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NASA NTRS2002

Global Modeling Activities and NAME

In this talk I will review global modeling activities in the United States that could contribute to and benefit from NAME activities. I will present some preliminary results from several global atmospheric general circulation model simulation experiments for the initial NAME model intercomparison project period of May-Oct 1990. These include an ensemble of medium resolution simulations, and a high resolution (one half degree) simulation. I will also discuss possible high resolution global data assimilation experiments that could be used to help validate the model simulations and assimilate planned NAME observations.

Schubert, Siegfried↗

NASA NTRS2002

Global Modeling Activities and NAME

Schubert, Siegfried↗

DOE OSTI2023

A reduced-model (nSOLT) simulation of neutral recycling effects on plasma turbulence in the divertor region of MAST-U

The 2D scrape-off-layer turbulence code (nSOLT), which includes 1D kinetic neutral–plasma interactions, is applied to study effects of neutral recycling on plasma turbulence for parameters illustrative of the MAST-U divertor region. Neutral recycling is modeled by injecting a fraction of the parallel plasma flux to the divertor back into the simulation domain as a source of Franck–Condon-distributed neutrals. Stationary sources, concentrated at the magnetic separatrix, model plasma streaming into the divertor region from the upstream scrape-off-layer and sustain plasma turbulence absent neutral recycling. Starting from one such no-neutrals equilibrium, we initiate recycling in a numerical experiment designed to diagnose and identify the effects of various neutral–plasma interactions on the divertor plasma, divertor turbulence, and plasma exhaust. The onset of recycling triggers an initial burst of enhanced cross field plasma transport that is quelled by ionization cooling and charge–exchange (CX) friction, with growing neutral pressure, leading to a quiescent, turbulence-free state. Diagnosis of this transient burst reveals that (1) the sudden increase in plasma density due to ionization dominates the onset of the burst, (2) electron cooling due to ionization increases collisionality and disconnects blob filaments from the sheath, and (3) CX friction drives tripole polarization of a blob that can dominate the curvature-driven dipole polarization, leading to the stagnation of blob propagation and reduced radial turbulent transport. It is shown that CX friction is negligible compared to sheath physics in determining equilibrium mean flow shearing rates, for parameters considered herein (specifically a short connection length to the divertor target), while it can significantly reduce interchange-instability growth rates.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

DEPLOYING FAST CHARGING INFRASTRUCTURE FOR ELECTRIC VEHICLES IN URBAN NETWORKS: AN ACTIVITY-BASED APPROACH

This paper explores an important problem under the domain of network modeling, the optimal configuration of charging infrastructure for electric vehicles (EVs) in urban networks considering EV users' daily activities and charging behavior. This study proposes a charging behavior simulation model considering different initial state of charge (SOC), travel distance, availability of home chargers, and the daily schedule of trips for each traveler. The proposed charging behavior simulation model examines the complete chain of trips for EV users as well as the interdependency of trips traveled by each driver. The problem of finding the optimum charging configuration is then formulated as a mixed-integer nonlinear programming problem that considers the dynamics of travel time and travel distance, the interdependency of trips made by each driver, limited range of EVs, remaining battery capacity for recharging, waiting time in queue, and detour to access a charging station. This problem is solved using a metaheuristic approach for a large-scale case network. A series of examples are presented to demonstrate the model efficacy and explore the impact of energy consumption on the final SOC and the optimum charging infrastructure.

Chain of Trips↗

NASA NTRS2012

Assessing Confidence in Pliocene Sea Surface Temperatures to Evaluate Predictive Models

In light of mounting empirical evidence that planetary warming is well underway, the climate research community looks to palaeoclimate research for a ground-truthing measure with which to test the accuracy of future climate simulations. Model experiments that attempt to simulate climates of the past serve to identify both similarities and differences between two climate states and, when compared with simulations run by other models and with geological data, to identify model-specific biases. Uncertainties associated with both the data and the models must be considered in such an exercise. The most recent period of sustained global warmth similar to what is projected for the near future occurred about 3.33.0 million years ago, during the Pliocene epoch. Here, we present Pliocene sea surface temperature data, newly characterized in terms of level of confidence, along with initial experimental results from four climate models. We conclude that, in terms of sea surface temperature, models are in good agreement with estimates of Pliocene sea surface temperature in most regions except the North Atlantic. Our analysis indicates that the discrepancy between the Pliocene proxy data and model simulations in the mid-latitudes of the North Atlantic, where models underestimate warming shown by our highest-confidence data, may provide a new perspective and insight into the predictive abilities of these models in simulating a past warm interval in Earth history.This is important because the Pliocene has a number of parallels to present predictions of late twenty-first century climate.

