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At least 397 records · Page 22

Global Nitrogen Needs to Improve Wheat Yield Under Climate Change

Increasing global food demand will require more food production without further exceeding the planetary boundaries, while at the same time adapting to climate change. We used an ensemble of wheat simulation models, with improved yield traits from the highest-yielding wheat genotypes to quantify potential yield gains and associated N requirements. This was explored for current and climate change scenarios across representative sites of major world wheat producing regions. The improved yield traits increased yield by 16% with current N fertilizer applications under both current climate and mid-century climate change scenarios. To achieve the full yield potential, a 52% increase in global average yield under a mid-century high warming climate scenario (RCP8.5), fertilizer use would need to increase fourfold over current use, which would unavoidably lead to higher environmental impacts from wheat production. Our results show the need to improve soil N availability and N use efficiency, along with yield potential.

Nitrogen↗

The Role of Coupled Feedbacks in the Decadal Variability of the Southern Hemisphere Eddy-Driven Jet

The Southern Hemisphere summertime eddy-driven jet and storm tracks have shifted poleward over the recent few decades. In previous studies, explanations have mainly stressed the influence of external forcing in driving this trend. Here we examine the role of internal tropical SST variability in controlling the austral summer jet’s poleward migration, with a focus on interdecadal time scales. The role of external forcing and internal variability are isolated by using a hierarchy of Community Earth System Model version 1 (CESM1) simulations, including the pre-industrial control, large ensemble, and pacemaker runs. Model simulations suggest that in the early twenty-first century, both external forcing and internal tropical Pacific SST variability are important in driving a positive southern annular mode (SAM) phase and a poleward migration of the eddy-driven jet. Additionally, Tropical Pacific SST variability, associated with the negative phase of the interdecadal Pacific oscillation (IPO), acts to shift the jet poleward over the southern Indian and southwestern Pacific Oceans and intensify the jet in the southeastern Pacific basin, while external forcing drives a significant poleward jet shift in the South Atlantic basin. In response to both external forcing and decadal Pacific SST variability, the transient eddy momentum flux convergence belt in the middle latitudes experiences a poleward migration due to the enhanced meridional temperature gradient, leading to a zonally symmetric southward migration of the eddy-driven jet. This mechanism distinguishes the influence of the IPO on the midlatitude circulation from the dynamical impact of ENSO, with the latter mainly promoting the subtropical wave-breaking critical latitude poleward and pushing the midlatitude jet to higher latitudes.

54 ENVIRONMENTAL SCIENCES↗

Role of Tropical Variability in Driving Decadal Shifts in the Southern Hemisphere Summertime Eddy-Driven Jet

The Southern Hemisphere summertime eddy-driven jet and storm tracks have shifted poleward over the recent few decades. In previous studies, explanations have mainly stressed the influence of external forcing in driving this trend. Here we examine the role of internal tropical SST variability in controlling the austral summer jet’s poleward migration, with a focus on interdecadal time scales. The role of external forcing and internal variability are isolated by using a hierarchy of Community Earth System Model version 1 (CESM1) simulations, including the pre-industrial control, large ensemble, and pacemaker runs. Model simulations suggest that in the early twenty-first century, both external forcing and internal tropical Pacific SST variability are important in driving a positive southern annular mode (SAM) phase and a poleward migration of the eddy-driven jet. Tropical Pacific SST variability, associated with the negative phase of the interdecadal Pacific oscillation (IPO), acts to shift the jet poleward over the southern Indian and southwestern Pacific Oceans and intensify the jet in the southeastern Pacific basin, while external forcing drives a significant poleward jet shift in the South Atlantic basin. In response to both external forcing and decadal Pacific SST variability, the transient eddy momentum flux convergence belt in the middle latitudes experiences a poleward migration due to the enhanced meridional temperature gradient, leading to a zonally symmetric southward migration of the eddy-driven jet. This mechanism distinguishes the influence of the IPO on the midlatitude circulation from the dynamical impact of ENSO, with the latter mainly promoting the subtropical wave-breaking critical latitude poleward and pushing the midlatitude jet to higher latitudes.

