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At least 91 records · Page 5

Bayesian calibration of strength parameters using hydrocode simulations of symmetric impact shock experiments of Al-5083

We report that predictive modeling of materials requires accurately parameterized constitutive models. Parameterizing models that describe dynamic strength and plasticity require experimentally probing materials in a variety of strain rate regimes. Some experimental protocols (e.g., plate impact) probe the constitutive response of a material using indirect measures such as free surface velocimetry. Manual efforts to parameterize constitutive models using indirect experimental measures often lead to non-unique optimizations without quantification of parameter uncertainty. This study uses a Bayesian statistical approach to find model parameters and to quantify the uncertainty of the resulting parameters. The technique is demonstrated by parameterizing the Johnson-Cook strength model for aluminum alloy 5083 by coupling hydrocode simulations and velocimetry measurements of a series of plate impact experiments. Simulation inputs and outputs are used to calibrate an emulator that mimics the outputs of the computationally intensive simulations. Varying the amount of experimental data available for emulator calibration showed clear differences in the degree of uncertainty and uniqueness of the resulting optimized Johnson-Cook parameters for Al-5083. The results of the optimization provided a numerical evaluation of the degree of confidence in model parameters and model performance. Lastly, given an understanding of the physical effects of certain model parameters, individual parameter uncertainty can be leveraged to quickly identify gaps in the physical domains covered by completed experiments.

36 MATERIALS SCIENCE↗

Measuring Alignments between Galaxies and the Cosmic Web at z ∼ 2–3 Using IGM Tomography

Many galaxy formation models predict alignments between galaxy spin and the cosmic web (i.e., directions of filaments and sheets), leading to an intrinsic alignment between galaxies that creates a systematic error in weak-lensing measurements. These effects are often predicted to be stronger at high redshifts (z ≳ 1) that are inaccessible to massive galaxy surveys on foreseeable instrumentation, but IGM tomography of the Lyα forest from closely spaced quasars and galaxies is starting to measure the z ∼ 2–3 cosmic web with requisite fidelity. Using mock surveys from hydrodynamical simulations, we examine the utility of this technique, in conjunction with coeval galaxy samples, to measure alignment between galaxies and the cosmic web at z ∼ 2.5. We show that IGM tomography surveys with ≲5 h {sup −1} Mpc sightline spacing can accurately recover the eigenvectors of the tidal tensor, which we use to define the directions of the cosmic web. For galaxy spins and shapes, we use a model parameterized by the alignment strength, Δ〈cos θ〉, with respect to the tidal tensor eigenvectors from the underlying density field, and also consider observational effects such as errors in the galaxy position angle, inclination, and redshift. Measurements using the upcoming ∼1 deg{sup 2} CLAMATO tomographic survey and 600 coeval zCOSMOS-Deep galaxies should place 3σ limits on extreme alignment models with Δ〈cos θ〉∼0.1, but much larger surveys encompassing >10,000 galaxies, such as Subaru PFS, will be required to constrain models with Δ〈cos θ〉∼0.03. These measurements will constrain models of galaxy–cosmic web alignment and test tidal torque theory at z ∼ 2, improving our understanding of the physics of intrinsic alignments.

79 ASTRONOMY AND ASTROPHYSICS↗

Formulation of Multicomponent Lattice Gas Model Cluster Expansions Parameterized on Ab Initio Data: An Introduction to the Ab Initio Mean-Field Augmented Lattice Gas Modeling Code

A formalism is presented for the construction of multicomponent lattice gas models parameterized with ab initio (typically density functional theory) data. The leave-multiple-out and the leave-one-out cross validation score are showcased, and practical algorithms are developed and implemented in a new code called the Ab initio Mean-field Augmented Lattice Gas Modeling (AMALGM) code. Here, the functionality of these algorithms is demonstrated with a fully worked out example using the O/Fe(100) system. AMALGM and the formalism on which it is based are envisioned as a surface-oriented lattice gas alternative to other cluster expansion codes that are typically geared toward bulk systems whose lateral interactions between components are parameterized using an Ising model. While the formalism is created within the context of surfaces, it is equally applicable to bulk materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Fully coupled simulation of cosmic reionization. II. Recombinations, clumping factors, and the photon budget for reionization

