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At least 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Accurate assessment of land–atmosphere coupling in climate models requires high-frequency data output

Land–atmosphere (L–A) interactions are important for understanding convective processes, climate feedbacks, the development and perpetuation of droughts, heatwaves, pluvials, and other land-centered climate anomalies. Local L–A coupling (LoCo) metrics capture relevant L–A processes, highlighting the impact of soil and vegetation states on surface flux partitioning and the impact of surface fluxes on boundary layer (BL) growth and development and the entrainment of air above the BL. A primary goal of the Climate Process Team in the Coupling Land and Atmospheric Subgrid Parameterizations (CLASP) project is parameterizing and characterizing the impact of subgrid heterogeneity in global and regional Earth system models (ESMs) to improve the connection between land and atmospheric states and processes. A critical step in achieving that aim is the incorporation of L–A metrics, especially LoCo metrics, into climate model diagnostic process streams. However, because land–atmosphere interactions span timescales of minutes (e.g., turbulent fluxes), hours (e.g., BL growth and decay), days (e.g., soil moisture memory), and seasons (e.g., variability in behavioral regimes between soil moisture and latent heat flux), with multiple processes of interest happening in different geographic regions at different times of year, there is not a single metric that captures all the modes, means, and methods of interaction between the land and the atmosphere. And while monthly means of most of the LoCo-relevant variables are routinely saved from ESM simulations, data storage constraints typically preclude routine archival of the hourly data that would enable the calculation of all LoCo metrics. Here, we outline a reasonable data request that would allow for adequate characterization of sub-daily coupling processes between the land and the atmosphere, preserving enough sub-daily output to describe, analyze, and better understand L–A coupling in modern climate models. A secondary request involves embedding calculations within the models to determine mean properties in and above the BL to further improve characterization of model behavior. Higher-frequency model output will (i) allow for more direct comparison with observational field campaigns on process-relevant timescales, (ii) enable demonstration of inter-model spread in L–A coupling processes, and (iii) aid in targeted identification of sources of deficiencies and opportunities for improvement of the models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

A dissolution model of alite coupling surface topography and ions transport under different hydrodynamics conditions at microscale

Portland cement is the most produced material in the world. The hydration process of cement consists of a group of complex chemical reactions. In order to investigate the mechanism of cement hydration, it is vital to study the hydration of each phase separately. An integrated model is proposed in this paper to simulate the dissolution of alite under different hydrodynamic conditions at microscale, coupling Kinetic Monte Carlo model (KMC), Lattice Boltzmann method (LBM) and diffusion boundary layer (DBL). The dissolution of alite is initialised with KMC. Two Multiple-relaxation-time (MRT) LB models are used to simulate the fluid flow and transport of ions, respectively. For solid-liquid interface, DBL is adapted to calculate the concentration gradient and dissolution flux. The model is validated with experiment from literature. The simulation results show good agreements with the results published in the literature.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Near-term tropical cyclone risk and coupled Earth system model biases

Most current climate models predict that the equatorial Pacific will evolve under greenhouse gas–induced warming to a more El Niño-like state over the next several decades, with a reduced zonal sea surface temperature gradient and weakened atmospheric Walker circulation. Yet, observations over the last 50 y show the opposite trend, toward a more La Niña-like state. Recent research provides evidence that the discrepancy cannot be dismissed as due to internal variability but rather that the models are incorrectly simulating the equatorial Pacific response to greenhouse gas warming. This implies that projections of regional tropical cyclone activity may be incorrect as well, perhaps even in the direction of change, in ways that can be understood by analogy to historical El Niño and La Niña events: North Pacific tropical cyclone projections will be too active, North Atlantic ones not active enough, for example. Other perils, including severe convective storms and droughts, will also be projected erroneously. While it can be argued that these errors are transient, such that the models’ responses to greenhouse gases may be correct in equilibrium, the transient response is relevant for climate adaptation in the next several decades. Given the urgency of understanding regional patterns of climate risk in the near term, it would be desirable to develop projections that represent a broader range of possible future tropical Pacific warming scenarios—including some in which recent historical trends continue—even if such projections cannot currently be produced using existing coupled earth system models.

