms for forming CH3I + OH-, CH2I- + H2O, and CH3OH + I-. The majority of CH3I + OH- were formed through a direct mechanism. For both CH2I- + H2O and CH3OH + I-, the direct mechanism is overall more important than the indirect mechanisms, with the round-about like mechanism the most important indirect mechanism at high excitation energies. Mechanism comparisons between the B97-1 and CAM-B3LYP simulations showed that formation of the CH3OH---I- complex is favored for the B97-1 simulations, while formation of the HO----HCH2I complex is favored for the CAM-B3LYP simulations. The unrestricted simulations give a higher percentage of indirect mechanisms than the restricted simulations. The possible role of the self-interaction error in the simulations is also discussed. The work presented here gives a detailed picture of the [CH3--I--OH]- dissociation dynamics, and is very important for unraveling the role of [CH3--I--OH]- in the dynamics of the OH-(H2O)n=1,2 + CH3I reactions.

Environmental Molecular Sciences Laboratory↗

Simulation Credibility: Advances in Verification, Validation, and Uncertainty Quantification

Decision makers and other users of simulations need to know quantified simulation credibility to make simulation-based critical decisions and effectively use simulations, respectively. The credibility of a simulation is quantified by its accuracy in terms of uncertainty, and the responsibility of establishing credibility lies with the creator of the simulation. In this volume, we present some state-of-the-art philosophies, principles, and frameworks. The contributing authors involved in this publication have been dedicated to advancing simulation credibility. They detail and provide examples of key advances over the last 10 years in the processes used to quantify simulation credibility: verification, validation, and uncertainty quantification. The philosophies and assessment methods presented here are anticipated to be useful to other technical communities conducting continuum physics-based simulations; for example, issues related to the establishment of simulation credibility in the discipline of propulsion are discussed. We envision that simulation creators will find this volume very useful to guide and assist them in quantitatively conveying the credibility of their simulations.

Simulation Credibility↗

Modeling and Simulation of Phased Array Antennas to Support Next-Generation Satellite Design

Developing enhanced simulation capabilities has become a significant priority for the Space Communications and Navigation (SCaN) project at NASA as new space communications technologies are proposed to replace aging NASA communications assets, such as the Tracking and Data Relay Satellite System (TDRSS). When developing the architecture for these new space communications assets, it is important to develop updated modeling and simulation methodologies, such that competing architectures can be weighed against one another and the optimal path forward can be determined. There have been many simulation tools developed here at NASA for the simulation of single RF link budgets, or for the modeling and simulation of an entire network of spacecraft and their supporting SCaN network elements. However, the modeling capabilities are never fully complete and as new technologies are proposed, gaps are identified. One such gap is the ability to rapidly develop high fidelity simulation models of electronically steerable phased array systems. As future relay satellite architectures are proposed that include optical communications links, electronically steerable antennas will become more desirable due to the reduction in platform vibration introduced by mechanically steerable devices. In this research, we investigate how modeling of these antennas can be introduced into out overall simulation and modeling structure. The ultimate goal of this research is two-fold. First, to enable NASA engineers to model various proposed simulation architectures and determine which proposed architecture meets the given architectural requirements. Second, given a set of communications link requirements for a proposed satellite architecture, determine the optimal configuration for a phased array antenna. There is a variety of tools available that can be used to model phased array antennas. To meet our stated goals, the first objective of this research is to compare the subset of tools available to us, trading-off modeling fidelity of the tool with simulation performance. When comparing several proposed architectures, higher- fidelity modeling may be desirable, however, when iterating a proposed set of communication link requirements across ranges of phased array configuration parameters, the practicality of performance becomes a significant requirement. In either case, a minimum simulation - fidelity must be met, regardless of performance considerations, which will be discussed in this research. Given a suitable set of phased array modeling tools, this research then focuses on integration with current SCaN modeling and simulation tools. While properly modeling the antenna elements of a system are vital, this is only a small part of the end-to-end communication path between a satellite and the supporting ground station and/or relay satellite assets. To properly model a proposed simulation architecture, this toolset must be integrated with other commercial and government development tools, such that the overall architecture can be examined in terms of communications, reliability, and cost. In this research, integration with previously developed communication tools is investigated.