We use a fully coupled cosmological simulation including dark matter dynamics, multispecies hydrodynamics, nonequilibrium chemical ionization, flux-limited diffusion radiation transport, and a parameterized model of star formation and feedback (thermal and radiative) to investigate the epoch of hydrogen reionization in detail. In this paper, the first of several application papers, we investigate the mechanics of reionization from stellar sources forming in high-z galaxies, the utility of various formulations for the gas clumping factor on accurately estimating the effective recombination time in the intergalactic medium (IGM), and the photon budget required to achieve reionization. We also test the accuracy of the static and time-dependent models of Madau et al. as predictors of reionization completion/maintenance. We simulate a WMAP7 ΛCDM cosmological model in a 20 comoving Mpc cube, resolved with 800{sup 3} uniform fluid cells and dark matter particles. By tuning our star formation recipe to approximately match the observed high-redshift star formation rate density and galaxy luminosity function, we have created a fully coupled radiation hydrodynamical realization of hydrogen reionization, which begins to ionize at z ≈ 10 and is completed at z ≈ 5.8 without further tuning. We find that roughly two ionizing photons per H atom are required to convert the neutral IGM to a highly ionized state. After reionization concludes, we find that the quantity n-dot{sub ion}×(1 Gyr)/n{sub H} is ∼9 at z = 5, in rough agreement with measurements of the ionizing emissivity by Becker and Bolton. The complicated events during reionization that lead to this number can be generally described as inside-out, but in reality, the narrative depends on the level of ionization of the gas one attributes as being ionized. We find that the formula for the ionizing photon production rate needed to maintain the IGM in an ionized state derived by Madau et al. should not be used to predict the epoch of reionization completion because it ignores history-dependent terms in the global ionization balance which are not ignorable. We find that the time-dependent model for the ionized volume fraction Q{sub HII} is more predictive, but overestimates the redshift of reionization completion z{sub reion} by Δz ≈ 1. We propose a revised formulation of the time-dependent model that agrees with our simulation to a few percent accuracy. Finally, we use our simulation data to measure the absorption of ionizing radiation due to circumgalactic gas resolved on our mesh and find f-bar{sub esc}(CGM)≈0.7.

79 ASTRONOMY AND ASTROPHYSICS↗

Spatial biases of information influence global estimates of soil respiration: how can we improve global predictions?

Soil respiration (Rs), the efflux of CO2 from soils to the atmosphere, is a major component of the terrestrial carbon cycle, but is poorly constrained from regional to global scales. The global soil respiration database (SRDB) is a compilation of in-situ Rs observations from around the globe that has been consistently updated with new measurements over the past decade. It is unclear whether the addition of data to new versions of the SRDB has produced better-constrained global Rs estimates. We compared two versions of the SRDB (v3.0 n=5173 and v5.0 n=10366) to determine how additional data influenced the global sum and uncertainty of Rs as predicted by a quantile regression forest model. A model parameterized using SRDBv3 yielded a global Rs sum of 88.6 Pg C yr-1, and associated uncertainty of 29.9 (mean absolute error) and 57.9 (standard deviation) Pg C yr-1, whereas parameterization using SRDBv5 yielded 96.5 Pg C yr-1 and associated uncertainty of 30.2 (mean average error) and 73.4 (standard deviation) Pg C yr-1. Empirically estimated global heterotrophic respiration (Rh) from v3 and v5 were 49.9-50.2 (mean 50.1) and 53.3-53.5 (mean 53.4) Pg C yr-1, respectively. Interestingly, SRDBv5’s inclusion of new data from underrepresented regions (e.g., Asia, Africa, South America) thus resulted in overall higher model uncertainty. The SRDBv5 is still biased towards northern latitudes and temperate zones, so we tested that an optimized global distribution of Rs measurements resulted in a global sum of 96.4 ± 21.4 Pg C yr-1 and lower model uncertainty. These results support current global estimates of Rs but highlight spatial inconsistencies that influence model parameterization and interpretation that should be addressed to improve regional- to global-scale predictions.