Science & Technology - Other Topics↗
DOE OSTI2025

The GFDL‐CM4X Climate Model Hierarchy, Part I: Model Description and Thermal Properties

We present the GFDL‐CM4X (Geophysical Fluid Dynamics Laboratory Climate Model version 4X) coupled climate model hierarchy. The primary application for CM4X is to investigate ocean and sea ice physics as part of a realistic coupled Earth climate model. CM4X utilizes an updated MOM6 (Modular Ocean Model version 6) ocean physics package relative to CM4.0, and there are two members of the hierarchy: one that uses a horizontal grid spacing of 0.25° (referred to as CM4X‐p25) and the other that uses a grid 0.125° (CM4X‐p125). CM4X also refines its atmospheric grid from the nominally 100 km (cubed sphere C96) of CM4.0–50 km (C192). Finally, CM4X simplifies the land model to allow for a more focused study of the role of ocean changes to global mean climate. CM4X‐p125 reaches a global ocean area mean heat flux imbalance of -0.02 W m -2 within $\mathcal{O}$ (150) years in a pre‐industrial simulation, and retains that thermally equilibrated state over the subsequent centuries. This 1850 thermal equilibrium is characterized by roughly 400 ZJ less ocean heat than present‐day, which corresponds to estimates for anthropogenic ocean heat uptake between 1870 and present‐day. CM4X‐p25 approaches its thermal equilibrium only after more than 1000 years, at which time its ocean has roughly 1100 ZJ more heat than its early 21st century ocean initial state. Furthermore, the root‐mean‐square sea surface temperature bias for historical simulations is roughly 20% smaller in CM4X‐p125 relative to CM4X‐p25 (and CM4.0). We offer the mesoscale dominance hypothesis for why CM4X‐p125 shows such favorable thermal equilibration properties.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Coupled Induction Machine and HVAC Models for Simulating HVAC Performance Considering Grid Dynamics in Buildings

This paper presents the development of novel models that integrate induction machines with HVAC equipment, such as pumps, heat pumps, and chillers, to analyze the impact of electrical parameters on the operational performance of thermo-fluid systems. The proposed model employs a coupling technique that captures the dynamic interactions between induction machines and HVAC systems. By integrating electrical, thermal, and mechanical dynamics, the models provide a comprehensive framework for simulating real-world scenarios, including interactions with the electrical grid. This achievement was made possible through the development of a Computationally Efficient and Accurate Induction Machine (CEAIM) model. Implemented using the equation-based Modelica language, the CEAIM model has been validated against experimental results, manufacturer data sheets, and various operating conditions. Its performance has been compared with existing induction machine models in the Modelica Standard Library (MSL), demonstrating superior accuracy and computational efficiency. The CEAIM model predicts torque, speed, and power consumption with a coefficient of determination (R 2 ) ranging from 0.98 to 1 and a coefficient of variation of root mean square error (CVRMSE) between 0.27% and 6.67%. Additionally, CEAIM scales more efficiently than conventional MSL models, with a slower computational growth rate in large-scale simulations. After thorough validation of the CEAIM model, it was coupled with HVAC equipment as this approach provides a detailed multi-dimensional view of capturing electrical transients and mechanical performance. To support this, a case study was conducted to showcase its capabilities.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Automated bidirectional coupling of multiscale models of aerosol dosimetry: Validation with subject-specific deposition data

Assessing the toxicity of airborne particulate matter or the efficacy of inhaled drug depends upon accurate estimates of deposited fraction of inhaled materials. In silico approaches can provide important insights into site- or airway-specific deposition of inhaled aerosols in the respiratory system. In this study, we improved on our recently developed 3D/1D model that simulate aerosol transport and deposition in the whole lung over multiple breath cycles. A subject-specific multiscale lung model of a healthy male subject using computational fluid-particle dynamics (CFPD) in a 3D model of the oral cavity through the large bronchial airways entering each lobe was bidirectionally coupled with a recently improved Multiple Path Particle Dosimetry (MPPD) model to predict aerosol deposition over the entire respiratory tract over multiple breaths for four conditions matching experimental aerosol exposures in the same subject from which the model was developed. These include two particle sizes (1 and 2.9 μm) and two subject-specific breathing rates of ~300 ml/s (slow breathing) and ~750 ml/s (fast breathing) at a target tidal volume of 1 L. In silico predictions of retained fraction were 0.31 and 0.29 for 1 μm and 0.66 and 0.62 for 2.9 μm during slow and fast breathing, respectively, and compared well with experimental data (1 μm: 0.31 ± 0.01 (slow) and 0.27 ± 0.01 (fast), 2.9 μm: 0.63 ± 0.03 (slow) and 0.68 ± 0.02 (fast)). Furthermore, these results provide a great deal of confidence in the validity and reliability of our approach.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

A Novel Multiphysics Multiscale Multiporosity Shale Gas Transport Model for Geomechanics/Flow Coupling in Steady and Transient States

