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At least 1,765 records · Page 98

Investigation of Navier-Stokes Code Verification and Design Optimization

With rapid progress made in employing computational techniques for various complex Navier-Stokes fluid flow problems, design optimization problems traditionally based on empirical formulations and experiments are now being addressed with the aid of computational fluid dynamics (CFD). To be able to carry out an effective CFD-based optimization study, it is essential that the uncertainty and appropriate confidence limits of the CFD solutions be quantified over the chosen design space. The present dissertation investigates the issues related to code verification, surrogate model-based optimization and sensitivity evaluation. For Navier-Stokes (NS) CFD code verification a least square extrapolation (LSE) method is assessed. This method projects numerically computed NS solutions from multiple, coarser base grids onto a freer grid and improves solution accuracy by minimizing the residual of the discretized NS equations over the projected grid. In this dissertation, the finite volume (FV) formulation is focused on. The interplay between the xi concepts and the outcome of LSE, and the effects of solution gradients and singularities, nonlinear physics, and coupling of flow variables on the effectiveness of LSE are investigated. A CFD-based design optimization of a single element liquid rocket injector is conducted with surrogate models developed using response surface methodology (RSM) based on CFD solutions. The computational model consists of the NS equations, finite rate chemistry, and the k-6 turbulence closure. With the aid of these surrogate models, sensitivity and trade-off analyses are carried out for the injector design whose geometry (hydrogen flow angle, hydrogen and oxygen flow areas and oxygen post tip thickness) is optimized to attain desirable goals in performance (combustion length) and life/survivability (the maximum temperatures on the oxidizer post tip and injector face and a combustion chamber wall temperature). A preliminary multi-objective optimization study is carried out using a geometric mean approach. Following this, sensitivity analyses with the aid of variance-based non-parametric approach and partial correlation coefficients are conducted using data available from surrogate models of the objectives and the multi-objective optima to identify the contribution of the design variables to the objective variability and to analyze the variability of the design variables and the objectives. In summary the present dissertation offers insight into an improved coarse to fine grid extrapolation technique for Navier-Stokes computations and also suggests tools for a designer to conduct design optimization study and related sensitivity analyses for a given design problem.

Vaidyanathan, Rajkumar↗

Hydrogen Cyanide in the Upper Troposphere: GEM-AQ Simulation and Comparison with ACE-FTS Observations

We investigate the spatial and temporal distribution of hydrogen cyanide (HCN) in the upper troposphere through numerical simulations and comparison with observations from a space-based instrument. To perform the simulations, we used the Global Environmental Multiscale Air Quality model (GEM-AQ), which is based on the threedimensional Gobal multiscale model developed by the Meteorological Service of Canada for operational weather forecasting. The model was run for the period 2004-2006 on a 1.5deg x 1.5deg global grid with 28 hybrid vertical levels from the surface up to 10 hPa. Objective analysis data from the Canadian Meteorological Centre were used to update the meteorological fields every 24 h. Fire emission fluxes of gas species were generated by using year-specific inventories of carbon emissions with 8-day temporal resolution from the Global Fire Emission Database (GFED) version 2. The model output is compared with HCN profiles measured by the Atmospheric Chemistry Experiment Fourier Transform Spectrometer (ACE-FTS) instrument onboard the Canadian SCISAT-1 satellite. High values of up to a few ppbv are observed in the tropics in the Southern Hemisphere; the enhancement in HCN volume mixing ratios in the upper troposphere is most prominent in October. Low upper-tropospheric mixing ratios of less than 100 pptv are mostly recorded at middle and high latitudes in the Southern Hemisphere in May-July. Mixing ratios in Northern Hemisphere peak in the boreal summer. The amplitude of the seasonal variation is less pronounced than in the Southern Hemisphere. The comparison with the satellite data shows that in the upper troposphere GEM-AQ perform7s well globally for all seasons, except at northern hi gh and middle latitudes in surnmer, where the model has a large negative bias, and in the tropics in winter and spring, where it exhibits large positive bias. This may reflect inaccurate emissions or possible inaccuracies in the emission profile. The model is able to explain most of the observed variability in the upper troposphere HCN field, includin g the interannual variations in the observed mixing ratio. A complementary comparison with daily total columns of HCN from two middle latitude ground-based stations in Northern Japan for the same simulation period shows that the model captures the observed seasonal variation and also points to an underestimation of model emissions in the Northern Hemisphere in the summer. The estimated average global emission equals 1.3 Tg N/yr. The average atmospheric burden is 0.53 Tg N, and the corresponding lifetime is 4.9 months.

