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At least 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Evaluation of the interactive stratospheric ozone (O3v2) module in the E3SM version 1 Earth system model

Stratospheric ozone affects climate directly as the predominant heat source in the stratosphere and indirectly through chemical reactions controlling other greenhouse gases. The U.S. Department of Energy's Energy Exascale Earth System Model version 1 (E3SMv1) implemented a new ozone chemistry module that improves the simulation of the sharp tropopause gradients, replacing a version based partly on long-term average climatologies that poorly represented heating rates in the lowermost stratosphere. The new O3v2 module extends seamlessly into the troposphere and preserves the naturally sharp cross-tropopause gradient, with 20 %–40 % less ozone in this region. Additionally, O3v2 enables the diagnosis of stratosphere–troposphere exchange flux of ozone, a key budget term lacking in E3SMv1. Here, we evaluate key features in ozone abundance and other closely related quantities in atmosphere-only E3SMv1 simulations driven by observed sea surface temperatures (SSTs, years 1990–2014), comparing them with satellite observations of ozone and also with the University of California, Irvine chemistry transport model (UCI CTM) using the same stratospheric chemistry scheme but driven by European Centre forecast fields for the same period. In terms of stratospheric column ozone, O3v2 shows reduced mean bias and improved northern midlatitude variability, but it is not quite as good as the UCI CTM. As expected, SST-forced E3SMv1 simulations cannot synchronize with observed quasi-biennial oscillations (QBOs), but they do show the typical QBO pattern seen in column ozone. This new O3v2 E3SMv1 model mostly retains the same climate state and climate sensitivity as the previous version, and we recommend its use for other climate models that still use ozone climatologies.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Convex Relaxation of Grid-Connected Energy Storage System Models With Complementarity Constraints in DC OPF

Including complementarity constraints in energy storage system (ESS) models in optimization problems ensure an optimal solution will not produce a physically unrealizable control strategy where there is simultaneous charging and discharging. However, the current approaches to impose complementarity constraints require the use of non-convex optimization methods. Here, we propose a convex relaxation for a common ESS model that has terms for both charging and discharging based on a penalty reformulation for use in a model predictive control (MPC) based optimal power flow (DC OPF) problem. In this approach, the complementarity constraints are omitted and a penalty term is added to the optimization objective function. For the DC OPF problem, we provide analysis for the conditions under which the convex relaxation of the complementarity constraint ensures that a solution with simultaneous ESS charging and discharging operation is suboptimal. Simulation results demonstrating ESS behavior with and without the penalty reformulation are provided for an MPC-based DC OPF problem on multiple IEEE test systems.

25 ENERGY STORAGE↗
NASA NTRSDate not supplied

Combining Earth System Modeling and Machine Learning to Investigate Volcanic Sulfate Deposition in Polar Ice Cores

Volcanic eruptions emit large amounts of sulfur dioxide (SO2), water, and other chemicals into the atmosphere, both in the troposphere and the stratosphere. Most of the SO2 is converted to sulfate aerosol, which is eventually deposited following long-range transport. The deposits from large eruptions are potentially detectable in ice cores, but there are many cases in which sulfate layers have not been linked to their source volcanoes. As volcanoes can act as significant shocks to the global climate system, we are interested in locating these eruptions in order to increase understanding of the volcanic record. To narrow down the search, we performed 140 simulations of volcanic eruptions using the GISS ModelE Earth system model. We varied the latitude, longitude, Julian day, plume top, plume bottom, and injected SO2 and H2O amounts using a Latin hypercube sampling approach, and analyzed correlations between these parameters and sulfate depositions at ice core sites in Antarctica and Greenland. Using machine learning and parameter estimation, we generated probability distributions and maximum likelihood estimates for the parameters given sulfate deposition data, which can predict latitude with some skill. We find that the volcano latitude and SO2 content are best correlated with sulfate depositions at each pole, while longitude, Julian day, and H2O have small or insignificant effects. Plume altitude and thickness are important because they determine how much of the SO2 is injected into the stratosphere, which has implications for sulfur transport and lifetimes.