Stell, Emma↗

A Bayesian Machine Learning Model for Estimating Building Occupancy from Open Source Data

Understanding building occupancy is critical to a wide array of applications including natural hazards loss analysis, green building technologies, and population distribution modeling. Due to the expense of directly monitoring buildings, scientists rely in addition on a wide and disparate array of ancillary and open source information including subject matter expertise, survey data, and remote sensing information. These data are fused using data harmonization methods which refer to a loose collection of formal and informal techniques for fusing data together to create viable content for building occupancy estimation. In this paper, we add to the current state of the art by introducing the Population Data Tables (PDT), a Bayesian based informatics system for systematically arranging data and harmonization techniques into a consistent, transparent, knowledge learning framework that retains in the final estimation uncertainty emerging from data, expert judgment, and model parameterization. PDT probabilistically estimates ambient occupancy in units of people/1000ft2 for over 50 building types at the national and sub-national level with the goal of providing global coverage. The challenge of global coverage led to the development of an interdisciplinary geospatial informatics system tool that provides the framework for capturing, storing, and managing open source data, handling subject matter expertise, carrying out Bayesian analytics as well as visualizing and exporting occupancy estimation results. We present the PDT project, situate the work within the larger community, and report on the progress of this multi-year project.Understanding building occupancy is critical to a wide array of applications including natural hazards loss analysis, green building technologies, and population distribution modeling. Due to the expense of directly monitoring buildings, scientists rely in addition on a wide and disparate array of ancillary and open source information including subject matter expertise, survey data, and remote sensing information. These data are fused using data harmonization methods which refer to a loose collection of formal and informal techniques for fusing data together to create viable content for building occupancy estimation. In this paper, we add to the current state of the art by introducing the Population Data Tables (PDT), a Bayesian model and informatics system for systematically arranging data and harmonization techniques into a consistent, transparent, knowledge learning framework that retains in the final estimation uncertainty emerging from data, expert judgment, and model parameterization. PDT probabilistically estimates ambient occupancy in units of people/1000 ft 2 for over 50 building types at the national and sub-national level with the goal of providing global coverage. The challenge of global coverage led to the development of an interdisciplinary geospatial informatics system tool that provides the framework for capturing, storing, and managing open source data, handling subject matter expertise, carrying out Bayesian analytics as well as visualizing and exporting occupancy estimation results. We present the PDT project, situate the work within the larger community, and report on the progress of this multi-year project.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Connecting CO intensity mapping to molecular gas and star formation in the epoch of galaxy assembly

Intensity mapping, which images a single spectral line from unresolved galaxies across cosmological volumes, is a promising technique for probing the early universe. Here we present predictions for the intensity map and power spectrum of the CO(1–0) line from galaxies at z∼2.4–2.8, based on a parameterized model for the galaxy–halo connection, and demonstrate the extent to which properties of high-redshift galaxies can be directly inferred from such observations. We find that our fiducial prediction should be detectable by a realistic experiment. Motivated by significant modeling uncertainties, we demonstrate the effect on the power spectrum of varying each parameter in our model. Using simulated observations, we infer constraints on our model parameter space with an MCMC procedure, and show corresponding constraints on the L{sub IR}–L{sub CO} relation and the CO luminosity function. These constraints would be complementary to current high-redshift galaxy observations, which can detect the brightest galaxies but not complete samples from the faint end of the luminosity function. By probing these populations in aggregate, CO intensity mapping could be a valuable tool for probing molecular gas and its relation to star formation in high-redshift galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗

Connecting suborganismal data to bioenergetic processes: killifish embryos exposed to a dioxin-like compound

