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DOE OSTI2013

MPAS-Ocean Model User's Guide

The Model for Prediction Across Scales-Ocean (MPAS-Ocean) is an unstructured-mesh ocean model capable of using enhanced horizontal resolution in selected regions of the ocean domain. This allows researchers to perform high-resolution regional simulations at a lower computational cost, while providing realistic currents and water-mass properties from the low-resolution regions. Model domains may be spherical with bottom topography to simulate the earth’s oceans, or on Cartesian domains for idealized experiments. The global meshes, created using Spherical Centroidal Voronoi Tesselations (Ringler et al., 2008, 2011) consist of gridcells that vary smoothly from low to high resolution regions. Numerical algorithms specifically designed for these grids guarantee that mass, tracers, potential vorticity (in isopycnal mode) and energy are conserved (Thuburn et al., 2009; Ringler et al., 2010). MPAS-Ocean high-resolution and variable-resolution global simulations, as well as descriptions of mesh generation, model capabilities, and algorithms, are presented in Ringler et al. (2013).

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2017

A Comparison of Three Random Number Generators for Aircraft Dynamic Modeling Applications

Three random number generators, which produce Gaussian white noise sequences, were compared to assess their suitability in aircraft dynamic modeling applications. The first generator considered was the MATLAB (registered) implementation of the Mersenne-Twister algorithm. The second generator was a website called Random.org, which processes atmospheric noise measured using radios to create the random numbers. The third generator was based on synthesis of the Fourier series, where the random number sequences are constructed from prescribed amplitude and phase spectra. A total of 200 sequences, each having 601 random numbers, for each generator were collected and analyzed in terms of the mean, variance, normality, autocorrelation, and power spectral density. These sequences were then applied to two problems in aircraft dynamic modeling, namely estimating stability and control derivatives from simulated onboard sensor data, and simulating flight in atmospheric turbulence. In general, each random number generator had good performance and is well-suited for aircraft dynamic modeling applications. Specific strengths and weaknesses of each generator are discussed. For Monte Carlo simulation, the Fourier synthesis method is recommended because it most accurately and consistently approximated Gaussian white noise and can be implemented with reasonable computational effort.

Grauer, Jared A.↗

DOE OSTI2019

Simultaneous numerical representation of soil microsite production and consumption of carbon dioxide, methane, and nitrous oxide using probability distribution functions

Production and consumption of nitrous oxide (N 2 O), methane (CH 4 ), and carbon dioxide (CO 2 ) are affected by complex interactions of temperature, moisture, and substrate supply, which are further complicated by spatial heterogeneity of the soil matrix. This microsite heterogeneity is often invoked to explain non-normal distributions of greenhouse gas (GHG) fluxes, also known as hot spots and hot moments. To advance numerical simulation of these belowground processes, we expanded the Dual Arrhenius and Michaelis-Menten (DAMM) model, to apply it consistently for all three GHGs with respect to the biophysical processes of production, consumption, and diffusion within the soil, including the contrasting effects of oxygen (O 2 ) as substrate or inhibitor for each process. High-frequency chamber-based measurements of all three GHGs at the Howland Forest (ME, USA) were used to parameterize the model using a multiple constraint approach. The area under a soil chamber is partitioned according to a bivariate lognormal probability distribution function (PDF) of carbon (C) and water content across a range of microsites, which leads to a PDF of heterotrophic respiration and O 2 consumption among microsites. Linking microsite consumption of O 2 with a diffusion model generates a broad range of microsite concentrations of O 2 , which then determines the PDF of microsites that produce or consume CH 4 and N 2 O, such that a range of microsites occurs with both positive and negative signs for net CH 4 and N 2 O flux. Results demonstrate that it is numerically feasible for microsites of N 2 O reduction and CH 4 oxidation to co-occur under a single chamber, thus explaining occasional measurement of simultaneous uptake of both gases. Simultaneous simulation of all three GHGs in a parsimonious modeling framework is challenging, however it increases confidence that agreement between simulations and measurements is based on skillful numerical representation of processes across a heterogeneous environment.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2001

Three-dimensional tissue assemblies: novel models for the study of Salmonella enterica serovar Typhimurium pathogenesis