simulation↗

NASA NTRS1997

Comparative Model Evaluation Studies of Biogenic Trace Gas Fluxes in Tropical Forests

Simulation modeling can play a number of important roles in large-scale ecosystem studies, including synthesis of patterns and changes in carbon and nutrient cycling dynamics, scaling up to regional estimates, and formulation of testable hypotheses for process studies. Recent comparative studies have shown that ecosystem models of soil trace gas exchange with the atmosphere are evolving into several distinct simulation approaches. Different levels of detail exist among process models in the treatment of physical controls on ecosystem nutrient fluxes and organic substrate transformations leading to gas emissions. These differences are is in part from distinct objectives of scaling and extrapolation. Parameter requirements for initialization scalings, boundary conditions, and time-series driven therefore vary among ecosystem simulation models, such that the design of field experiments for integration with modeling should consider a consolidated series of measurements that will satisfy most of the various model requirements. For example, variables that provide information on soil moisture holding capacity, moisture retention characteristics, potential evapotranspiration and drainage rates, and rooting depth appear to be of the first order in model evaluation trials for tropical moist forest ecosystems. The amount and nutrient content of labile organic matter in the soil, based on accurate plant production estimates, are also key parameters that determine emission model response. Based on comparative model results, it is possible to construct a preliminary evaluation matrix along categories of key diagnostic parameters and temporal domains. Nevertheless, as large-scale studied are planned, it is notable that few existing models age designed to simulate transient states of ecosystem change, a feature which will be essential for assessment of anthropogenic disturbance on regional gas budgets, and effects of long-term climate variability on biosphere-atmosphere exchange.

Potter, C. S.↗

DOE OSTI2021

Predicting Deformation of Parts from HP Printers due to Sintering with Modeling and Simulation (CRADA NFE-18-07363)

This work proposes to leverage Oak Ridge National Laboratory’s (ORNL) sintering simulation software developed at the Manufacturing Demonstration Facility to 1) investigate the deformation of sintered parts and 2) to develop fast surrogate-based optimization methods for HP Inc. This includes the development of ORNL’s software on HP systems, integration and testing with HP part geometries and material properties, the development of surrogate models based on the results of the simulation, and modifications to the software based on feedback from HP. The expected impacts of this work are a drastic reduction in print costs, an increase in printer throughput, and the identification of novel, possibly exotic materials for 3D printing. This work will also decrease the time to market for HP’s print technology by decreasing the amount of resources and type dedicated to physical testing.

42 ENGINEERING↗

DOE OSTI2021

Modeling and simulation of earthquake soil structure interaction excited by inclined seismic waves

Presented is an application of wave potential formulation (WPF) together with domain reduction method (DRM) to modeling earthquake soil structure interaction (ESSI) behavior in horizontally layered ground under inclined incident seismic waves. Wave potential formulation is used to develop a spatially varying, inclined seismic wave field from incident Primary (P) and Secondary (S) waves that propagate through layered ground. Developed seismic wave field is then used to develop effective forces for Domain Reduction Method that are then used for analyzing ESSI response of a soil structure system. Developed methodology, called WPF-DRM, is verified using analytic solution for a free field response of layered ground subjected to inclined incident waves. Developed WPF-DRM methodology is illustrated through analysis of an ESSI response of a deeply embedded structure, a small modular reactor (SMR) subjected to incident S wave polarized in vertical plane (SV) with variation in inclinations and frequencies. Presented example highlights the influences of incident wave inclination and frequency on ESSI response of analyzed SMR.

58 GEOSCIENCES↗

NASA NTRS1984

Effects of different rub models on simulated rotor dynamics

Using a direct integration, transient response rotor dynamics computer code, the response of turbine engine rotors to two different blade tip - seal interference rub models was studied. The first model, an abradable seal rub model, is based on an energy-loss-per-unit-volume theory (applicable to a ceramic turbine blade tip seal). The second, a smearin model, is based on viscous hydrodynamic theory (applicable to a metallic blade tip seal). The results from these two models were compared with those from a previously studied model based on dry friction theory. The abradable model was very senitive to small changes in the energy per unit volume, and once a threshold was exceeded, the rotor went into a backward whirl. The amplitude seemed to grow without limit. This was similar to the dry friction model when the coefficient of friction exceeded a particular threshold. The smearing model was not as sensitive to small changes in the viscosity, but a threshold viscosity was found. When it was exceeded, the rotor went into backward whirl, but the amplitude seemed to grow to a finite limit.