A core challenge for ecological risk assessment is to integrate molecular responses into a chain of causality to organismal or population level outcomes. Bioenergetic theory may be a useful approach for integrating suborganismal responses to predict organismal level responses that influence population dynamics. In this work, we describe a novel application of Dynamic Energy Budget (DEB), theory in the context of a toxicity framework (Adverse Outcome Pathways, AOP) to make quantitative predictions of chemical exposures to individuals, starting from suborganismal data. We use early life stage exposure of Fundulus heteroclitus to dioxin-like chemicals (DLCs) and connect AOP Key Events (KEs) to DEB processes through “damage” that is produced at a rate proportional to the internal toxicant concentration. We use transcriptomic data of fish embryos exposed to DLCs to translate molecular indicators of damage into changes in DEB parameters (damage increases somatic maintenance costs) and use DEB models to predict sublethal and lethal effects of young fish. By changing a small subset of model parameters, we predict the evolved tolerance to DLCs in some wild F. heteroclitus populations, a data set not used in model parameterization. The differences in model parameters points to reduced sensitivity and altered damage repair dynamics as contributing to this evolved resistance. Our methodology has potential extrapolation to untested chemicals of ecological concern.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

Reducing impacts of artificial ponding in modeling salt marshes using a conductivity-formulated subgrid model

The landforms of salt marsh systems are rather complex, with meandering channel networks cutting through low-lying, extensive marsh platforms. Some small-scale topographic details are critical to flooding and draining processes but cannot be reflected in the Digital Elevation Model (DEM) due to limited measurement resolution and vegetation bias. Numerical models need a grid with high enough resolution to capture the small-scale connectivity to correctly model the small-scale flow processes, making the model computationally unaffordable. Here, in this study, we derived a subgrid model, which couples two flow components, one is the regular subgrid model for simulating the subgrid-resolved flows, and the other is a conductivity-formulated porous flow model for modeling small-scale gut flows unresolved at the subgrid level. The model validation was performed using an idealized case with a narrow slot that was unresolved in the coupled flow model. Model results were compared with a slot-resolved regular subgrid model where only surface flows are solved and suggested that, with a proper model parameterization, the coupled flow model is capable of reproducing flooding and draining processes similar to the slot-resolved subgrid model of surface flow. The model was applied to simulating flooding and draining processes in a meso-tidal salt marsh. The model results demonstrate that the coupled subgrid model can be used to reduce the impacts of artificial ponding that usually occur in numerical simulations of salt marshes with numerous narrow gullies and creeks.

54 ENVIRONMENTAL SCIENCES↗

Differences in Lightning—Storm Microphysical Relationships in Subtropical South America Versus the Continental U.S. and Their Impact on Model Lightning Parameterizations

Satellite studies have shown that some of the deepest convection with high lightning flash rates occurs downstream of the Andes in subtropical South America (SSA). Using high resolution ground‐based observations in SSA, we explore the relationship between lightning and radar‐inferred storm microphysics. Results show these storms have significantly larger 35‐dBZ volumes and more graupel per lightning flash compared to storms in the U.S. We then test microphysics‐based lightning parameterizations for storms in SSA on a 1‐km convection‐permitting simulation of a mesoscale convective system. Results from the simulation match well with observed flash rates. If parameterizations based on U.S. storms had been applied, flash rates would have been overestimated by a factor of eight. These results suggest that storms in SSA are fundamentally different compared to storms in the U.S., and caution should be exercised when applying microphysics‐based lightning parameterizations in different regions of the world.

54 ENVIRONMENTAL SCIENCES↗

A model-independent data assimilation (MIDA) module and its applications in ecology