Summary A novel multiphysics multiscale multiporosity shale gas transport (M3ST) model was developed to investigate shale gas transport in both transient and steady states. The microscale model component contains a kerogen domain and an inorganic matrix domain, and each domain has its own geomechanical and gas transport properties. Permeabilities of various shale cores were measured in the laboratory using a pulse decay permeameter (PDP) with different pore pressure and confining stress combinations. The PDP-measured apparent permeability as a function of pore pressure under two effective stresses was fitted using the microscale M3ST model component based on nonlinear least squares fitting (NLSF), and the fitted model parameters were able to provide accurate model predictions for another effective stress. The parameters and petrophysical properties determined in the steady state were then used in the transient-state, continuum-scale M3ST model component, which performed history matching of the evolutions of the upstream and downstream gas pressures. In addition, a double-exponential empirical model was developed as a powerful alternative to the M3ST model to fit laboratory-measured apparent permeability under various effective stresses and pore pressures. The developed M3ST model and the research findings in this study provided critical insights into the role of the multiphysics mechanisms, including geomechanics, fluid dynamics and transport, and the Klinkenberg effect on shale gas transport across different spatial scales in both steady and transient states.

Engineering↗
DOE OSTI2021

Structural color from a coupled nanowire pair beyond the bonding and antibonding model

Optical resonances in nanostructures can be harnessed to produce a wide range of structural colors. Conversely, the analysis of structural colors has been used to clarify the nature of optical resonances. Here, we show that silicon nanowire (NW) pairs can display a wide range of structural colors by controlling their radiative coupling. This is accomplished by exciting a series of Fabry–Pérot-like modes where light is repeatedly scattered between two NWs. These modes are beyond the expectation from the conventional chemical bonding model under a quasi-electrostatic approximation, in which only bonding and antibonding modes can be formed in a pair system through modal hybridization. The additional eigenmodes found in a two-resonator system originate from the nonlinear, frequency-dependent coupling strength derived from the radiative nature of low- Q resonators. The Fabry–Pérot modes can be tuned across the entire visible frequency range by varying the distance between two NWs, leading to what we believe is a new type of universal building blocks that can provide structural color within a subwavelength footprint. The presented results pave the way toward the design and usage of highly tunable resonances that exploit the radiative coupling of high-index nanostructures.

Li, Qitong↗
DOE OSTI2021

IMPLEMENTATION OF TURBULENCE MODELING FOR THE COUPLED GRIFFIN-PRONGHORN SIMULATION OF THE MOLTEN SALT FAST REACTOR FOR THE VIRTUAL TEST BED

In support of the Virtual Test Bed (VTB) repository, the Molten Salt Fast Reactor (MSFR) concept is modeled using MOOSE-based tools, notably Griffin and Pronghorn, employing newly implemented initial turbulence models and standard wall functions. The models are adapted to Pronghorn’s spirit of a multidimensional coarse-mesh intermediate fidelity code. Multiphysics simulations of a 2D axisymmetric model of an MSFR are carried out to study the coupling between the different physics.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

Prediction and Analysis of Utah FORGE Injection Activities using a Coupled Thermo-hydro-mechanical and Earthquake (THM+E) Modeling Workflow

A coupled thermo-hydro-mechanical (THM) numerical workflow that is capable of modeling seismic slip is critical for the successful development of enhanced geothermal systems (EGS). By integrating key physical processes, this workflow enables accurate simulation of temperature and pressure diffusions, stress changes, and induced seismicity. As a result, it serves as a vital tool for predicting induced seismicity and optimizing reservoir stimulation strategies. The Utah FORGE (Frontier Observatory for Research in Geothermal Energy) project, located near Milford, Utah, is a U.S. Department of Energy initiative aimed at advancing EGS technology. In April 2024, eight new stimulation stages (Stages 3R-10) were conducted in well 16A (injection well) subsequent to the first series of stimulation (Stages 1-3) performed in April, 2022. To monitor the induced seismicity, geophones were deployed in wells 58-32, 56-32, and 78B-32, while fiber optic cables were also installed in wells 16B, 78-32, and 78B-32 to collect microseismic data and detect frac hits Preliminary analyses of microseismic catalogs and fiber optic data suggest that the stimulated fractures in Stages 3R–6 closely align with that generated during Stage 3, indicating that the new stimulations were likely reactivating the previously stimulated fracture. To better understand the underlying process, a comprehensive modeling approach that can accurately capture thermal, hydrological, mechanical, and seismic responses is essential. In this work, we propose and utilize a coupled thermo-hydro-mechanical and earthquake (THM+E) simulation workflow to numerically investigate the stimulation activities on well 16A. The specific objective is to confirm whether the new stimulation stages (Stages 3R–6) reactivated fractures previously stimulated during Stage 3. For this purpose, we perform THM+E simulations individually for Stages 3, 3R, 4, and 5, incorporating the discrete fracture networks (DFNs) created by the plane-fitting technique based on the microseismic catalogs. The simulation workflow consists of two separate models: a THM model and an earthquake model, coupled in a one-way manner. Detailed descriptions of the workflow are provided in Section 3. Simulation results are presented in terms of injection pressure, permeability evolution, and predicted seismic catalogs, which are then compared with field data for further analyses. This report is structured as follows. In Section 2, we present detailed analyses of the field data and propose the hypothesis that the new stimulation stages (Stages 3R–6) were probably reactivating the previously stimulated fractures in Stage 3. In Section 3, we introduce the coupled THM+E workflow and the problem setup to validate our hypothesis, followed by the simulation results for each stage in Section 4. Meanwhile, discussions are included to analyze the model predictions and their comparison with field data. Lastly, we conclude the report and outline future plans in Section 5.