Earth system models↗
DOE OSTI2022

A Macroalgal Cultivation Modeling System (MACMODS): Evaluating the Role of Physical-Biological Coupling on Nutrients and Farm Yield

Offshore aquaculture has the potential to expand the macroalgal industry. However, moving into deeper waters requires suspended structures that will present novel farm-environment interactions. Here, we present a computational modeling framework, the Macroalgal Cultivation Modeling System (MACMODS), to explore within-farm modifications to light, seawater flow, and nutrient fields across time and space scales relevant to macroalgae. A regional ocean model informs the site-specific setting, the Santa Barbara Channel in the Southern California Bight. A fine-scale hydrodynamic model predicts modified flows and turbulent mixing within the farm. A spatially resolved macroalgal growth model, parameterized for giant kelp, Macrocystis pyrifera , predicts kelp biomass. Key findings from model integration are that regional ocean conditions set overall farm performance, while fine-scale within-farm circulation and nutrient delivery are important to resolve variation in within-farm macroalgal performance. Therefore, we conclude that models resolving within-farm dynamics can provide benefit to farmers with insight on how farm design and regional ocean conditions interact to influence overall yield. Here, the presence of repeating longlines aligned with the mean current generate flow diversions around the farm as well as attached Langmuir circulations and increased turbulence intensity. These flow-induced phenomena lead to less biomass in the interior portion of the farm relative to the edges. We also find that there is an effluent “footprint” that extends as much as 20 km beyond the farm. In this regard, MACMODS can be used to not only evaluate farm design and cultivation practices that maximize yield but also explore interactions between the farm and ecosystem in order to minimize impacts.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1971

Binder model system to be used for determination of prepolymer functionality

Development of a method for determining the functionality distribution of prepolymers used for rocket binders is discussed. Research has been concerned with accurately determining the gel point of a model polyester system containing a single trifunctional crosslinker, and the application of these methods to more complicated model systems containing a second trifunctional crosslinker, monofunctional ingredients, or a higher functionality crosslinker. Correlations of observed with theoretical gel points for these systems would allow the methods to be applied directly to prepolymers.

Martinelli, F. J.↗
DOE OSTI2023

Climate, Variability, and Climate Sensitivity of “Middle Atmosphere” Chemistry Configurations of the Community Earth System Model Version 2, Whole Atmosphere Community Climate Model Version 6 (CESM2(WACCM6))

Abstract Simulating whole atmosphere dynamics, chemistry, and physics is computationally expensive. It can require high vertical resolution throughout the middle and upper atmosphere, as well as a comprehensive chemistry and aerosol scheme coupled to radiation physics. An unintentional outcome of the development of one of the most sophisticated and hence computationally expensive model configurations is that it often excludes a broad community of users with limited computational resources. Here, we analyze two configurations of the Community Earth System Model Version 2, Whole Atmosphere Community Climate Model Version 6 (CESM2(WACCM6)) with simplified “middle atmosphere” chemistry at nominal 1 and 2° horizontal resolutions. Using observations, a reanalysis, and direct model comparisons, we find that these configurations generally reproduce the climate, variability, and climate sensitivity of the 1° nominal horizontal resolution configuration with comprehensive chemistry. While the background stratospheric aerosol optical depth is elevated in the middle atmosphere configurations as compared to the comprehensive chemistry configuration, it is comparable among all configurations during volcanic eruptions. For any purposes other than those needing an accurate representation of tropospheric organic chemistry and secondary organic aerosols, these simplified chemistry configurations deliver reliable simulations of the whole atmosphere that require 35% and 86% fewer computational resources at nominal 1 and 2° horizontal resolution, respectively.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Reducing Long‐Standing Surface Ozone Overestimation in Earth System Modeling by High‐Resolution Simulation and Dry Deposition Improvement