The lack of readily available experimental systems has limited knowledge pertaining to the development of Salmonella-induced gastroenteritis and diarrheal disease in humans. We used a novel low-shear stress cell culture system developed at the National Aeronautics and Space Administration in conjunction with cultivation of three-dimensional (3-D) aggregates of human intestinal tissue to study the infectivity of Salmonella enterica serovar Typhimurium for human intestinal epithelium. Immunohistochemical characterization and microscopic analysis of 3-D aggregates of the human intestinal epithelial cell line Int-407 revealed that the 3-D cells more accurately modeled human in vivo differentiated tissues than did conventional monolayer cultures of the same cells. Results from infectivity studies showed that Salmonella established infection of the 3-D cells in a much different manner than that observed for monolayers. Following the same time course of infection with Salmonella, 3-D Int-407 cells displayed minimal loss of structural integrity compared to that of Int-407 monolayers. Furthermore, Salmonella exhibited significantly lower abilities to adhere to, invade, and induce apoptosis of 3-D Int-407 cells than it did for infected Int-407 monolayers. Analysis of cytokine expression profiles of 3-D Int-407 cells and monolayers following infection with Salmonella revealed significant differences in expression of interleukin 1alpha (IL-1alpha), IL-1beta, IL-6, IL-1Ra, and tumor necrosis factor alpha mRNAs between the two cultures. In addition, uninfected 3-D Int-407 cells constitutively expressed higher levels of transforming growth factor beta1 mRNA and prostaglandin E2 than did uninfected Int-407 monolayers. By more accurately modeling many aspects of human in vivo tissues, the 3-D intestinal cell model generated in this study offers a novel approach for studying microbial infectivity from the perspective of the host-pathogen interaction.

NASA Discipline Environmental Health↗

DOE OSTI2016

INTERSTELLAR PICKUP ION PRODUCTION IN THE GLOBAL HELIOSPHERE AND HELIOSHEATH

Interstellar pickup ions (PUIs) play a significant part in mediating the solar wind (SW) interaction with the interstellar medium. In this paper, we examine the details of spatial variation of the PUI velocity distribution function (VDF) in the SW by solving the PUI transport equation. We assume the PUI distribution is isotropic resulting from strong pitch-angle scattering by wave–particle interaction. A three-dimensional model combining the MHD treatment of the background SW and neutrals with a kinetic treatment of PUIs throughout the heliosphere and the surrounding local interstellar medium has been developed. The model generates PUI power-law tails via second-order Fermi process. We analyze how PUIs transform across the heliospheric termination shock and obtain the PUI phase space distribution in the inner heliosheath including continuing velocity diffusion. Our simulated PUI spectra are compared with observations made by New Horizons , Ulysses , Voyager 1, 2 , and Cassini , and a satisfactory agreement is demonstrated. Some specific features in the observations, for example, a cutoff of PUI VDF at v = V {sub SW} and a f ∝ v {sup -5} tail in the reference frame of the SW, are well represented by the model.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2013

Using Models to Provide Predicted Ranges for Building-Human Interfaces: Preprint

Most building energy consumption dashboards provide only a snapshot of building performance; whereas some provide more detailed historic data with which to compare current usage. This paper will discuss the Building Agent(tm) platform, which has been developed and deployed in a campus setting at the National Renewable Energy Laboratory as part of an effort to maintain the aggressive energyperformance achieved in newly constructed office buildings and laboratories. The Building Agent(tm) provides aggregated and coherent access to building data, including electric energy, thermal energy, temperatures, humidity, and lighting levels, and occupant feedback, which are displayed in various manners for visitors, building occupants, facility managers, and researchers. This paper focuseson the development of visualizations for facility managers, or an energy performance assurance role, where metered data are used to generate models that provide live predicted ranges of building performance by end use. These predicted ranges provide simple, visual context for displayed performance data without requiring users to also assess historical information or trends. Several energymodelling techniques were explored including static lookup-based performance targets, reduced-order models derived from historical data using main effect variables such as solar radiance for lighting performance, and integrated energy models using a whole-building energy simulation program.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2014