15 GEOTHERMAL ENERGY↗
DOE OSTI2026

Understanding Subseasonal Moisture Recycling from Extreme MCSs Using a Land–Atmosphere Coupled Water Tracer Model

Extreme precipitation events often produce severe flooding and pose significant threats to our society. However, their subseasonal impacts on the terrestrial and atmospheric systems are not well understood. Here, we use a new land–atmosphere coupled water tracer tool embedded in the Weather Research and Forecasting (WRF) Model to “tag” precipitation produced by a series of extreme mesoscale convective systems (MCSs) in May 2015 over the southern Great Plains to reveal their contributions to different terrestrial water storages and moisture recycling during May–July. During May, we find that precipitation from earlier MCSs can contribute to 20%–50% of total evapotranspiration (ET) in later May and contribute ∼10% of local precipitation for later MCSs. After May, the water “tagged” to preceding May MCS events has the most active contribution to moisture recycling during the first 5 days in June, but this contribution diminishes quickly afterward. Both periods indicate a quick turnover of tagged precipitation, which may be representative of the southern Great Plains region. The quick turnover is closely associated with the direct evaporation from the soil surface due to the predominant shrubland and grassland coverage over this region. Over some forested areas, however, the tracer-ET flux is dominated by transpiration that stably supplies a small fraction (<1%) of moisture to the atmosphere throughout June and July. In conclusion, the tracer-contributed plume (through evaporation and transpiration) in atmospheric moisture can extend 500–700 km downstream between May and July, highlighting the far-reaching contribution to moisture recycling and precipitation from the tagged MCS events in the southern Great Plains.

Atmosphere-land interaction↗
DOE OSTI2020

An implementation of the phase-field model based on coupled thermomechanical finite element solvers for large-strain twinning, explicit dynamic fracture and the classical Stefan problem

The implementation of a phase-field model in finite elements usually requires significant expertise and involves the development of a user element with additional degrees of freedom. An alternative implementation of the phase-field model within a thermo-mechanical finite element simulation package was presented in (Cho et al 2012 Int. J. Solids Struct. 49 1973–1992), where the phase-field variable is treated as the temperature degree of freedom. However, this approach has only been used for small strain phase-field modelling of martensitic transformations and quasistatic phase-field modelling of fracture. Here, we present a phase-field finite element implementation via the temperature degree of freedom for several additional cases from the literature: (i) the large-strain phase-field description of deformation twinning presented in (Clayton and Knap 2011 Physica D 240 841–858), (ii) phase-field description of brittle fracture with inertial effects based on the theory from (Molnár and Gravouil 2017, Finite Elem. Anal. Des. 130 27–38) and (Miehe et al 2010 Int. J. Numer. Methods Eng. 83 1273–1311) and (iii) the classical Stefan problem of solidification presented in (Mackenzie and Robertson 2002 J. Comput. Phys. 181 526–544). The last problem involves the temperature and phase-field variables as unknowns.