The overestimation of surface ozone concentration in low‐resolution global atmospheric chemistry and climate models has been a long‐standing issue. We first update the ozone dry deposition scheme in both high‐ (0.25°) and low‐resolution (1°) Community Earth System Model (CESM) version 1.3 runs, by adding the effects of leaf area index and correcting the sunlit and shaded fractions of stomatal resistances. With this update, 5‐year‐long summer simulations (2015–2019) using the low‐resolution CESM still exhibit substantial ozone overestimation (by 6.0–16.2 ppbv) over the U.S., Europe, eastern China, and ozone pollution hotspots. The ozone dry deposition scheme is further improved by adjusting the leaf cuticle conductance, reducing the mean ozone bias by 19%, and increasing the model resolution further reduces the ozone overestimation by 43%. We elucidate the mechanism by which model grid spacing influences simulated ozone, revealing distinctive pathways in urban versus rural areas. In rural areas, grid spacing mainly affects daytime ozone levels, where additional NO x emissions from nearby urban areas result in an ozone boost and overestimation in low‐resolution simulations. In contrast, over urban areas, daytime ozone overestimation follows a similar mechanism due to the influence of volatile organic compounds from surrounding rural areas. However, nighttime ozone overestimation is closely linked to weakened NO titration owing to the redistribution of urban NO x to rural areas. Additionally, stratosphere‐troposphere exchange may also contribute to reducing ozone bias in high‐resolution simulations, warranting further investigation. This optimized high‐resolution CESM may enhance understanding of ozone formation mechanisms, sources, and changes in a warming climate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Forced Patterns of Sea Level Rise in the Community Earth System Model Large Ensemble From 1920 to 2100

To provide context for observed sea level rise, the forced response (FR) in dynamic sea level (DSL) during the 20th and 21st centuries is examined in the Community Earth System Model Large Ensemble (LE). After accounting for simulation drift, which in the LE is sizable, the DSL FR is found to be complex, both in space and time. Its evolving character is suggested to arise from both the diversity and transient evolution of climate forcing agents and the slow adjustment timescales of the intermediate and deep oceans. Nonetheless, various intervals of spatially coherent change simulated for the recent past and near future are identified, and their characteristics and associated driving mechanisms are identified and discussed. The mid- to late-20th century DSL FR is characterized by an hemispherically asymmetric pattern of change, with depressed rates of rise in the northern oceans. There is also a dipole of change in the Southern Ocean caused by changes in near-surface zonal winds. Through the late 20th and early 21st centuries, a different pattern of rise emerges with elevated rates in the tropics and depressed rates at high latitudes. Zonal and interbasin variations characterize both intervals and involve the pattern and depth of anomalous ocean heat content storage and spatial contrasts in the expansion coefficient tied mainly to base state temperature, with greater rates of rise in warm regions per unit warming. Finally, the relative roles of surface flux and ocean convergence anomalies are examined.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Relative Controls of Vapor Pressure Deficit and Soil Water Stress on Canopy Conductance in Global Simulations by an Earth System Model

Climate change impacts drought and vapor pressure deficit (VPD) that critically influence land-atmosphere water vapor and CO 2 exchange. There is a lack of model-based global evaluation of the relative roles of the two types of water stresses in limiting canopy conductance (G c ). Using the Energy Exascale Earth System Model (E3SM), we conducted four land-atmosphere coupled simulations for the historical period with and without a plant hydraulics scheme (PHS) and under present-day and quadrupling of CO 2 concentrations. By fitting an empirical model of G c to the E3SM simulations, we evaluated the sensitivity of G c to water stresses caused by VPD and soil water (SW) in the growing season. The empirical model is based on a multiplicative algorithm that adjusts G c according to VPD, soil water saturation, and their interaction. Our results show positive trends of VPD over land during the historical period, with large differences between simulations with and without PHS. Despite the differences, a majority of land pixels that experience both SW and VPD stresses are in semi-arid and tropical savanna ecosystems. G c is more sensitive to VPD than SW in less than 20% of land pixels where the empirical model provides a good fit for the simulated G c . Ignoring SW and VPD interaction may underestimate the relative role of VPD on G c by as much as 28%. Including PHS accentuates SW stress limitation on G c by simulating wetter soil and higher ET that lower VPD. Elevated CO 2 reduces G c by increasing water use efficiency and ameliorates SW stress on G c .