Dynamical modeling of tidal streams

I present a new framework for modeling the dynamics of tidal streams. The framework consists of simple models for the initial action-angle distribution of tidal debris, which can be straightforwardly evolved forward in time. Taking advantage of the essentially one-dimensional nature of tidal streams, the transformation to position-velocity coordinates can be linearized and interpolated near a small number of points along the stream, thus allowing for efficient computations of a stream's properties in observable quantities. I illustrate how to calculate the stream's average location (its 'track') in different coordinate systems, how to quickly estimate the dispersion around its track, and how to draw mock stream data. As a generative model, this framework allows one to compute the full probability distribution function and marginalize over or condition it on certain phase-space dimensions as well as convolve it with observational uncertainties. This will be instrumental in proper data analysis of stream data. In addition to providing a computationally efficient practical tool for modeling the dynamics of tidal streams, the action-angle nature of the framework helps elucidate how the observed width of the stream relates to the velocity dispersion or mass of the progenitor, and how the progenitors of 'orphan' streams could be located. The practical usefulness of the proposed framework crucially depends on the ability to calculate action-angle variables for any orbit in any gravitational potential. A novel method for calculating actions, frequencies, and angles in any static potential using a single orbit integration is described in the Appendix.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2018

Introduction to Big Earth Data Applications

Climate and weather modeling generate enormous volumes that make iterative analysis challenging, spurring the development of new ways to work with the data. A theme going across applications is the need to identify and highlight "interesting" data for the scientist to focus on. Operational applications often scale up from small, local studies to larger spatial scales with more analysis targets.

parallel processing (computers)↗

DOE OSTI2019

Modeling gamma radiation exposure rates using geologic and remote sensing data to locate radiogenic anomalies

Aerial Gamma-Ray Surveys (GRS) are ideal for tracking anthropogenic gamma radiation releases and transport. The interpretation of a GRS can be complicated by natural gamma-ray sources such as atmospheric radon, cosmic rays, geologic materials, and even the survey equipment itself. Some of these complicating factors can be accounted for or corrected by calibration or mathematic techniques. Real-time algorithms that attempt to enhance potential radiogenic anomalies over background are also in use. However, natural geology is a source of significant background gamma-ray production and neither mathematical corrections nor real-time algorithmic approaches directly account for geology and geochemistry. Here in this study, we advance techniques to predict geologic background exposure rates using rapid and practical methods which can be achieved in the field. In addition we generate models that focus specifically on highlighting radiogenic anomalies for emergency response or further investigation. Predictive models developed in this study were generally able to predict background with medians of ± 1.0 μR/h compared to measured data, and were also able to highlight anomalous areas even where radiation exposure rates were within the range of natural background.

58 GEOSCIENCES↗

NASA NTRS1979

A jet exhaust noise prediction procedure for inverted velocity profile coannular nozzles

Acoustic model tests have demonstrated that significant noise suppression can be obtained from inverted velocity profile coannular nozzles. An acoustic prediction procedure was developed for inverted velocity profile coannular nozzles that can be used to predict SPL spectra as a function of nozzle geometry and flow conditions. In the development of this prediction procedure, the noise spectrum at a given angle was decomposed into four noise components: a low frequency mixing noise component, a high frequency mixing noise component, an outer stream shock noise component, and an inner stream shock noise component. The physics of the inverted velocity flow field development was used to formulate noise generation models. Scaling laws for each noise component were defined based on these models. Comparisons of predictions from this procedure with experimental data were conducted to verify the prediction procedure.

Larson, R. S.↗

NASA NTRS1993

A two-dimensional model with coupled dynamics, radiation, and photochemistry. 1: Simulation of the middle atmosphere

