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At least 631 records · Page 35

Hydrologic Model Data for the East Fork Poplar Creek Watershed Simulated with the Advanced Terrestrial Simulator (ATS): Streamflow and Network Expansion–Contraction Dynamics

This dataset supports hydrologic modeling and stream network expansion–contraction analysis for the East Fork Poplar Creek (EFPC) Watershed in Tennessee. It includes a Jupyter notebook for model setup, model configuration files, simulation outputs, and derived products used to evaluate model performance and investigate stream dynamics under varying hydrologic conditions. The dataset was generated using the Watershed Workflow Python package and the Advanced Terrestrial Simulator (ATS), enabling integrated surface–subsurface hydrologic simulations using a stream-aligned mesh. Outputs include high-resolution time series of streamflow, active network length, water table depth, and related hydrologic variables. Also included are spatially explicit stream persistency indices and classifications of reaches as perennial or non-perennial. These data facilitate reproducibility and support further research on stream intermittency and variability in network extent.The model data archive is organized in following directories:1) model_setup_inputsContains the Watershed Workflow Jupyter notebooks (accessed through any open source code editor), selected input datasets, and resulting ATS input files, including XML files (access through any open source code editor), computational mesh (.exo files can be viewed using Paraview), and meteorological forcing files (.h5 files can be accessed through h5py python package and HDFView open source software). 2) model_outputsIncludes ATS simulation outputs relevant to this study. Time series of spatially integrated or averaged variables (e.g., streamflow, water table depth) are provided as CSV files. Select spatial fields (e.g., ponded depth and water table depth) are saved as pickled Python objects to reduce file size, and can be accessed through pickle package in Python. Key geometry objects from Watershed Workflow—such as the surface mesh and river tree—are also included to support analysis of streamflow persistency and expansion–contraction dynamics. These files can also be accessed through Watershed Workflow Python package.3) model_evaluationProvides observed streamflow time series and field survey-based flow regime classifications used to evaluate model performance. Jupyter notebooks for processing ATS outputs and comparing model predictions with observations to build confidence in the model prior to scientific analysis are also included.4) Q_L_relationshipsContains workflows for generating time series of discharge, active network length, and related hydrologic variables used in the stream network expansion–contraction analysis. Includes routines for delineating baseflow-dominated periods. For each catchment, notebooks and processed data (as pickled DataFrames accessed through Pandas Python package) are provided. 5) figure_scriptsProvides the Jupyter notebooks used to generate the figures presented in the paper.

54 ENVIRONMENTAL SCIENCES↗

SciDAC - Center for Simulation of Wave Interactions with MHD -- General Atomics Support of ORNL Collaboration

The Center for Simulation of Wave Interactions with Magnetohydrodynamics (SWIM) project is dedicated to conduct research on integrated multi-physics simulations. The Integrated Plasma Simulator (IPS) is a framework that was created by the SWIM team. It provides an integration infrastructure for loosely coupled component-based simulations by facilitating services for code execution coordination, computational resource management, data management, and inter-component communication. The IPS framework features improving resource utilization, implementing application-level fault tolerance, and support of the concurrent multi-tasking execution model. The General Atomics (GA) team worked closely with other team members on this contract, and conducted research in the areas of computational code monitoring, meta-data management, interactive visualization, and user interfaces. The original website to monitor SWIM activity was developed in the beginning of the project. Due to the amended requirements, the software was redesigned and a revision of the website was deployed into production in April of 2010. Throughout the duration of this project, the SWIM Monitoring Portal (http://swim.gat.com:8080/) has been a critical production tool for supporting the project's physics goals.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Influence of local capillary trapping on containment system effectiveness