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

STITCHES: a Python package to amalgamate existing Earth system model output into new scenario realizations

Understanding the interaction between humans and the Earth system is a computationally daunting task, with many possible approaches depending on resources available and questions of interest. For example, state-of-the-art impact models require decade-long time series of relatively high frequency, spatially resolved and often multiple variables representing climatic impact-drivers (Ruane et al., 2022). Most commonly these are derived from the outputs of detailed, computationally expensive Earth System Models (ESMs) run according to a standard, limited set of future scenarios, the latest being the SSP-RCPs run under CMIP6/ScenarioMIP (Eyring et al., 2016; O’Neill et al., 2016). At the time of writing, O’Neill et al. (2016) has been cited more than 1750 times and Eyring et al. (2016) more than 5000 times, highlighting the broad, general applications of this data. Often, however, impact modeling seeks to explore new scenarios that were not part of the ScenarioMIP protocol, and/or needs a larger set of initial condition ensemble members than are typically available to quantify the effects of ESM internal variability. In addition, the recognition that the human and Earth systems are fundamentally intertwined, and may feature potentially significant feedback loops, is making integrated, simultaneous modeling of the coupled human-Earth system increasingly necessary, if computationally challenging with most existing tools (Thornton et al., 2017). For impact modelers, climate model emulators can be the answer to meet both the needs of: 1) creating realizations for novel scenarios and 2) achieving a simplified, computationally tractable representation of ESM behavior in a coupled human-Earth system modeling framework. We proposed a new, comprehensive approach to such emulation of gridded, multivariate ESM outputs for novel scenarios without the computational cost of a full ESM, STITCHES (Tebaldi et al., 2022). The approach outlined in Tebaldi et al. (2022) should be extensible to future CMIP eras, although the STITCHES software at present is strictly focused on CMIP6/ScenarioMIP data hosted on Pangeo (https://gallery.pangeo.io/repos/pangeo-gallery/cmip6/). The corresponding STITCHES Python package uses existing archives of ESMs’ scenario experiments from CMIP6/ScenarioMIP to construct gridded, multivariate realizations of new scenarios provided by reduced complexity climate models (Hartin et al., 2015; Meinshausen et al., 2011; Smith et al., 2018), or to enrich existing initial condition ensembles. Its output provides the same characteristics as the emulated ESM output: multivariate (spanning potentially all variables that the ESM has saved), spatially resolved (down to the native grid of the ESM), and preserving the same high frequency as the original data. A new realization of multiple variables can be generated on the order of minutes with STITCHES, rather than the hours or sometimes days that ESMs require.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Important ice processes are missed by the Community Earth System Model (CESM) in Southern Ocean mixed–phase clouds: Bridging SOCRATES observations to model developments