Kascak, A. F.↗

DOE OSTI2026

First Estimation of Model Parameters for Neutrino-Induced Nucleon Knockout Using Simulation-Based Inference

To enable an accurate determination of oscillation parameters, accelerator-based neutrino experiments require detailed simulations of nuclear interaction physics in the GeV regime. While substantial effort from both theory and experiment is currently being invested to improve the fidelity of these simulations, their present deficiencies typically oblige experimental collaborations to resort to empirical tuning of simulation model parameters. As the precision requirements of the field continue to become more stringent, machine learning techniques may provide a powerful means of handling corresponding growth in the complexity of future neutrino interaction model tuning exercises. To study the suitability of simulation-based inference (SBI) for this physics application, in this paper we revisit a tuned configuration of the GENIE neutrino event generator that was originally developed by the MicroBooNE collaboration. Despite closely reproducing the adopted values of four physics parameters when confronted with the tuned cross-section predictions as input, we find that our trained SBI algorithm prefers modestly different values (within MicroBooNE's assigned uncertainties) and achieves slightly better goodness-of-fit when inference is run on the experimental data set originally used by MicroBooNE. We also find that our trained algorithm can create a fair approximation of an alternative neutrino scattering simulation, NuWro, that shares only a subset of its physics model parameters with GENIE.

Tame-Narvaez, Karla [Fermilab] (ORCID:000000022249↗

DOE OSTI2024

Geologic Characterization of the South Georgia Rift Basin for Source Proximal CO2 Storage

The project Geologic Characterization of the South Georgia Rift Basin for Source Proximal CO2 Storage is one of 9 site characterization projects that were implemented as part of ARRA (American Recovery and Reinvestment Act). Data from this project was used to improve resolution of data in NATCARB in the area of study. Data related to this study has already been incorporated in NATCARB Atlas. The South Carolina Research Foundation and partners evaluated the feasibility of CCS in the Jurassic/ Triassic (J / TR) saline formations of the buried Mesozoic South Georgia Rift (SGR) Basin that extends from South Carolina into Georgia. The J / TR sequence, based on preliminary assessment of limited geologic and geophysical data, appears to have both the appropriate areal extent and multiple horizons to permanently and safely store CO2 The presence of several igneous rock layers within the sequence may potentially provide adequate seals to prevent upward CO2 migration into the Coastal Plain aquifer systems. Approximately 81 kilometers of 2-D seismic reflection data were collected by Bay Geophysical, Inc. to explore a portion of the SGR located in southern Georgia. The 81 kilometers were divided into two lines approximately 40.5 kilometers each, with Line 1 intersecting Georgia well GGS 3457. Line 2 intersects Line 1 at the southern portion of Line 1 to maximize the extent of coverage away from GGS-3457 (a deep well drilled in the 1980s for oil and gas exploration). This well had a set of usable logs, including gamma and neutron logs that provided promising results related to CO2 storage. Results showed sandstone with porosity values greater than 10 percent and a thickness of 120 meters. The design of the seismic shot was to extrapolate information away from the well and to better define the extent of the SGR and the necessary reservoir and caprock for a successful CO2 injection. A numerical simulation model of CO2 Injection and migration was developed based on the geology log for the GGS-3457 well. The simulation model was used to investigate the feasibility of injecting 30 million metric tons of CO2 into SGR J / TA sediments and integrity of the diabase layers as seals to prevent CO2 migration.

2-D seismic↗

NASA NTRS2007

New, Improved Goddard Bulk-Microphysical Schemes for Studying Precipitation Processes in WRF