Spatial and seasonal distribution of ozone and other trace gases are simulated using a interactive two-dimensional model of the stratosphere updated to include full gas phase chemistry. The model consists of a primitive equation dynamics module, a full radiative transfer scheme, and a comprehensive gas phase chemistry module. The circulation is derived from heating rates in the stratosphere that are calculated using model-generated ozone. In the troposphere, parameterized heating rates are adopted. The eddy momentum flux divergence in the zonal mean momentum equation is given by the eddy fluxes of potential vorticity. Eddy fluxes of potential vorticity and tracers are parameterized using a set of predetermined diffusion coefficients. The adopted values for K(sub yy), show a hemispherical asymmetry in that the values in the lower stratosphere are consistently smaller in the southern hemisphere. The asymmetry in K(sub yy) and in the parameterization of the tropospheric heating rate results in an asymmetry in the circulation giving rise to unique signatures in the trace gas distributions. The model successfully simulates the observed asymmetry in the column abundance of the springtime ozone maxima between northern and southern hemisphere. Results for other trace gases are in agreement with the gross observed features although specific differences exist.

Ko, Malcolm K. W.↗

DOE OSTI2016

Effects of bypass flow and power change and deviation on performance of thermal mixing structure of HTR-PM - 18424

The temperature of bypass flow not flowing through the reactor core is obviously lower than that of the main coolant helium in a High Temperature Gas-cooled Reactor (HTGR). In addition, change and deviation of reactor power because of power regulation will introduce higher radial temperature difference of coolant helium from reactor to steam generator. In order to investigate the effects of bypass flow and power change and deviation on radial temperature difference of the helium flow entering the steam generator, model experiments and simulation calculations are proposed to evaluate the mixing performance of the thermal mixing structure at HTR-PM reactor core outlet. The experiments on Test Facility Hot Gas Mixing (TF-HGM) are carried out to observe the influences of bypass flow and reactor power deviation on mixing performance. In addition, some simulation calculations are conducted for the main mixing structure of the TF-HGM facility and the thermal mixing structure of HTR-PM. According to the results of experiments and simulation calculations, the maximum radial temperature difference at the outlet of the mixing structure fulfils the requirement by steam generator, less than 30 deg. C ({+-}15 deg. C), under all considered conditions. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2024

DFT Analysis of the Binding of Rare Earth Nitrates at Internal and External Surfaces of MCM-22

MCM-22-type zeolites constitute a well-characterized tunable class of aluminosilicates suitable for elucidating the fundamental aspects of the binding of rare earth elements (REEs) in layered materials. Starting from the pure silica version ITQ-1 with a unit cell of Si 72 O 144 , a model for periodic bulk crystalline MCM-22 with a finite Al concentration is provided by replacing a Si atom with an Al atom in the unit cell at suitable tetrahedral sites near an internal pore surface. Then, a H atom is added to an O atom bridging Si and Al atoms to create a Brønsted acid site (BAS). There are no internal silanol groups in this bulk model. To generate a model for an external surface, we adopt the fully hydroxylated surface structure of a layer within the ITQ-1 precursor with two silanols per lateral unit cell. A BAS on the external surface can be generated by replacing a near-surface Si atom with an Al atom and adding a H atom, as above. The strength of binding at a BAS of REE, X, taken to be present in the solution phase as nitrates, is determined from the energy change in the reaction X(NO 3 ) 3 + ≡Si–{OH}–Al≡ → ≡Si–{OX(NO 3 ) 2 }–Al≡+ HNO 3 . The strength of binding at the silanols is determined similarly. Binding energies are determined from two approaches. The first performs periodic plane-wave density functional theory (DFT) total energy analysis for an entire unit cell of MCM-22. The second utilizes cluster models capturing the local environment of REE binding sites and performs DFT analysis with localized basis sets. The two approaches yield consistent results for Nd, revealing similarly strong binding at either an external or internal BAS, but much weaker binding at a silanol site. This is consistent with the picture deduced from recent experiments. Here, we also comment on binding at Al-bridged siloxane sites, which have been suggested as alternative binding sites to BAS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Geothermal-integrated thermally anisotropic building envelope for energy and peak-demand reduction