Global climate models (GCMs) are challenged by difficulties in simulating cloud phase and cloud radiative effect over the Southern Ocean (SO). Some of the new generation GCMs predict too much liquid and too little ice in mixed-phase clouds. This misrepresentation of cloud phase in GCMs results in weaker negative cloud feedback over the SO and a higher climate sensitivity. Based on a model comparison with observational data obtained during the Southern Ocean Cloud Radiation and Aerosol Transport Experimental Study (SOCRATES), this study addresses a key uncertainty in the Community Earth System Model version 2 (CESM2) related to cloud phase, namely ice formation in pristine remote SO clouds. It is found that sea spray organic aerosols (SSOA) are the most important type of ice nucleating particles (INPs) over the SO with concentrations one order of magnitude higher than those of dust INPs based on measurements and CESM2 simulations. Secondary ice production (SIP) which includes riming splintering, rain droplet shattering, and ice-ice collisional fragmentation as implemented in CESM2 is the dominant ice production process in moderately cold clouds with cloud temperatures greater than –20°C. SIP enhances the in-cloud ice number concentrations (Ni) by 1-3 orders of magnitude and predicts more mixed-phase (with percentage occurrence increased from 15% to 21%), in better agreement with the observations. Finally, this study highlights the importance of accurately representing cloud phase over the pristine remote SO by considering the ice nucleation of SSOA and SIP processes, which are currently missing in most GCM cloud microphysics parameterizations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Climate response to off-equatorial stratospheric sulfur injections in three Earth system models – Part 2: Stratospheric and free-tropospheric response

The paper constitutes Part 2 of a study performing a first systematic inter-model comparison of the atmospheric responses to stratospheric aerosol injection (SAI) at various single latitudes in the tropics, as simulated by three state-of-the-art Earth system models – CESM2-WACCM6, UKESM1.0, and GISS-E2.1-G. Building on Part 1 (Visioni et al., 2023) we demonstrate the role of biases in the climatological circulation and specific aspects of the model microphysics in driving the inter-model differences in the simulated sulfate distributions. We then characterize the simulated changes in stratospheric and free-tropospheric temperatures, ozone, water vapor, and large-scale circulation, elucidating the role of the above aspects in the surface SAI responses discussed in Part 1. We show that the differences in the aerosol spatial distribution can be explained by the significantly faster shallow branches of the Brewer–Dobson circulation in CESM2, a relatively isolated tropical pipe and older tropical age of air in UKESM, and smaller aerosol sizes and relatively stronger horizontal mixing (thus very young stratospheric age of air) in the two GISS versions used. We also find a large spread in the magnitudes of the tropical lower-stratospheric warming amongst the models, driven by microphysical, chemical, and dynamical differences. These lead to large differences in stratospheric water vapor responses, with significant increases in stratospheric water vapor under SAI in CESM2 and GISS that were largely not reproduced in UKESM. For ozone, good agreement was found in the tropical stratosphere amongst the models with more complex microphysics, with lower stratospheric ozone changes consistent with the SAI-induced modulation of the large-scale circulation and the resulting changes in transport. In contrast, we find a large inter-model spread in the Antarctic ozone responses that can largely be explained by the differences in the simulated latitudinal distributions of aerosols as well as the degree of implementation of heterogeneous halogen chemistry on sulfate in the models. The use of GISS runs with bulk microphysics demonstrates the importance of more detailed treatment of aerosol processes, with contrastingly different stratospheric SAI responses to the models using the two-moment aerosol treatment; however, some problems in halogen chemistry in GISS are also identified that require further attention. Overall, our results contribute to an increased understanding of the underlying physical mechanisms as well as identifying and narrowing the uncertainty in model projections of climate impacts from SAI.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2018

Evaluating the WRF-Hydro Modeling System in Alaska

National Water Model (NWM) implemented operationally in August 2016 to improve hydrological prediction (OWP, 2017). (1) Four operational configurations (2) Only covers contiguous United States (US). NWM is instantiation of Weather Research and Forecasting model hydrological extension package (WRF-Hydro)(Gochis et al., 2013) coupled with Noah Land Surface Model with Multi-Parameterization options (Noah-MP)(Niu et al., 2011). WRF-Hydro is extensible, high-resolution hydrologic routing and streamflow modeling framework, coupling column land surface, terrain routing, and channel routing modules (NCAR, 2017). This project uses experimental version of WRF-Hydro in Alaska mimicking the NWM to: (1) Identify modeling challenges for NWM development in Alaska (2) Assess WRF-Hydro and NWM ability to represent unique hydrological processes of arctic regions and accurately predict high and low flow events (3) Examine impacts of assimilating Surface Water Ocean Topography (SWOT) (Biancamaria et al., 2016) observations to improve model initialization.