An improved bulk microphysical parameterization is implemented into the Weather Research and Forecasting ()VRF) model. This bulk microphysical scheme has three different options, 2ICE (cloud ice & snow), 3ICE-graupel (cloud ice, snow & graupel) and 3ICE-hail (cloud ice, snow & hail). High-resolution model simulations are conducted to examine the impact of microphysical schemes on two different weather events (a midlatitude linear convective system and an Atlantic hurricane). The results suggest that microphysics has a major impact on the organization and precipitation processes associated with a summer midlatitude convective line system. The Goddard 3ICE scheme with a cloud ice-snow-hail configuration agreed better with observations in terms of rainfall intensity and a narrow convective line than did simulations with a cloud ice-snow-graupel or cloud ice-snow (i.e., 2ICE) configuration. This is because the 3ICE-hail scheme includes dense ice precipitating (hail) particle with very fast fall speed (over 10 in For an Atlantic hurricane case, the Goddard microphysical schemes had no significant impact on the track forecast but did affect the intensity slightly. The improved Goddard schemes are also compared with WRF's three other 3ICE bulk microphysical schemes: WSM6, Purdue-Lin and Thompson. For the summer midlatitude convective line system, all of the schemes resulted in simulated precipitation events that were elongated in the southwest-northeast direction in qualitative agreement with the observed feature. However, the Goddard 3ICE scheme with the hail option and the Thompson scheme agree better with observations in terms of rainfall intensity, expect that the Goddard scheme simulated more heavy rainfall (over 48 mm/h). For the Atlantic hurricane case, none of the schemes had a significant impact on the track forecast; however, the simulated intensity using the Purdue-Lin scheme was much stronger than the other schemes. The vertical distributions of model simulated cloud species (i.e., snow) are quite sensitive to microphysical schemes, which is an important issue for future verification against satellite retrievals. Both the Purdue-Lin and WSM6 schemes simulated very little snow compared to the other schemes for both the midlatitude convective line and hurricane cases. Sensitivity tests are performed for these two WRF schemes to identify that snow productions could be increased by increasing the snow intercept, turning off the auto-conversion from snow to graupel and reducing the transfer processes from cloud-sized particles to precipitation-sized ice.

Tao, Wei-Kuo↗

DOE OSTI2023

Life Cycle of Major Sudden Stratospheric Warmings in the Southern Hemisphere from a Multimillennial GCM Simulation

Abstract Sudden stratospheric warmings (SSWs) are rare in the Southern Hemisphere (SH), making it difficult to study possible precursors or subsequent impacts. Using a multimillennial coupled climate model simulation producing 161 SSWs in the SH, we present a detailed study of their life cycle. We show that SH SSWs are predominantly displacement events forced by wave-1 planetary waves, and that a surface signature similar to the negative phase of the Southern Annular Mode (SAM) is detectable up to two months before the onset date, but there is a tendency for a transition from wave 1 before to zonally symmetric anomalies after onset. We identify a strong weakening of the Amundsen Sea low as one of the most prominent precursors, which weakens the climatological wave-2 and wave-3 stationary waves and strengthens wave-1 forcing. Compared to their northern counterparts, SH SSWs generally have a longer time scale, and while there is evidence of pre-onset forcing related to tropical sea surface temperatures, the Indian Ocean dipole is more important than El Niño–Southern Oscillation. Significance Statement Sudden stratospheric warmings (SSWs) are extreme events where the winter polar stratosphere warms within a few days to temperatures usually only experienced in summer. These events are rare in the Southern Hemisphere. Therefore, both the observational record and standard climate model simulations are not enough to understand how SSWs develop, or how they might change surface weather. Here we use very long global climate simulations that produce a large number of SSWs in the Southern Hemisphere to study the development and impact of these events. This includes possible precursors as well as the influence they have on surface weather after they occur.

Meteorology & Atmospheric Sciences↗

DOE OSTI2024

Modeling and simulation of multiphase flows

This presentation provides an overview of the National Energy Technology Laboratory’s (NETL) multiphase computational fluid dynamics codes. The highly successful Multiphase Flows with Interphase eXchanges (MFIX) suite has been used to model a wide range of applications including post-combustion carbon capture, bioreactor optimization, and bio-FCC regeneration. MFIX-Exa, a state-of-the-art CFD code, developed under DOE’s Exascale Computing Project, is built on the AMReX software framework (https://amrex-codes.github.io/) and is designed to leverage modern accelerator-based compute architectures. This presentation further reviews the underlying physical models of both MFIX and MFIX-Exa and contrasts their similarities and differences. Examples of past and present CFD simulations will illustrate how scientific computing at NETL is being used not only for scientific exploration but also for design, optimization and scale-up of multiphase flow devices.