Lupu, A.↗

Ocean-Atmosphere Coupled Model Simulations of Precipitation in the Central Andes

The meridional extent and complex orography of the South American continent contributes to a wide diversity of climate regimes ranging from hyper-arid deserts to tropical rainforests to sub-polar highland regions. In addition, South American meteorology and climate are also made further complicated by ENSO, a powerful coupled ocean-atmosphere phenomenon. Modelling studies in this region have typically resorted to either atmospheric mesoscale or atmosphere-ocean coupled global climate models. The latter offers full physics and high spatial resolution, but it is computationally inefficient typically lack an interactive ocean, whereas the former offers high computational efficiency and ocean-atmosphere coupling, but it lacks adequate spatial and temporal resolution to adequate resolve the complex orography and explicitly simulate precipitation. Explicit simulation of precipitation is vital in the Central Andes where rainfall rates are light (0.5-5 mm hr-1), there is strong seasonality, and most precipitation is associated with weak mesoscale-organized convection. Recent increases in both computational power and model development have led to the advent of coupled ocean-atmosphere mesoscale models for both weather and climate study applications. These modelling systems, while computationally expensive, include two-way ocean-atmosphere coupling, high resolution, and explicit simulation of precipitation. In this study, we use the Coupled Ocean-Atmosphere-Wave-Sediment Transport (COAWST), a fully-coupled mesoscale atmosphere-ocean modeling system. Previous work has shown COAWST to reasonably simulate the entire 2003-2004 wet season (Dec-Feb) as validated against both satellite and model analysis data when ECMWF interim analysis data were used for boundary conditions on a 27-9-km grid configuration (Outer grid extent: 60.4S to 17.7N and 118.6W to 17.4W).

Regional Climate Model↗

Forecasting Space Weather Events for a Neighboring World

Shortly after NASA's Mars Atmosphere and Volatile EvolutioN mission (MAVEN) spacecraft entered Mars' orbit on 21 September 2014, scientists glimpsed the Martian atmosphere's response to a front of solar energetic particles (SEPs) and an associated coronal mass ejection (CME). In response to some solar flares and CMEs, streams of SEPs burst from the solar atmosphere and are further accelerated in the interplanetary medium between the Sun and the planets. These particles deposit their energy and momentum into anything in their path, including the Martian atmosphere and MAVEN particle detectors. MAVEN scientists had been alerted to the likely CME-Mars encounter by a space weather prediction system that had its origins in space weather forecasting for Earth but now forecasts space weather for Earth's neighboring planets. The two Solar Terrestrial Relations Observatory spacecraft and Solar Heliospheric Observatory observed a CME on 26 September, with a trajectory that suggested a Mars intercept. A computer model developed for solar wind prediction, the Wang-Sheeley-Arge-Enlil cone model [e.g., Zheng et al., 2013; Parsons et al., 2011], running in real time at the Community Coordinated Modeling Center (CCMC) located at NASA Goddard since 2006, showed the CME propagating in the direction of Mars (Figure 1). According to MAVEN particle detectors, the disturbance and accompanying SEP enhancement at the leading edge of the CME reached Mars at approximately 17 hours Universal Time on 29 September 2014. Such SEPs may have a profound effect on atmospheric escape - they are believed to be a possible means for driving atmospheric loss. SEPs can cause loss of Mars' upper atmosphere through several loss mechanisms including sputtering of the atmosphere. Sputtering occurs when atoms are ejected from the atmosphere due to impacts with energetic particles.

space weather↗

Using Machine Learning to Develop a Predictive Model for Future Fire Seasons

The deep learning model shows promise for predicting areas of high wildfire potential. Full evaluation of the model performance is ongoing. Currently, the developed deep learning model is better overall at predicting the number of fires over the acres burned. Acres burned is dependent on location, suppression plan, and current conditions. Antecedent conditions are only one piece of the equation. In-season changes are not accounted for. An ignition source is required, which further complicates the model training and prediction.

White, Andrew T.↗

Solar Array Performance Modeling for NASA’s Artemis Missions

NASA’s Artemis exploration campaign includes multiple elements that utilize photovoltaic power generation. Artemis mission profiles feature a variety of events that can limit solar array generation and stress electrical power system (EPS) performance, including eclipses, propulsive or navigational maneuvers which constrain the positioning of the solar arrays, and spiral trajectories with significant radiation degradation. These features make predicting the performance of the power system particularly important and requires accurate modeling of power generation by the solar arrays under a variety of conditions. One of the tools used to predict spacecraft EPS performance is the System Power Analysis for Capability Evaluation (SPACE) model developed at NASA Glenn Research Center. SPACE is used by NASA to model EPS performance for the Orion crew transport vehicle and the Power and Propulsion Element (PPE) of the Gateway space station. This presentation will provide an overview of how SPACE calculates solar array performance, including degradation factors considered and environmental conditions that drive the solar array designs. Additionally, Orion array performance predictions generated by SPACE will be compared to flight data collected during the Artemis I mission.