Hydrology↗
DOE OSTI2020

Pd3Ag(111) as a Model System for Hydrogen Separation Membranes: Combined Effects of CO Adsorption and Surface Termination on the Activation of Molecular Hydrogen

Abstract The co-adsorption of hydrogen and carbon monoxide on Pd 3 Ag(111) alloy surfaces has been studied as a model system for Pd-Ag alloys in membrane and catalysis applications using periodic density functional theory calculations (PW91-GGA). We explored the effects of Pd–Ag surface composition, since segregation of silver towards and away from the surface has been suggested to explain the experimentally observed changes in H 2 activation, CO inhibition and reactivity. We found that CO pre-adsorbed on the surface weakens the adsorption of H on Pd 3 Ag(111) alloy surfaces irrespective of whether the surface termination corresponds to the bulk Pd 3 Ag composition, or is purely Pd-terminated. A higher coverage of H with CO present is obtained for the Pd-terminated surface; this surface also exhibits a larger range of chemical potentials for co-adsorbed hydrogen and CO. The barrier for H 2 activation increases with increasing CO coverage, but the surface composition has the largest impact on H 2 activation at intermediate CO coverage. The results imply that Pd-based membranes with typically ~ 23 wt% Ag are less prone to CO poisoning if the surface becomes Pd-terminated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

ENSO Diversity and the Simulation of Its Teleconnections to Winter Precipitation Extremes Over the US in High Resolution Earth System Models

Abstract Accounting for the diversity in El Niño Southern Oscillation (ENSO)'s spatial pattern, with the novel ENSO longitudinal index (ELI), we evaluate the simulation of its teleconnections to US winter precipitation extremes by seven global high‐resolution (HR) Earth System Models (ESM). Six (four) HR ESMs simulate the observed increase in precipitation extremes over Southwest US (Southeast US) during ELI‐defined El Niño events better than their low‐resolution counterparts, which are low‐biased. The stronger ENSO‐dependence over the Southwest US and Southeast US in those models is associated with an improved simulation of moisture flux into the regions and/or storm track activity there. HR ESMs, however, generally overestimate the increase in precipitation extremes over the Pacific‐Northwest during La Niña events. Model bias there is associated with bias in moisture transport into the region during La Niña events, which is amplified by the enhanced vertical mass fluxes in HR.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Toward Energy-Efficient HPC: Insights from Power Profiling a Cloud-Resolving Earth System Model

Power is a fundamental constraint as supercomputing advances to exascale. Efficient operation within strict power budgets requires application-aware power management based on a detailed understanding of application-level power behavior. This work analyzes the Energy Exascale Earth System Model (E3SM) atmosphere component, SCREAM, on Perlmutter (NERSC) and Frontier (OLCF). We characterize power variation across inputs, concurrency levels, and power caps, evaluate the energy impact of code optimizations, and attribute energy within the code using a newly developed GPU energy model. Results show that SCREAM’s peak power remains stable during its core execution phase and decreases gradually as concurrency increases. Power capping experiments reveal a performance–energy "sweet spot". On Perlmutter, limiting GPU power to 50% of thermal design power (TDP) achieves up to 15% energy savings with a 7% performance penalty. On Frontier, a 40% TDP cap yields up to 10% energy savings with less than 10% performance loss. Code optimizations reduce SCREAM energy by shortening run time without increasing power. Modeling reveals a critical insight: data movement accounts for approximately 70% of SCREAM’s GPU energy. This fundamentally shifts the optimization focus from FLOPS to data transfer reduction for this class of applications, offering the most impactful strategy for improving energy efficiency. This work establishes a foundation for practical, application-aware power management at exascale.

Zhao, Zhengji [Lawrence Berkeley National Laborato↗