Immobilization of CO 2 injected into deep subsurface storage reservoirs is a critical component of risk assessment for geologic CO 2 storage (GCS). Local capillary trapping (LCT) is a recently established mode of immobilization that arises when CO 2 migrates due to buoyancy through heterogeneous storage reservoirs. This project sought to assess the amount and extent of LCT expected in storage formations under a range of injection conditions, and to confirm the persistence of LCT if the seal overlying the reservoir were to lose its integrity. Numerical simulation using commercial reservoir simulation software was conducted to assess the influence of injection. Laboratory experiments, modeling and numerical simulation were conducted to assess the effect of compromised seal integrity. Bench-scale (0.6 m by 0.6 m by 0.03 m) experiments with surrogate fluids provided the first empirical confirmation of the key concepts underlying LCT: accumulation of buoyant nonwetting phase at above residual saturations beneath capillary barriers in a variety of structures, which remains immobile under normal capillary pressure gradients. Immobilization of above-residual saturations is a critical distinction between LCT and the more familiar “residual saturation trapping.” To estimate the possible extent of LCT in a storage reservoir an algorithm was developed to identify all potential local traps, given the spatial distribution of capillary entry pressure in the reservoir. The algorithm assumes that the driving force for CO 2 migration can be represented as a single value of “critical capillary entry pressure” P c,entry crit , such that cells with capillary entry pressure greater/less than P c,entry crit act as barriers/potential traps during CO 2 migration. At intermediate values of P c,entry crit , the barrier regions become more laterally extensive in the reservoir, approaching a percolation threshold while non-barrier regions remain numerous. The maximum possible extent of LCT thus occurs at P c,entry crit near this threshold. Testing predictions of this simple algorithm against full-physics simulations of buoyancy-driven CO 2 migration support the concept of critical capillary entry pressure. However, further research is needed to determine whether a single value of critical capillary entry pressure always applies and how that value can be determined a priori. Simulations of injection into high-resolution (cells 0.3 m on a side) 2D and 3D heterogeneous domains show two characteristic behaviors. At small gravity numbers (vertical flow velocity much less than horizontal flow velocity) the CO 2 fills local traps as well as regions that would act as local barriers if CO 2 were moving only due to buoyancy. When injection ceases, the CO 2 migrates vertically to establish large saturations within local traps and residual saturation elsewhere. At large gravity numbers, the CO 2 invades a smaller portion of the perforated interval. Within this smaller swept zone the local barriers are not invaded, but local traps are filled to large saturation during injection and remain during post-injection gravity-driven migration. The small gravity number behavior is expected in the region within 100 m of a vertical injection well at anticipated rates of injection for commercial GCS. Simulations of leakage scenarios (through-going region of large permeability imposed in overlying seal) indicate that LCT persists (i.e. CO 2 remains held in a large fraction of the local iv traps) and the persistence is independent of injection rate during storage. Simulations of leakage for the limiting case of CO 2 migrating vertically from an areally extensive emplacement in the lower portion of a reservoir showed similar strong persistence of LCT. This research has two broad implications for GCS. The first is that LCT can retain a significant fraction of the CO 2 stored in a reservoir – above and beyond the residual saturation -- if the overlying seal were to fail. Thus frameworks for risk assessment should be extended to account for LCT. The second implication is that compared to pressure driven flow in reservoirs, CO 2 migration and trapping behave in a qualitatively different manner in heterogeneous reservoirs when buoyancy is the dominant driving force for flow. Thus simulations of GCS that neglect capillary heterogeneity will fail to capture important features of the CO 2 plume. While commercial reservoir simulation software can account for fine scale capillary heterogeneity, it has not been designed to work efficiently with such domains, and no simulators can handle fine-scale resolution throughout the reservoir. A possible way to upscale the migration and trapping is to apply an “effective residual saturation” to coarse-scale grids. While the extent of overall immobilization can be correlated in this way, all coarser grids failed to capture the distance traveled by the migrating CO 2 for large gravity number. Thus it remains unclear how best to account for LCT in the routine simulation work-flow that will be needed for large-scale GCS. Alternatives meriting investigation include streamline methods, reduced-physics proxies (e.g. particle tracking), and biased invasion percolation algorithms, which are based on precisely the capillary heterogeneity essential for LCT.

58 GEOSCIENCES↗

Properties of the Lennard-Jones dimeric fluid in two dimensions: An integral equation study

The thermodynamic and structural properties of the planar soft-sites dumbbell fluid are examined by Monte Carlo simulations and integral equation theory. The dimers are built of two Lennard-Jones segments. Site-site integral equation theory in two dimensions is used to calculate the site-site radial distribution functions for a range of elongations and densities and the results are compared with Monte Carlo simulations. The critical parameters for selected types of dimers were also estimated. We analyze the influence of the bond length on critical point as well as tested correctness of site-site integral equation theory with different closures. The integral equations can be used to predict the phase diagram of dimers whose molecular parameters are known.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Phase Field Simulations of Microstructure Evolution in IN718 using a Surrogate Ni–Fe–Nb Alloy during Laser Powder Bed Fusion