36 MATERIALS SCIENCE↗
DOE OSTI2023

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↗
DOE OSTI2021

Description and Demonstration of the Coupled Community Earth System Model v2 – Community Ice Sheet Model v2 (CESM2‐CISM2)

Abstract Earth system/ice‐sheet coupling is an area of recent, major Earth System Model (ESM) development. This work occurs at the intersection of glaciology and climate science and is motivated by a need for robust projections of sea‐level rise. The Community Ice Sheet Model version 2 (CISM2) is the newest component model of the Community Earth System Model version 2 (CESM2). This study describes the coupling and novel capabilities of the model, including: (1) an advanced energy‐balance‐based surface mass balance calculation in the land component with downscaling via elevation classes; (2) a closed freshwater budget from ice sheet to the ocean from surface runoff, basal melting, and ice discharge; (3) dynamic land surface types; and (4) dynamic atmospheric topography. The Earth system/ice‐sheet coupling is demonstrated in a simulation with an evolving Greenland Ice Sheet (GrIS) under an idealized high CO 2 scenario. The model simulates a large expansion of ablation areas (where surface ablation exceeds snow accumulation) and a large increase in surface runoff. This results in an elevated freshwater flux to the ocean, as well as thinning of the ice sheet and area retreat. These GrIS changes result in reduced Greenland surface albedo, changes in the sign and magnitude of sensible and latent heat fluxes, and modified surface roughness and overall ice sheet topography. Representation of these couplings between climate and ice sheets is key for the simulation of ice and climate interactions.

Muntjewerf, Laura↗
DOE OSTI2023

Transient Physical Modelling for the Coupling of a High Temperature Gas Reactor with Thermal Energy Storage

Improving the flexibility of nuclear reactors to meet fluctuating demand on grids with high renewable energy generation penetration is key to improving reactor economics. Economic optimization using the code HERON gives maximum profit of coupling high temperature gas reactors (HTGRs) to thermal energy storage (TES) systems in the configuration shown in Figure 1 when following the demand in Figure 3. We look to model the physics of operation for a HTGR-TES using the HYBRID library in the code Modelica.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Core-edge modeling of gyrokinetic turbulence by coupling the delta-f and total-f models in the XGC code

Whole device gyrokinetic turbulence is modeled using a delta-f model in the core coupled to a total-f model in the edge. This new model is implemented in the gyrokinetic code X-Point Included Gyrokinetic Code (XGC) and works within a single simulation. It employs a canonical Maxwellian background in the core and the usual local Maxwellian in the edge. These different core and edge backgrounds are coupled over an overlap region. A thermal-bath operator is used to keep δf small in the core.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Estimating Ocean Observation Impacts on Coupled Atmosphere‐Ocean Models Using Ensemble Forecast Sensitivity to Observation (EFSO)

Ensemble Forecast Sensitivity to Observation (EFSO) is a technique that can efficiently identify the beneficial/detrimental impacts of every observation in ensemble-based data assimilation (DA). While EFSO has been successfully employed on atmospheric DA, it has never been applied to ocean or coupled DA due to the lack of a suitable error norm for oceanic variables. This study introduces a new density-based error norm incorporating sea temperature and salinity forecast errors, making EFSO applicable to ocean DA for the first time. We implemented the oceanic EFSO on the CFSv2-LETKF and investigated the impact of ocean observations under a weakly coupled DA framework. By removing the detrimental ocean observations detected by EFSO, the CFSv2 forecasts were significantly improved, showing the validation of impact estimation and the great potential of EFSO to be extended as a data selection criterion.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Coupled magnetostructural continuum model for multiferroic BiFeO 3

Here, a continuum approach to study magnetoelectric multiferroic BiFeO 3 (BFO) is proposed. Our modeling effort marries the ferroelectric (FE) phase field method and micromagnetic simulations to describe the entire multiferroic order parameter sector (polarization, oxygen antiphase tilts, strain, and magnetism) self-consistently on the same time- and length scale. In this paper, we discuss our choice of FE and magnetic energy terms and demonstrate benchmarks against known behavior. We parametrize the lowest order couplings of the structural distortions against previous predictions from density functional theory calculations giving access to simulations of the FE domain wall (DW) topology. This allows us to estimate the energetic hierarchy and thicknesses of the numerous structural DWs. We then extend the model to the canted antiferromagnetic order and demonstrate how the FE domain boundaries influence the resulting magnetic DWs. We also highlight some capabilities of this model by providing two examples relevant for applications. We demonstrate spin-wave transmission through the multiferroic domain boundaries which identify rectification in qualitative agreement with recent experimental observations. As a second example of application, we model fully dynamical magnetoelectric switching, where we find a sensitivity on the Gilbert damping with respect to switching pathways. We envision that this modeling effort will set the basis for further work on properties of arbitrary 3D nanostructures of BFO (and related multiferroics) at the mesoscale.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