Photovoltaic↗

Development of a Modeling Framework to Support Control Investigations of Sailcraft Missions A First Cut: ABLE Sailcraft Dynamics Model

Solar Sailcraft, the stuff of dreams of the H.G. Wells generation, is now a rapidly maturing reality. The promise of unlimited propulsive power by harnessing stellar radiation is close to realization. Currently, efforts are underway to build, prototype and test two configurations. These sails are designed to meet a 20m sail requirement, under guidance of the In-Space Propulsion (ISP) technology program office at MSFC. While these sails will not fly , they are the first steps in improving our understanding of the processes and phenomena at work. As part of the New Millennium Program (NMP) the ST9 technology validation mission hopes to launch and fly a solar sail by 2010 or sooner. Though the Solar Sail community has been studying and validating various concepts over two decades, it was not until recent breakthroughs in structural and material technology, has made possible to build sails that could be launched. With real sails that can be tested (albeit under earth conditions), the real task of engineering a viable spacecraft has finally commenced. Since it is not possible to accurately or practically recreate the actual operating conditions of the sailcraft (zero-G, vacuum and extremely low temperatures), much of the work has focused on developing accurate models that can be used to predict behavior in space, and for sails that are 6-10 times the size of currently existing sails. Since these models can be validated only with real test data under "earth" conditions, the process of modeling and the identification of uncertainty due to model assumptions and scope need to be closely considered. Sailcraft models that exist currently, are primarily focused on detailed physical representations at the component level, these are intended to support prototyping efforts. System level models that cut across different sail configurations and control concepts while maintaining a consistent approach are non-existent. Much effort has been focused on the areas of thrust performance, solar radiation prediction, and sail membrane behavior vis-a-vis their reflective geometry, such as wrinkling/folding/furling as it pertains to thrust prediction. A parallel effort has been conducted on developing usable models for developing attitude control systems (ACS), for different sail configurations in different regimes. There has been very little by way of a system wide exploration of the impact of the various control schemes, thrust prediction models for different sail configurations being considered.

Sarathy, Sriprakash↗

AmpSuite

Seismic amplitudes offer vital information about explosion source characteristics, including discrimination and yield estimation. To take advantage of this, we developed an interactive Python package to measure, control data quality, generate broad area propagation models and perform discrimination and estimate yield. Propagation models are essential in support of transportable yield and broad area discrimination. The key benefit of this package will be its ability to continuously integrate data and new techniques. The AmpSuite framework will provide standardized, repeatable, and accurate model generation and characterization routines. The capability is crucial for monitoring agencies tasked with rapid and high-quality seismic event characterization. The AmpSuite software includes a series of independent modules to perform: • Direct Phase Amplitude Measurement and Storage • Coda Envelope Measurement and Storage • Data Quality Control • New Propagation Model Developments • Seismic Discrimination and Analysis • Yield Estimation and supporting utility software. The AmpSuite software provides comprehensive solutions for monitoring agencies seeking to optimize model generation and event analysis within a contemporary Python framework. Stakeholders (AFTAC) have begun to move towards the Python language for scientific analysis as a new workforce emerges.

Alfaro, Richard↗

SME Acceptability Determination For DWPF Process Control (U)

The statistical system described in this document is called the Product Composition Control System (PCCS). K. G. Brown and R. L. Postles were the originators and developers of this system as well as the authors of the first three versions of this technical basis document for PCCS. PCCS has guided acceptability decisions for the processing at the Defense Waste Processing Facility (DWPF) at the Savannah River Site (SRS) since the start of radioactive operations in 1996. The author of this revision to the document gratefully acknowledges the firm technical foundation that Brown and Postles established to support the ongoing successful operation at the DWPF. Their integration of the glass propertycomposition models, developed under the direction of C. M. Jantzen, into a coherent and robust control system, has served the DWPF well over the last 20+ years, even as new challenges, such as the introduction into the DWPF flowsheet of auxiliary streams from the Actinide Removal Process (ARP) and other processes, were met. The purpose of this revision is to provide a technical basis for modifications to PCCS required to support the introduction of waste streams from the Salt Waste Processing Facility (SWPF) into the DWPF flowsheet. An expanded glass composition region is anticipated by the introduction of waste streams from SWPF, and property-composition studies of that glass region have been conducted. Jantzen, once again, directed the development of glass property-composition models applicable for this expanded composition region. The author gratefully acknowledges the technical contributions of C.M. Jantzen leading to the development of these glass property-composition models. The integration of these models into the PCCS constraints necessary to administer future acceptability decisions for the processing at DWPF is provided by this sixth revision of this document.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