The solidification microstructure in IN718 during additive manufacturing was modeled using phase field simulations. The novelty of the research includes the use of a surrogate Ni–Fe–Nb alloy that has the same equilibrium solidification range as IN718 as the model system for phase field simulations, the integration of the model alloy thermodynamics with the phase field simulations, and the use of high-performance computing tools to perform the simulations with a high enough spatial resolution for realistically capturing the dendrite morphology and the level of microsegregation seen under additive manufacturing conditions. Heat transfer and fluid flow models were used to compute the steady state temperature gradient and an average value of the solid-liquid (s-l) interface velocity that were used as input for the phase field simulations. The simulations show that the solidification morphology is sensitive to the spacing between the columnar structures. Spacing narrower than a critical value results in continued growth of a columnar microstructure, while above a critical value the columnar structure evolves into a columnar dendritic structure through the formation of secondary arms. These results are discussed in terms of the existing columnar to dendritic transition (CDT) theories. The measured interdendritic Nb concentration, the primary and secondary arm spacing is in reasonable agreement with experimental measurements performed on the nickel-base superalloy IN718.

36 MATERIALS SCIENCE↗

Statistical magnetic anomalies from satellite measurements for geologic analysis

The errors of numerically averaging satellite magnetic anomaly data for geologic analysis are investigated using orbital anomaly simulations of crustal magnetic sources by Gauss-Legendre quadrature integration. These simulations suggest that numerical averaging errors constitute small and relatively minor contributions to the total error-budget of higher orbital estimates (approx. 400 km), whereas for lower orbital estimates the error of averaging may increase substantially. Least-squares collocation is also investigated as an alternative to numerical averaging and found to produce substantially more accurate anomaly estimates as the elevation of prediction is decreased towards the crustal sources.

Goyal, H. K.↗

POLARIS: Agent-based modeling framework development and implementation for integrated travel demand and network and operations simulations

Here, we discuss the development of an agent-based modelling software development kit, and the implementation and validation of a model using it that integrates dynamic simulation of travel demand, network supply and network operations. A description is given of the core utilities in the kit: a parallel discrete event engine, interprocess exchange engine, and memory allocator, as well as a number of ancillary utilities: visualization library, database IO library, and scenario manager. The overall framework emphasizes the design goals of: generality, code agility, and high performance. This framework allows the modeling of several aspects of transportation system that are typically done with separate stand-alone software applications, in a high-performance and extensible manner. The issue of integrating such models as dynamic traffic assignment and disaggregate demand models has been a long standing issue for transportation modelers. The integrated approach shows a possible way to resolve this difficulty. The simulation model built from the POLARIS framework is a single, shared-memory process for handling all aspects of the integrated urban simulation. The resulting gains in computational efficiency and performance allow planning models to be extended to include previously separate aspects of the urban system, enhancing the utility of such models from the planning perspective. Lastly, initial tests with case studies involving traffic management center impacts on various network events such as accidents, congestion and weather events, show the potential of the system.

42 ENGINEERING↗

Integrated restructurable flight control system demonstration results

The purpose of this study was to examine the complementary capabilities of several restructurable flight control system (RFCS) concepts through the integration of these technologies into a complete system. Performance issues were addressed through a re-examination of RFCS functional requirements, and through a qualitative analysis of the design issues that, if properly addressed during integration, will lead to the highest possible degree of fault-tolerant performance. Software developed under previous phases of this contract and under NAS1-18004 was modified and integrated into a complete RFCS subroutine for NASA's B-737 simulation. The integration of these modules involved the development of methods for dealing with the mismatch between the outputs of the failure detection module and the input requirements of the automatic control system redesign module. The performance of this demonstration system was examined through extensive simulation trials.

Weiss, Jerold L.↗

The Application of Modeling and Simulation in Capacity Management within the ITIL Framework

Tightly integrating modeling and simulation techniques into Information Technology Infrastructure Library (ITIL) practices can be one of the driving factors behind a successful and cost-effective capacity management effort for any Information Technology (IT) system. ITIL is a best practices framework for managing IT infrastructure, development and operations. Translating ITIL theory into operational reality can be a challenge. This paper aims to highlight how to best integrate modeling and simulation into an ITIL implementation. For cases where the project team initially has difficulty gaining consensus on investing in modeling and simulation resources, a clear definition for M&S implementation into the ITIL framework, specifically its role in supporting Capacity Management, is critical to gaining the support required to garner these resources. This implementation should also help to clearly define M&S support to the overall system mission. This paper will describe the development of an integrated modeling approach and how best to tie M&S to definitive goals for evaluating system capacity and performance requirements. Specifically the paper will discuss best practices for implementing modeling and simulation into ITIL. These practices hinge on implementing integrated M&S methods that 1) encompass at least two or more predictive modeling techniques, 2) complement each one's respective strengths and weaknesses to support the validation of predicted results, and 3) are tied to the system's performance and workload monitoring efforts. How to structure two forms of modeling: statistical and simUlation in the development of "As Is" and "To Be" efforts will be used to exemplify the integrated M&S methods. The paper will show how these methods can better support the project's overall capacity management efforts.