Phased Array↗

Characterization of NUW-LHT-5m, A Lunar Highland Simulant

A new simulant of the lunar highlands regolith, NUW-LHT-5M, was designed by NASA and manufactured by Washington Mills. The simulant was based on Apollo 16 data and is a member of the NU-LHT-series. NASA’s Marshall Space Flight Center and Johnson Space Center have already purchased 3 metric tons of the simulant for advanced engineering work. In support of engineering uses of the simulant, we provided measurements of the simulant including: mineral abundance and composition, liberation, X-ray fluorescence (XRF), ferrous iron, carbon, sulfur, 60 element inductively coupled plasma (ICP), loss on ignition, particle size, both 2D and 3D particle shape, specific surface area, shear, cohesion, internal friction, helium pycnometry, minimum index density, tap density, magnetic susceptibility, cryogenic and high temperature permittivity, visible and near-infrared (VNIR) and middle infra-red spectroscopy (MIR), differential scanning calorimetry (DSC), viscosity, thermal diffusivity, thermal conductivity, thermal gravimetric analysis (TGA), evolved gas analysis (EGA), and spark sintering. For the crystalline components the design of the simulant called for two rocks from the Stillwater Complex, Montana: 17.6 wt% norite, 37.7% anorthosite, and 4.7 wt% olivine from an unspecified commercial source. The other 40% of the simulant was a high calcium (An100), vesicular glass that Washington Mills made specifically for the simulant. Fabrication and quality control processes for both the glass and the simulant are described. Importantly, most of the graphs and tables presented herein provide values for both the new simulant and data for the older NASA mare simulant, JSC-1A. Finally, we discussed the current limitations of NUW-LT-5M and most other lunar regolith simulants to replicate the lunar material.

lunar regolith simulant↗

Risk Reduction and Training using Simulation Based Tools - 12180

Process Modeling and Simulation (M and S) has been used for many years in manufacturing and similar domains, as part of an industrial engineer's tool box. Traditionally, however, this technique has been employed in small, isolated projects where models were created from scratch, often making it time and cost prohibitive. Newport News Shipbuilding (NNS) has recognized the value of this predictive technique and what it offers in terms of risk reduction, cost avoidance and on-schedule performance of highly complex work. To facilitate implementation, NNS has been maturing a process and the software to rapidly deploy and reuse M and S based decision support tools in a variety of environments. Some examples of successful applications by NNS of this technique in the nuclear domain are a reactor refueling simulation based tool, a fuel handling facility simulation based tool and a tool for dynamic radiation exposure tracking. The next generation of M and S applications include expanding simulation based tools into immersive and interactive training. The applications discussed here take a tool box approach to creating simulation based decision support tools for maximum utility and return on investment. This approach involves creating a collection of simulation tools that can be used individually or integrated together for a larger application. The refueling simulation integrates with the fuel handling facility simulation to understand every aspect and dependency of the fuel handling evolutions. This approach translates nicely to other complex domains where real system experimentation is not feasible, such as nuclear fuel lifecycle and waste management. Similar concepts can also be applied to different types of simulation techniques. For example, a process simulation of liquid waste operations may be useful to streamline and plan operations, while a chemical model of the liquid waste composition is an important tool for making decisions with respect to waste disposition. Integrating these tools into a larger virtual system provides a tool for making larger strategic decisions. The key to integrating and creating these virtual environments is the software and the process used to build them. Although important steps in the direction of using simulation based tools for nuclear domain, the applications described here represent only a small cross section of possible benefits. The next generation of applications will, likely, focus on situational awareness and adaptive planning. Situational awareness refers to the ability to visualize in real time the state of operations. Some useful tools in this area are Geographic Information Systems (GIS), which help monitor and analyze geographically referenced information. Combined with such situational awareness capability, simulation tools can serve as the platform for adaptive planning tools. These are the tools that allow the decision maker to react to the changing environment in real time by synthesizing massive amounts of data into easily understood information. For the nuclear domains, this may mean creation of Virtual Nuclear Systems, from Virtual Waste Processing Plants to Virtual Nuclear Reactors. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Parallel Simulation of Quantum Networks with Distributed Quantum State Management