Abstract. Models are an important tool to predict Earth system dynamics. An accurate prediction of future states of ecosystems depends on not only model structures but also parameterizations. Model parameters can be constrained by data assimilation. However, applications of data assimilation to ecology are restricted by highly technical requirements such as model-dependent coding. To alleviate this technical burden, we developed a model-independent data assimilation (MIDA) module. MIDA works in three steps including data preparation, execution of data assimilation, and visualization. The first step prepares prior ranges of parameter values, a defined number of iterations, and directory paths to access files of observations and models. The execution step calibrates parameter values to best fit the observations and estimates the parameter posterior distributions. The final step automatically visualizes the calibration performance and posterior distributions. MIDA is model independent, and modelers can use MIDA for an accurate and efficient data assimilation in a simple and interactive way without modification of their original models. We applied MIDA to four types of ecological models: the data assimilation linked ecosystem carbon (DALEC) model, a surrogate-based energy exascale earth system model: the land component (ELM), nine phenological models and a stand-alone biome ecological strategy simulator (BiomeE). The applications indicate that MIDA can effectively solve data assimilation problems for different ecological models. Additionally, the easy implementation and model-independent feature of MIDA breaks the technical barrier of applications of data–model fusion in ecology. MIDA facilitates the assimilation of various observations into models for uncertainty reduction in ecological modeling and forecasting.

58 GEOSCIENCES↗

The Ice Particle and Aggregate Simulator (IPAS). Part II: Analysis of a Database of Theoretical Aggregates for Microphysical Parameterization

Abstract Bulk ice-microphysical models parameterize the dynamic evolution of ice particles from advection, collection, and sedimentation through a cloud layer to the surface. Frozen hydrometeors can grow to acquire a multitude of shapes and sizes, which influence the distribution of mass within cloud systems. Aggregates, defined herein as the collection of ice particles, have a variety of formations based on initial ice particle size, shape, falling orientation, and the number of particles that collect. This work focuses on using the Ice Particle and Aggregate Simulator (IPAS) as a statistical tool to repetitively collect ice crystals of identical properties to derive bulk aggregate characteristics. A database of 9 744 000 aggregates is generated with resulting properties analyzed. After 150 single ice crystals (monomers) collect, the most extreme aggregate aspect ratio calculations asymptote toward and ϕ ca ≈ 0.50 for aggregates composed of quasi-horizontally oriented and randomly oriented monomers, respectively. The results presented are largely consistent with both a previous theoretical study and estimates derived from ground-based observations from two different geographic locations. Particle falling orientation highly influences newly formed aggregate aspect ratios from the collection of particles with extreme aspect ratios; quasi-horizontally oriented particles can produce aggregate aspect ratios an order of magnitude more extreme than randomly oriented particles but can also produce near-spherical aggregates as the number of monomers comprising the aggregate reach approximately 100. Finally, a majority of collections result in aggregates that are closer to prolate than oblate spheroids.

54 ENVIRONMENTAL SCIENCES↗

Improving High Resolution Offshore Wind Resource Assessments and Forecasts using Observations in the MA/RI Lease Areas

The third Wind Forecast Improvement Project (WFIP3) sought to improve understanding of the physical phenomena in the atmosphere and ocean that dictate the structure and variability of wind and thermodynamic fields within the Marine Atmospheric Boundary Layer (MABL). WFIP3 conducted a comprehensive 18-month observational study over the Northeast U.S. outer continental shelf, a high use coastal zone, using a 3-D multiscale sensor array to highly resolve the temporal, vertical, and horizontal structure of the coupled atmospheric and oceanic boundary layers. Multiple land-based study sites adjacent to the coastal ocean observed surface meteorology and vertical profiles of atmospheric properties via passive infrared and microwave radiometers, active lidars and radars, and radiosondes. At sea, an array of surface flux buoys and two vertical profiling lidar buoys observed both atmospheric and oceanic properties, augmented by land-based oceanographic radar systems and routine ship-based surveys. Intensive observations of the MABL over the ocean was done from an air-sea interaction flux tower and extended deployments of a large barge platform. WFIP3 focused on mesoscale and sub-mesoscale flows -- including sea breezes, low-level jets, low-level clouds, and coastal storms -- and the ability of advanced numerical model parameterizations to represent them within fully coupled oceanic and atmospheric modeling systems and foundational weather forecast models. Numerous critical forecasting phenomena were observed, however the project was terminated prior to the completion of the field observational period and the analysis period.