Rahmani, Sonya↗

Simulation of proton-induced energy deposition in integrated circuits

A time-efficient simulation technique was developed for modeling the energy deposition by incident protons in modern integrated circuits. To avoid the excessive computer time required by many proton-effects simulators, a stochastic method was chosen to model the various physical effects responsible for energy deposition by incident protons. Using probability density functions to describe the nuclear reactions responsible for most proton-induced memory upsets, the simulator determines the probability of a proton hit depositing the energy necessary for circuit destabilization. This factor is combined with various circuit parameters to determine the expected error-rate in a given proton environment. An analysis of transient or dose-rate effects is also performed. A comparison to experimental energy-disposition data proves the simulator to be quite accurate for predicting the expected number of events in certain integrated circuits.

Fernald, Kenneth W.↗

Integration of MATLAB Simulink(Registered Trademark) Models with the Vertical Motion Simulator

This paper describes the integration of MATLAB Simulink(Registered TradeMark) models into the Vertical Motion Simulator (VMS) at NASA Ames Research Center. The VMS is a high-fidelity, large motion flight simulator that is capable of simulating a variety of aerospace vehicles. Integrating MATLAB Simulink models into the VMS needed to retain the development flexibility of the MATLAB environment and allow rapid deployment of model changes. The process developed at the VMS was used successfully in a number of recent simulation experiments. This accomplishment demonstrated that the model integrity was preserved, while working within the hard real-time run environment of the VMS architecture, and maintaining the unique flexibility of the VMS to meet diverse research requirements.

Lewis, Emily K.↗

Simulation and Flight Test Capability for Testing Prototype Sense and Avoid System Elements

NASA Langley Research Center (LaRC) and The MITRE Corporation (MITRE) have developed, and successfully demonstrated, an integrated simulation-to-flight capability for evaluating sense and avoid (SAA) system elements. This integrated capability consists of a MITRE developed fast-time computer simulation for evaluating SAA algorithms, and a NASA LaRC surrogate unmanned aircraft system (UAS) equipped to support hardware and software in-the-loop evaluation of SAA system elements (e.g., algorithms, sensors, architecture, communications, autonomous systems), concepts, and procedures. The fast-time computer simulation subjects algorithms to simulated flight encounters/ conditions and generates a fitness report that records strengths, weaknesses, and overall performance. Reviewed algorithms (and their fitness report) are then transferred to NASA LaRC where additional (joint) airworthiness evaluations are performed on the candidate SAA system-element configurations, concepts, and/or procedures of interest; software and hardware components are integrated into the Surrogate UAS research systems; and flight safety and mission planning activities are completed. Onboard the Surrogate UAS, candidate SAA system element configurations, concepts, and/or procedures are subjected to flight evaluations and in-flight performance is monitored. The Surrogate UAS, which can be controlled remotely via generic Ground Station uplink or automatically via onboard systems, operates with a NASA Safety Pilot/Pilot in Command onboard to permit safe operations in mixed airspace with manned aircraft. An end-to-end demonstration of a typical application of the capability was performed in non-exclusionary airspace in October 2011; additional research, development, flight testing, and evaluation efforts using this integrated capability are planned throughout fiscal year 2012 and 2013.

Howell, Charles T.↗

A multisite decomposition of the tensor network path integrals

Tensor network decompositions of path integrals for simulating open quantum systems have recently been proven to be useful. However, these methods scale exponentially with the system size. This makes it challenging to simulate the non-equilibrium dynamics of extended quantum systems coupled with local dissipative environments. In this work, we extend the tensor network path integral (TNPI) framework to efficiently simulate such extended systems. The Feynman–Vernon influence functional is a popular approach used to account for the effect of environments on the dynamics of the system. In order to facilitate the incorporation of the influence functional into a multisite framework (MS-TNPI), we combine a matrix product state (MPS) decomposition of the reduced density tensor of the system along the sites with a corresponding tensor network representation of the time axis to construct an efficient 2D tensor network. The 2D MS-TNPI network, when contracted, yields the time-dependent reduced density tensor of the extended system as an MPS. The algorithm presented is independent of the system Hamiltonian. We outline an iteration scheme to take the simulation beyond the non-Markovian memory introduced by solvents. Applications to spin chains coupled to local harmonic baths are presented; we consider the Ising, XXZ, and Heisenberg models, demonstrating that the presence of local environments can often dissipate the entanglement between the sites. We discuss three factors causing the system to transition from a coherent oscillatory dynamics to a fully incoherent dynamics. The MS-TNPI method is useful for studying a variety of extended quantum systems coupled with solvents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Spatio–Temporal Machine Learning for Regional to Continental Scale Terrestrial Hydrology