Quantum network simulators offer the opportunity to cost-efficiently investigate potential avenues for building networks that scale with the number of users, communication distance, and application demands by simulating alternative hardware designs and control protocols. Several quantum network simulators have been recently developed with these goals in mind. As the size of the simulated networks increases, however, sequential execution becomes time-consuming. Parallel execution presents a suitable method for scalable simulations of large-scale quantum networks, but the unique attributes of quantum information create unexpected challenges. In this work, we identify requirements for parallel simulation of quantum networks and develop the first parallel discrete-event quantum network simulator by modifying the existing serial simulator SeQUeNCe. Our contributions include the design and development of a quantum state manager (QSM) that maintains shared quantum information distributed across multiple processes. We also optimize our parallel code by minimizing the overhead of the QSM and decreasing the amount of synchronization needed among processes. Using these techniques, we observe a speedup of 2 to 25 times when simulating a 1,024-node linear network topology using 2 to 128 processes. We also observe an efficiency greater than 0.5 for up to 32 processes in a linear network topology of the same size and with the same workload. We repeat this evaluation with a randomized workload on a caveman network. We also introduce several methods for partitioning networks by mapping them to different parallel simulation processes. We have released the parallel SeQUeNCe simulator as an open source tool alongside the existing sequential version.

97 MATHEMATICS AND COMPUTING↗

ASPIRES: Airport Shuttle Planning and Improved Routing Event-driven Simulation

Most of the existing traffic simulation packages require significant calibration work to be able to reflect reality. To evaluate special operations including emerging technologies, a microscopic simulation that tracks detailed interactions of all the elements of the traffic systems is usually needed. This type of simulation is usually computationally demanding. This work developed an Airport Shuttle Planning and Improved Routing Event-driven Simulation (ASPIRES) package to simulate and evaluate current, potential, and future airport shuttle operations. Here, the simulation was driven by data and thus did not require much calibration effort. The discrete-event simulation nature of ASPIRES makes the simulation computationally efficient. Simulating 1 day of shuttle operations takes less than 2s. The study site of this work is the Dallas/Fort Worth International Airport in the U.S. The shuttle service that connects the five terminals of the airport and the rental car center was studied. Travel times, dwell times, and passenger arrivals were simulated using empirical distributions derived mainly from real data to capture the stochastic nature of the rental car center shuttle bus operations. Data on bus miles traveled, bus energy consumption, passenger wait times, and passengers left behind at stops were collected to study the trade-off between energy use and passenger experience. Electric bus and on-demand bus operations were also included. The simulation outputs can show passengers statistics at terminals, shuttles statistics, and charging station statistics. ASPIRES cannot be used to model a generic traffic system but is well-suited for fleet systems.

33 ADVANCED PROPULSION SYSTEMS↗

Performance evaluation of an agent-based occupancy simulation model

Occupancy is an important factor driving building performance. Static and homogeneous occupant schedules, commonly used in building performance simulation, contribute to issues such as performance gaps between simulated and measured energy use in buildings. Stochastic occupancy models have been recently developed and applied to better represent spatial and temporal diversity of occupants in buildings. However, there is very limited evaluation of the usability and accuracy of these models. This study used measured occupancy data from a real office building to evaluate the performance of an agent-based occupancy simulation model: the Occupancy Simulator. The occupancy patterns of various occupant types were first derived from the measured occupant schedule data using statistical analysis. Then the performance of the simulation model was evaluated and verified based on (1) whether the distribution of observed occupancy behavior patterns follows the theoretical ones included in the Occupancy Simulator, and (2) whether the simulator can reproduce a variety of occupancy patterns accurately. Results demonstrated the feasibility of applying the Occupancy Simulator to simulate a range of occupancy presence and movement behaviors for regular types of occupants in office buildings, and to generate stochastic occupant schedules at the room and individual occupant levels for building performance simulation. For future work, model validation is recommended, which includes collecting and using detailed interval occupancy data of all spaces in an office building to validate the simulated occupant schedules from the Occupancy Simulator.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Assessment of a Detailed Biomass Pyrolysis Kinetic Scheme in Multiscale Simulations of a Single-Particle Pyrolyzer and a Pilot-Scale Entrained Flow Pyrolyzer