Buildings consume large amounts of energy for heating and cooling, while peak electricity demand places significant stress on the power grid. This paper presents a reduced-order co-simulation framework and load-oriented supervisory control strategy for a geothermal-integrated thermally anisotropic building envelope with a ground loop (TABE+GL). In TABE+GL, a hydronic loop embedded in the building envelope is directly coupled with a geothermal ground loop, allowing for bidirectional heat exchange between the envelope, the ground, and the indoor environment. A hybrid co-simulation framework was established by coupling a reduced-order resistor–capacitor (RC) thermal network model with EnergyPlus augmented with GHEDesigner modules. The RC model generated feasible heat flux options under three operating modes, and EnergyPlus predicted sensible loads, energy use, and pump energy demand. At each simulation step, a supervisory control algorithm selected the optimal loop configuration and duty factor that maximizes useful TABE geothermal utilization without exceeding the predicted sensible load, thereby avoiding overheating or cooling. Case studies were conducted for Los Angeles, California, Charleston, South Carolina, and Denver, Colorado. Results showed that the proposed framework reduced HVAC electricity consumption by 43%–67%, natural gas use for space heating by 11%–38%, and peak electricity demand by 43%–88%. These results highlight the potential of combining reduced-order envelope modeling, direct geothermal coupling, and load-oriented supervisory control to improve whole building energy performance and reduce peak demand across diverse weather conditions.

Howard, Daniel [Southern Adventist University]↗

DOE OSTI2015

PHYSICAL CONDITIONS IN THE X-RAY EMISSION-LINE GAS IN NGC 1068

We present a detailed, photoionization modeling analysis of XMM-Newton/Reflection Grating Spectrometer observations of the Seyfert 2 galaxy NGC 1068. The spectrum, previously analyzed by Kinkhabwala et al., reveals a myriad of soft X-ray emission lines, including those from H- and He-like carbon, nitrogen, oxygen, and neon, and M- and L-shell iron. As noted in the earlier analysis, based on the narrowness of the radiative recombination continua, the electron temperatures in the emission-line gas are consistent with photoionization, rather than collisional ionization. The strengths of the carbon and nitrogen emission lines, relative to those of oxygen, suggest unusual elemental abundances, which we attribute to the star formation history of the host galaxy. Overall, the emission lines are blueshifted with respect to systemic, with radial velocities ∼160 km s{sup –1}, similar to that of [O III] λ5007, and thus consistent with the kinematics and orientation of the optical emission-line gas and, hence, likely part of an active galactic nucleus driven outflow. We were able to achieve an acceptable fit to most of the strong emission lines with a two-component photoionization model, generated with CLOUDY. The two components have ionization parameters and column densities of logU = –0.05 and 1.22 and logN {sub H} = 20.85 and 21.2 and covering factors of 0.35 and 0.84, respectively. The total mass of the X-ray gas is roughly an order of magnitude greater than the mass of ionized gas determined from optical and near-IR spectroscopy, which indicates that it may be the dominant component of the narrow-line region. Furthermore, we suggest that the medium that produces the scattered/polarized optical emission in NGC 1068 possesses similar physical characteristics to those of the more highly ionized of the X-ray model components.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

Natural generalized mirage mediation

We present that in the supersymmetric scenario known as mirage mediation (MM), the soft SUSY breaking terms receive comparable anomaly-mediation and moduli-mediation contributions leading to the phenomenon of mirage unification. The simplest MM SUSY breaking models which are consistent with the measured Higgs mass and sparticle mass constraints are strongly disfavoured by fine-tuning considerations. However, while MM makes robust predictions for gaugino masses, the scalar sector is quite sensitive to specific mechanisms for moduli stabilization and potential uplifting. We suggest here a broader setup of generalized mirage mediation (GMM), where heretofore discrete parameters are allowed as continuous to better parametrize these other schemes. We find that natural SUSY spectra consistent with both the measured value of m h as well as LHC lower bounds on superpartner masses are then possible. We explicitly show that models generated from natural GMM may be beyond the reach of even high-luminosity LHC searches. In such a case, the proposed International Linear e + e - Collider (ILC) will be required for natural SUSY discovery via higgsino pair production reactions. We also outline prospects for detection of higgsino-like WIMPs from natural GMM.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Machine Intelligence to Detect, Characterise, and Defend against Influence Operations in the Information Environment