University of Tennessee, Knoxville (UTK) contribution to: Deciphering the role of mixed-material deposition and temperature on lithium-coated PFCs in NSTX-U high-performance plasmas: Collaborative UIUC & UTK Proposal (Final Report)

This report describes the final product of model development to decipher the role of mixed material deposition and temperature on lithium-coated PFCs in NSTX-U. The computational modeling approach used to address these specific questions involved a pragmatic multiscale materials modeling framework, with the use of reaction-diffusion based continuum simulations, through modifications to the SDTrimSP code. This pragmatic modeling was supplemented with a few, select parametric ab-initio and molecular dynamics simulations, to investigate the effect of lithium and mixed lithium-carbon-refractory metal chemistry and surface morphology and chemistry on erosion yields and deuterium uptake, including the role of temperature and boronization. The main progress of the project was to develop the major framework and structure of the model, although validated application of the model was limited as a result of the unplanned shutdown and outage of NSTX-U.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Thermo-mechanical characterization of silicone foams

Cellular solids such as elastomeric foams are used in many structural applications to absorb and dissipate energy, due to their light weight (low density) and high energy absorption capability. In this paper we will discuss foams derived from S5370, a silicone foam formulation developed by Dow Corning. In the application presented, the foam is consolidated into a cushion component of constant thickness but variable density. A mechanical material model developed by Lewis (2013), predicts material response, in part, as a function of relative density. To determine the required parameters for this model we have obtained the mechanical response in compression for ambient, cold and hot temperatures. The variable density cushion provided samples sufficient samples so that the effect of sample initial density on the mechanical response could be studied. The mechanical response data showed extreme sensitivity to relative density. We also observed at strains corresponding to 1 MPa a linear relationship between strain and initial density for all temperatures. Samples taken from parts with a history of thermal cycling demonstrated a stiffening response that was a function of temperature, with the trend of more stiffness as temperature increased above ambient. This observation is in agreement with the entropic effects on the thermo-mechanical behavior of silicone polymers. In this study, we present the experimental methods necessary for the development of a material model, the testing protocol, analysis of test data, and a discussion of load (stress) and gap (strain) as a function of sample initial densities and temperatures

36 MATERIALS SCIENCE↗

Using Board Games as Subject Matter for Developing Expertise in Model-Based Systems Engineering

As more organizations transition from traditional document-centric systems engineering to a model-based approach, many are challenged to train their staff in new languages, tools, and methodologies, while managing the expectations of stakeholders and their expected model outcomes. In particular, challenges associated with learning a new modeling language and developing skills in the 'art' of modeling present organizations with formidable obstacles to realizing this transition. This paper hypothesizes that systems engineers may more readily learn how to correctly model with SysML, and develop intuition about the art of modeling and using patterns, if their learning references a commonly and thoroughly-understood subject, such as a board game. This paper presents a case for the use of board games as subject matter for new modelers. It demonstrates the concept with a sample model of Hasbro's popular board game, Monopoly, and discusses the limitations of this approach and potential adaptations that may broaden the applicability of the learned skills to projects. Finally, results from a small feasibility assessment and concepts for more formal study to evaluate the hypothesis are presented.

Model-Based Systems Engineering↗

Using Board Games as Subject Matter for Developing Expertise in Model-Based Systems Engineering

As more organizations transition from traditional document-centric systems engineering to a model-based approach, many are challenged to train their staff in new languages, tools, and methodologies, and manage the expectations of stakeholders and their expected model outcomes. In particular, challenges associated with learning a new modeling language and developing skills in the 'art' of modeling present organizations with formidable obstacles to realizing this transition. This paper hypothesizes that systems engineers may more readily learn how to correctly model with SysML, and develop intuition about the art of modeling and using patterns, if their learning references a commonly and thoroughly-understood subject matter, such as a board game. This paper presents a case for the use of board games as subject matter for new modelers, demonstrates the concept with a sample model of Hasbro's popular board game, Monopoly, and discusses the limitations of this approach and potential adaptations that may broaden the applicability of the learned skills to projects.