54 ENVIRONMENTAL SCIENCES↗

A unified parameterization of clouds and turbulence using CLUBB and subcolumns in the Community Atmosphere Model

Most global climate models parameterize separate cloud types using separate parameterizations. This approach has several disadvantages, including obscure interactions between parameterizations and inaccurate triggering of cumulus parameterizations. Alternatively, a unified cloud parameterization uses one equation set to represent all cloud types. Such cloud types include stratiform liquid and ice cloud, shallow convective cloud, and deep convective cloud. Vital to the success of a unified parameterization is a general interface between clouds and microphysics. One such interface involves drawing Monte Carlo samples of subgrid variability of temperature, water vapor, cloud liquid, and cloud ice, and feeding the sample points into a microphysics scheme. This study evaluates a unified cloud parameterization and a Monte Carlo microphysics interface that has been implemented in the Community Atmosphere Model (CAM) version 5.3. Model computational expense is estimated, and sensitivity to the number of subcolumns is investigated. Results describing the mean climate and tropical variability from global simulations are presented. The new model shows a degradation in precipitation skill but improvements in shortwave cloud forcing, liquid water path, long-wave cloud forcing, precipitable water, and tropical wave simulation.

54 ENVIRONMENTAL SCIENCES↗

A unified parameterization of clouds and turbulence using CLUBB and subcolumns in the Community Atmosphere Model

Most global climate models parameterize separate cloud types using separate parameterizations. This approach has several disadvantages, including obscure interactions between parameterizations and inaccurate triggering of cumulus parameterizations. Alternatively, a unified cloud parameterization uses one equation set to represent all cloud types. Such cloud types include stratiform liquid and ice cloud, shallow convective cloud, and deep convective cloud. Vital to the success of a unified parameterization is a general interface between clouds and microphysics. One such interface involves drawing Monte Carlo samples of subgrid variability of temperature, water vapor, cloud liquid, and cloud ice, and feeding the sample points into a microphysics scheme.This study evaluates a unified cloud parameterization and a Monte Carlo microphysics interface that has been implemented in the Community Atmosphere Model (CAM) version 5.3. Results describing the mean climate and tropical variability from global simulations are presented. The new model shows a degradation in precipitation skill but improvements in short-wave cloud forcing, liquid water path, long-wave cloud forcing, precipitable water, and tropical wave simulation. Also presented are estimations of computational expense and investigation of sensitivity to number of subcolumns.

58 GEOSCIENCES↗

Mesoscale modeling and semi-analytical approach for the microstructure-aware effective thermal conductivity of porous polygranular materials

Here we established a comprehensive modeling approach for investigating the microstructure-aware effective thermal conductivity ($κ_{eff}$) for porous microstructures containing solid particles and gaseous pores. Our approach combines the mesoscale computational modeling framework and the semi-analytical method, allowing for efficient prediction of $κ_{eff}$ for realistic porous microstructures, while considering complicated microstructural thermal conduction pathways effectively in the prediction. We used the diffuse-interface mesoscale computational model to generate extensive simulated $κ_{eff}$ data for realistic digital representations of microstructures with wide ranges of porosity ($f_p$), thermal conductivity of the gas phase ($κ_g$), and thermal conductivity of the solid phase ($κ_s$). From the simulated data, we identified two property variation regimes for $κ_{eff}$: (1) a slow $κ_{eff}$ increase for $κ_s ~ κ_g$; and (2) a faster $κ_{eff}$ increase for $κ_s \gg κ_g$. To capture the key features of the relationship between the microstructure and $κ_{eff}$, we derived a semi-analytical model by introducing structure and intensification factors. The two new factors incorporate the calibrated effective contribution of the solid volume with $κ_s$ and additional interfacial effects into the prediction of $κ_{eff}$, respectively, allowing for consideration of parallel, serial, and interfacial conduction mechanisms effectively. Using the selected simulation data, we quantified key model parameters within the semi-analytical model and verified that the parameterized model exhibits excellent agreement with simulated $κ_{eff}$ for the entire range of the parameter space.

36 MATERIALS SCIENCE↗