A detailed biomass pyrolysis kinetic scheme was assessed in the multiscale simulations of a single-particle pyrolyzer with slow pyrolysis and a pilot-scale entrained flow pyrolyzer with fast pyrolysis. The detailed kinetic scheme of biomass pyrolysis developed by the CRECK group consists of 32 reactions and 58 species. A multiscale simulation model was developed, where the CRECK kinetics was employed to simulate biomass pyrolysis reactions, a one-dimensional particle model was utilized to simulate the intraparticle transport phenomena, and the particle-in-cell (PIC) model was employed to simulate the hydrodynamics. The multiscale model was first applied to simulate a single-particle pyrolysis experiment. The simulation with nonisothermal particles matched the experimental data better than the simulation with isothermal particles. Then the multiscale model was applied to simulate the pilot-scale entrained flow pyrolyzer. In this case, the simulation with isothermal particles matched the experimental data better than the simulation with nonisothermal particles. The reason for this difference might be that the kinetics itself already partially included the intraparticle transport effect as it was fitted using both TGA data (slow pyrolysis of small size biomass) and fluidized bed data (fast pyrolysis of relatively large size biomass). This study provides some insights into biomass pyrolysis kinetics development and pyrolyzer multiscale simulation for a future study.

09 BIOMASS FUELS↗

A comparison of explosion energies for simulated and observed core-collapse supernovae

ABSTRACT There are now 20 multidimensional core-collapse supernova (CCSN) simulations that explode. However, these simulations have explosion energies that are a few times 1050 erg, not 1051 erg. In this manuscript, we compare the inferred explosion energies of these simulations and observations of 40 SN IIP. Assuming a lognormal distribution, the mean explosion energy for these observations is $\mu _{\rm obs} = -0.23^{+0.08}_{-0.12}$ ($\log _{10}(E/10^{51}\, {\rm erg})$) and the width is $\sigma _{\rm obs} = 0.52^{+0.09}_{-0.08}$. Only three CCSN codes have sufficient simulations to compare with observations: CHIMERA, CoCoNuT-FMT, and FORNAX. Currently, FORNAX has the largest sample of simulations. The two-dimensional FORNAX simulations show a correlation between explosion energy and progenitor mass, ranging from linear to quadratic, Esim ∝ M1 − 2; this correlation is consistent with inferences from observations. In addition, we infer the ratio of the observed-to-simulated explosion energies, Δ = log10(Eobs/Esim). For the CHIMERA set, Δ = 0.25 ± 0.07; for CoCoNuT-FMT, Δ = 0.49 ± 0.07; for FORNAX2D, Δ = 0.62 ± 0.06, and for FORNAX3D, Δ = 0.85 ± 0.07. On average, the simulations are less energetic than inferred energies from observations (Δ ≈ 0.6), but we also note that the variation among the simulations [max(Δ) − min(Δ) ≈ 0.6] is as large as this average offset. This suggests that further improvements to the simulations could resolve the discrepancy. Furthermore, both the simulations and observations are heavily biased. In this preliminary comparison, we model these biases, but to more reliably compare the explosion energies, we recommend strategies to unbias both the simulations and observations.

79 ASTRONOMY AND ASTROPHYSICS↗

Coupling Visualization, Simulation, and Deep Learning for Ensemble Steering of Complex Energy Models

We describe a new framework that allows users to explore and steer ensembles of energy systems simulations by coupling multiple energy models and interactive visualization through a dataflow API. Through the visual interface, users can interactively explore complex parameter spaces populated by hundreds, or thousands, of simulation runs and interactively spawn new simulations to 'fill in' regions of interest in the parameter space. The computational and visualization capabilities reside within a general-purpose dataflow architecture for connecting producers of multidimensional timeseries data, such as energy simulations, with consumers of that data, whether they be visualizations, statistical analyses, or datastores. Fast computation and agile dataflow can enhance the engagement with energy simulations, allowing users to populate the parameter space in real time. However, many energy simulations are far too slow to provide an interactive response. To support interactive feedback, we are creating reduced-form simulations developed through machine learning techniques, which provide statistically sound estimates of the results of the full simulations at a fraction of the computational cost. These reduced-form simulations have response times on the order of seconds, suitable for real-time human-in-the-loop design and analysis. The approximation methods apply to a wide range of computational models, including supply-chain models, electric power grid simulations, and building models. Such reduced-form representations do not replace or re-implement existing simulations, but instead supplement them by enabling rapid scenario design and exploration for large ensembles of simulations. The improved understanding, facilitated by the reduced-form models, dataflow API, and visualization tools, allows researchers to better allocate computational resources to capture informative relationships within the system as well as provide a low-cost method for validating and quality-checking large-scale modeling efforts.

97 MATHEMATICS AND COMPUTING↗