Social media has enabled a new era of manipulation in the information and cognitive domains. Deceptive content—misleading, falsified, and fabricated—is routinely created and spread in the modern social media environment with the intent to create confusion and widen political and social divides, and exploit the societal conflict exacerbated by these divides in the real-world (aka physical domain). Such disinformation campaigns demonstrate a threat to the integrity of economic, political, cultural, public health, and national security institutions around the world. In this work we overview our artificial intelligence (AI) capabilities to detect, describe, and defend against information operations on Twitter as an example social platform to understand the influence of misleading and falsified content diffusion and better enable those charged with defending against such manipulation to enable responsive parties to counter it. We first present novel linguistically-informed deep learning (DL) models for misinformation and disinformation detection, and present an in-depth linguistic analysis of psycho-linguistic markers across broad deception categories. We then demonstrate how our models perform in the multilingual and multimodal setting and categorize falsified and misleading content based on the intent to deceive. We also provide a large-scale analysis to describe user behavior and spread patterns while engaging with deceptive content and report novel findings about the immediate diffusion of deceptive content by characterizing the vulnerable sub-populations and their demographics, and explicitly measuring speed and scale of deception spread to uncover who shares deceptive content, how quickly, how much, and how evenly. In addition, we measure audience reactions to misinformation and disinformation at scale, distinguishing the reactions of users identified as bots versus humans. Finally, we take advantage of deep translation and generation models to create unique solutions for real-time defense against digital deception and discuss how to apply causal inference to prescribe and intervene into strategic communications jointly across information, cognitive, and physical domains.

artificial intelligence, deep learning, neural lan↗

DOE OSTI2016

Bringing Fenton Hill into the Digital Age: Data Conversion in Support of the Geothermal Technologies Office Code Comparison Study Challenge Problems

The Geothermal Technologies Office Code Comparison Study (GTO-CCS) was established by the U.S. Department of Energy to facilitate collaboration among members of the geothermal modeling community and to evaluate and improve upon the ability of existing codes to simulate thermal, hydrological, mechanical, and chemical processes associated with complex enhanced geothermal systems (EGS). The first stage of the project, which has been completed, involved comparing simulations for seven benchmark problems that were primarily designed using well-prescribed, simplified data sets. In the second stage, the participating teams are tackling two challenge problems based on the EGS research conducted in hot dry rock (HDR) at Fenton Hill, near Los Alamos, New Mexico. The Fenton Hill project, conducted by Los Alamos National Laboratory (LANL) from 1970 to 1995, was the world’s first HDR demonstration project. One of the criteria for selecting this experiment as the basis for the challenge problems was the amount and availability of data for generating model inputs. The Fenton Hill HDR system consisted of two reservoirs – an earlier Phase I reservoir tested from 1974 to 1981 and a deeper Phase II reservoir tested from 1980 to 1995. Detailed accounts of both phases of the HDR project have been presented in a number of books and reports, including a recently published summary of the lessons learned and a final report with a chronological description of the Fenton Hill project, prepared by LANL. Project documents and records have been archived and made public through the National Geothermal Data System (NGDS). Some of the data acquired from Phase II are available in electronic format readable on modern computers. These include the microseismic data from some of the important experiments (e.g. the massive hydraulic fracturing test conducted in 1983) and the injection/production wellhead data from the circulation tests conducted between 1992-1995. However, much of the data collected during the project, while publicly available, currently only exist in the form of tables or graphs within scanned documents. Therefore, in support of the GTO-CCS, the data needed for developing simulation inputs are being compiled and converted to platform independent, open readable formats so that all participating teams will have access to the same electronic data set. In some cases this requires conversion using optical character recognition, digitizing existing images, and generating the appropriate metadata from project documents. The GTO-Velo knowledge management framework, developed by Pacific Northwest National Laboratory (PNNL), was used for the benchmark problem stage of the comparison study and will also be used as the data repository for the challenge problem data sets. It is staggering and impractical to convert all published data for the Fenton Hill site, so the focus is on data that supports simulations for the three topical areas defined by the study for the challenge problems: 1) reservoir creation/stimulation, 2) reactive and passive transport, and 3) thermal recovery. Conversion of these data provide value not only to GTO-CCS participants, but also to members of the geothermal community at large who may be interested in revisiting the Fenton Hill experiment in the future.

Code Comparison Study↗