Integrated hydrologic models can simulate coupled surface and subsurface processes but are computationally expensive to run at high resolutions over large domains. Here we develop a novel deep learning model to emulate subsurface flows simulated by the integrated ParFlow–CLM model across the contiguous US. We compare convolutional neural networks like ResNet and UNet run autoregressively against our novel architecture called the Forced SpatioTemporal RNN (FSTR). The FSTR model incorporates separate encoding of initial conditions, static parameters, and meteorological forcings, which are fused in a recurrent loop to produce spatiotemporal predictions of groundwater. We evaluate the model architectures on their ability to reproduce 4D pressure heads, water table depths, and surface soil moisture over the contiguous US at 1 km resolution and daily time steps over the course of a full water year. The FSTR model shows superior performance to the baseline models, producing stable simulations that capture both seasonal and event–scale dynamics across a wide array of hydroclimatic regimes. The emulators provide over 1,000× speedup compared to the original physical model, which will enable new capabilities like uncertainty quantification and data assimilation for integrated hydrologic modeling that were not previously possible. Our results demonstrate the promise of using specialized deep learning architectures like FSTR for emulating complex process–based models without sacrificing fidelity.

54 ENVIRONMENTAL SCIENCES↗

A Facility and Architecture for Autonomy Research

Autonomy is a key enabling factor in the advancement of the remote robotic exploration. There is currently a large gap between autonomy software at the research level and software that is ready for insertion into near-term space missions. The Mission Simulation Facility (MST) will bridge this gap by providing a simulation framework and suite of simulation tools to support research in autonomy for remote exploration. This system will allow developers of autonomy software to test their models in a high-fidelity simulation and evaluate their system's performance against a set of integrated, standardized simulations. The Mission Simulation ToolKit (MST) uses a distributed architecture with a communication layer that is built on top of the standardized High Level Architecture (HLA). This architecture enables the use of existing high fidelity models, allows mixing simulation components from various computing platforms and enforces the use of a standardized high-level interface among components. The components needed to achieve a realistic simulation can be grouped into four categories: environment generation (terrain, environmental features), robotic platform behavior (robot dynamics), instrument models (camera/spectrometer/etc.), and data analysis. The MST will provide basic components in these areas but allows users to plug-in easily any refined model by means of a communication protocol. Finally, a description file defines the robot and environment parameters for easy configuration and ensures that all the simulation models share the same information.

Pisanich, Greg↗

ARC integration into the NEAMS Workbench

One of the objectives of the Nuclear Energy Advanced Modeling and Simulation (NEAMS) Integration Product Line (IPL) is to facilitate the deployment of the high-fidelity codes developed within the program. The Workbench initiative was launched in FY-2017 by the IPL to facilitate the transition from conventional tools to high fidelity tools. The Workbench provides a common user interface for model creation, real-time validation, execution, output processing, and visualization for integrated codes.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Documenting the NASA Armstrong Flight Research Center Oblate Earth Simulation Equations of Motion and Integration Algorithm

A desire for more complete documentation of the National Aeronautics and Space Administration (NASA) Armstrong Flight Research Center (AFRC), Edwards, California legacy code used in the core simulation has led to this e ort to fully document the oblate Earth six-degree-of-freedom equations of motion and integration algorithm. The authors of this report have taken much of the earlier work of the simulation engineering group and used it as a jumping-o point for this report. The largest addition this report makes is that each element of the equations of motion is traced back to first principles and at no point is the reader forced to take an equation on faith alone. There are no discoveries of previously unknown principles contained in this report; this report is a collection and presentation of textbook principles. The value of this report is that those textbook principles are herein documented in standard nomenclature that matches the form of the computer code DERIVC. Previous handwritten notes are much of the backbone of this work, however, in almost every area, derivations are explicitly shown to assure the reader that the equations which make up the oblate Earth version of the computer routine, DERIVC, are correct.

integrators↗