Musser, Jordan [NETL]↗

DOE OSTI2024

The Effect of Air Separations on Fast Pyrolysis Products for Forest Residue Feedstocks

This study investigates the intricate relationship between biomass preprocessing and pyrolysis product yields, employing the air classification technique for the treatment of loblolly pine residues with varying moisture content. A comprehensive exploration of the physicochemical properties of air-classified loblolly pine informs a sophisticated pyrolysis simulation model. Given the complex and multifaceted nature of biomass pyrolysis, operating across diverse temporal and spatial scales, a pyrolysis kinetics-based CFD–DEM simulation method is employed to predict product yields. Results showed that the elevated moisture content amplifies particle adhesiveness, necessitating augmented air velocities for effective separation, thereby influencing the efficiency of the separation process. While carbon and hydrogen contents exhibit relative stability across diverse moisture contents and blower frequencies, the oxygen content undergoes noticeable changes. For example, the oxygen contents were measured as 29.2 and 38.6 wt% in the light fraction of 30% moisture content sample at blower frequencies of 10 and 20 Hz, respectively. An intriguing finding emerges from pyrolysis simulation, indicating that a lower blower frequency in air classification moderately enhances bio-oil yield and significantly improves its quality, particularly in terms of water content. For instance, the water content in the bio-oil was about 1.5% and 10% in the heavy and light fractions, respectively from 10% moisture sample under 15 Hz blower frequency. In summary, a detailed understanding and strategic manipulation of critical material attributes in biomass through efficient fractionation techniques are imperative for advancing fast pyrolysis as a sustainable avenue for renewable energy and chemical production.

09 BIOMASS FUELS↗

NASA NTRS1999

Fidelity Analysis of Sampled Imaging Systems

Many modeling, simulation and performance analysis studies of sampled imaging systems are inherently incomplete because they are conditioned on a discrete-input, discrete-output model that only accounts for blurring during image acquisition and additive noise. For those sampled imaging systems where the effects of digital image acquisition, digital filtering and reconstruction are significant, the modeling, simulation and performance analysis should be based on a more comprehensive continuous-input, discrete-processing, continuous-output end-to-end model. This more comprehensive model should properly account for the low-pass filtering effects of image acquisition prior to sampling, the potentially important noiselike effects of the aliasing caused by sampling, additive noise due to device electronics and quantization, the generally high-boost filtering effects of digital processing, and the low-pass filtering effects of image reconstruction. This model should not, however, be so complex as to preclude significant mathematical analysis, particularly the mean-square (fidelity) type of analysis so common in linear system theory. We demonstrate that, although the mathematics of such a model is more complex, the increase in complexity is not so great as to prevent a complete fidelity-metric analysis at both the component level and at the end-to-end system level: that is, computable mean-square-based fidelity metrics are developed by which both component-level and system-level performance can be quantified. In addition, we demonstrate that system performance can be assessed qualitatively by visualizing the output image as the sum of three component images, each of which relates to a corresponding fidelity metric. The cascaded, or filtered, component accounts for the end-to-end system filtering of image acquisition, digital processing, and image reconstruction; the random noise component accounts for additive random noise, modulated by digital processing and image reconstruction filtering; and the aliased noise component accounts for the frequency folding effect of sampling, modulated by digital processing and image reconstruction filtering.

Park, Stephen K.↗

DOE OSTI2024

Bayesian analysis of (3 +1)⁢D relativistic nuclear dynamics with the RHIC beam energy scan data

This work presents a Bayesian inference study for relativistic heavy-ion collisions in the beam energy scan program at the BNL Relativistic Heavy-Ion Collider. The theoretical model simulates event-by-event (3+1)-dimensional [(3+1)⁢D] collision dynamics using hydrodynamics and hadronic transport theory. We analyze the model's 20-dimensional posterior distributions obtained using three model emulators with different accuracy and demonstrate the essential role of training an accurate model emulator in the Bayesian analysis. Our analysis provides robust constraints on the quark-gluon plasma's transport properties and various aspects of (3+1)⁢D relativistic nuclear dynamics. By running full model simulations with 100 parameter sets sampled from the posterior distribution, we make predictions for p T -differential observables and estimate their systematic theory uncertainty. Here, a sensitivity analysis is performed to elucidate how individual experimental observables respond to different model parameters, providing useful physics insights into the phenomenological model for heavy-ion collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1994

Dependability analysis of parallel systems using a simulation-based approach

The analysis of dependability in large, complex, parallel systems executing real applications or workloads is examined in this thesis. To effectively demonstrate the wide range of dependability problems that can be analyzed through simulation, the analysis of three case studies is presented. For each case, the organization of the simulation model used is outlined, and the results from simulated fault injection experiments are explained, showing the usefulness of this method in dependability modeling of large parallel systems. The simulation models are constructed using DEPEND and C++. Where possible, methods to increase dependability are derived from the experimental results. Another interesting facet of all three cases is the presence of some kind of workload of application executing in the simulation while faults are injected. This provides a completely new dimension to this type of study, not possible to model accurately with analytical approaches.

Sawyer, Darren Charles↗