Systems Engineering↗

Simulating Marine Stratocumulus Clouds using Lagrangian Superdroplet Method in ERF

This study investigates the simulation of marine stratocumulus (stratoCu) clouds – common in many offshore and coastal wind energy regions - using Lagrangian Superdroplet Method (SDM) implemented in Energy Research and Forecasting (ERF) model. Developed by the Wind Energy Technologies Office (WETO), ERF is a high-resolution atmospheric modeling tool that relies on traditional bulk microphysics schemes. Under an LLNL-led Laboratory Directed Research and Development (LDRD) project, SDM was integrated into ERF to improve cloud process fidelity by explicitly tracking individual “superdroplets”. This enables a realistic representation of the droplet size spectrum, cloud-atmosphere interactions, and potential feedbacks from wind plants on atmospheric flow and cloud structure.

54 ENVIRONMENTAL SCIENCES↗

A Multibody Slosh Analysis for the Lunar Reconnaissance Orbiter

The Lunar Reconnaissance Orbiter (LRO) undergoes a series of thruster maneuvers to attain lunar orbit. The first of the series of lunar orbit insertion (LOI) maneuvers is crucial to the success of the mission. Therefore, it is important to characterize the disturbances acting on the spacecraft during this phase of the mission. This paper focuses on the internal disturbance force caused by fuel slosh and its impact on attitude control. During the first LOI maneuver (LOI-1), approximately 50% of the total fuel mass is used or roughly 25% of the spacecraft s wet mass, during the 38-minute burn. The forces imparted on the spacecraft from the fuel are dependent on the fill level of the two fuel tanks. During LOI-1, the fill level in both tanks varies greatly and thus so does the disturbance level caused by the fuel. It is therefore necessary to account for the time-varying mass properties of the spacecraft and the effects of the varying fuel levels during the entire 38-minute maneuver. Two simulations are developed in Mathworks s Simulink to analyze the fuel slosh effect. The first model, a baseline model, is a rigid body dynamics model where the fuel slosh is not modeled. The second is a multibody model, developed using a multibody dynamics toolbox, where each of the two fuel tanks and the remaining spacecraft body are treated as separate rigid bodies. The simulations are executed in a piece-wise fashion to account for the time-varying mass properties, and to accommodate the multibody toolbox. Disturbances caused by fuel slosh during both lunar and mission orbit insertions will be analyzed through simulation of different dynamics models. Results of the analysis will show the effects of the slosh disturbance on the spacecraft s attitude.

Shah, Neerav↗

Modeling, Performance Assessment, and Nodal Data Analysis of TRISO-Fueled Systems with Shift

This technical report documents several enhancements to the Shift Monte Carlo (MC) code under the US Department of Energy (DOE) Nuclear Energy Advanced Modeling and Simulation (NEAMS) program in fiscal year (FY) 2022. Performance enhancements were added to Shift specifically for tristructural isotropic (TRISO)–fueled reactor systems and guided based on performance analysis in FY 2021. For the pebble performance model developed in previous studies, the runtime improved by ~ 91× compared to the original model and ~ 2× compared to the user-optimized model. Compared to Serpent, Shift is ~ 3× slower if Serpent delta-tracking is enabled but ~ 2× faster when delta-tracking is disabled. The multigroup cross section generation was improved through simplifying tally input definitions, porting several post-processing tally operations from Python scripts into the Shift code base, and accounting for production reactions in the scattering multiplicity. Progress was also made on two emerging capabilities: (1) the development of Titan (a Shift reactor physics user interface) and (2) initial investigation into path-length tallies for computing multigroup scattering matrices.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Development of QSAR models to predict blood-brain barrier permeability

Assessing drug permeability across the blood-brain barrier (BBB) is important when evaluating the abuse potential of new pharmaceuticals as well as developing novel therapeutics that target central nervous system disorders. One of the gold-standard in vivo methods for determining BBB permeability is rodent log BB; however, like most in vivo methods, it is time-consuming and expensive. In the present study, two statistical-based quantitative structure-activity relationship (QSAR) models were developed to predict BBB permeability of drugs based on their chemical structure. The in vivo BBB permeability data were harvested for 921 compounds from publicly available literature, non-proprietary drug approval packages, and University of Washington’s Drug Interaction Database. The cross-validation performance statistics for the BBB models ranged from 82 to 85% in sensitivity and 80–83% in negative predictivity. Additionally, the performance of newly developed models was assessed using an external validation set comprised of 83 chemicals. Overall, performance of individual models ranged from 70 to 75% in sensitivity, 70–72% in negative predictivity, and 78–86% in coverage. The predictive performance was further improved to 93% in coverage by combining predictions across the two software programs. These new models can be rapidly deployed to predict blood brain barrier permeability of pharmaceutical candidates and reduce the use of experimental animals.

59 BASIC BIOLOGICAL SCIENCES↗