54 ENVIRONMENTAL SCIENCES↗

Data and Scripts Associated with "Modeling Ecohydrological Responses of Vegetation to Urban Microclimates Using the E3SM Land Model"

This dataset supports the study of vegetation ecohydrological responses to urban microclimates using the land component of the Energy Exascale Earth System Model (ELM) at four urban sites in Knoxville, Tennessee, USA. It includes the model inputs, simulation outputs, and associated scripts for running ELM simulations and analyzing the resulting data. The Model_Inputs folder includes static surface data, satellite-derived phenology (i.e., leaf area index), and atmospheric forcing data used to drive ELM simulations. Detailed descriptions of these datasets are provided in Section 2.3.2 of the associated manuscript. The Model_Outputs folder contains simulation results for the baseline, treatment, and ensemble experiments. Outputs from the baseline and treatment simulations are provided as raw ELM NetCDF files. Because the raw outputs from the 4,000-member ensemble are prohibitively large, the ensemble results are provided as summarized CSV files, which also serve as the source data for Figure 5 of the associated manuscript. The Scripts folder contains three components: E3SM, the core codebase of the Energy Exascale Earth System Model (E3SM); elm-olmt, the Offline Land Model Testbed (OLMT) used to perform the simulations; and knoxville_elm, which contains the analysis scripts used to process model outputs and generate the figures and results presented in the associated manuscript. Additional information is provided in Scripts_readme.txt within the Scripts directory.

Lu, Xiaoman [ORNL] (ORCID:0000000306698780)↗

Linear Time-Invariant Models of a Large Cumulus Ensemble

Abstract Methods in system identification are used to obtain linear time-invariant state-space models that describe how horizontal averages of temperature and humidity of a large cumulus ensemble evolve with time under small forcing. The cumulus ensemble studied here is simulated with cloud-system-resolving models in radiative–convective equilibrium. The identified models extend steady-state linear response functions used in past studies and provide accurate descriptions of the transfer function, the noise model, and the behavior of cumulus convection when coupled with two-dimensional gravity waves. A novel procedure is developed to convert the state-space models into an interpretable form, which is used to elucidate and quantify memory in cumulus convection. The linear problem studied here serves as a useful reference point for more general efforts to obtain data-driven and interpretable parameterizations of cumulus convection.

Meteorology & Atmospheric Sciences↗

Mt. Pinatubo's Impacts on the GEOS Forecasting System

The eruption of Mount Pinatubo in June 1991 had dramatic effects on the global climate, introducing a sudden and extreme forcing on the radiative budget. In this presentation we analyze the effects of the Mt. Pinatubo eruption on the seasonal forecast performed with Goddard Earth Observing System (GEOS), an Earth System Model that includes a bulk aerosol model coupled to radiation and an interactive ocean.We performed three ten-member ensembles of 12-month simulations (June 1991-May 1992). These simulations were performed with a 0.5 longitude by 0.5 latitude horizontal resolution. Out of the three ensembles, one excludes the eruption, representing the control experiment. The other two ensembles include the eruption of Mt. Pinatubo, varying in the effective radius of the volcanic sulfate: one assumed the effective radius to be equal to 0.35 micron (as for tropospheric aerosol) and the other has the effective radius set to 0.6 micron (closer to natural observation). Through the analysis of the aerosol forcing results derived from the two assumptions, we can show how this forcing acts on the seasonal forecast system. In particular, we will focus on the impacts to the surface and ocean temperatures and precipitation.

Mukherjee, Nikita↗

Ettringite hysteresis under sorption from molecular simulations

Highlights: • Hybrid Grand Canonical Monte Carlo (GCMC) and Molecular Dynamics (MD) simulations are performed. • Anisotropic large strain coefficient of crystal shrinkage of ettringite is provided. • Entropy increases when ettringite converts into metaettringite. • Sorption-induced stress may lead to columns collapse upon drying. • H-bonds involving OH groups in columns play a role in hysteresis. The response of ettringite under sorption is critical for the utilization of this mineral as an energy storage material and to understand the concrete durability problems associated with ettringite formation. We report molecular simulations directly sampling the osmotic ensemble to understand the sorption processes and structural changes in ettringite-metaettringite transition. Desorption branch and sorption-induced volume changes from simulations agree with the experiments. The structural changes at low relative humidity are analyzed, revealing for the first time details of metaettringite structure. The reversibility under sorption observed experimentally is captured by simulation in the ettringite domain. The reversibility in the conversion of metaettringite into ettringite is not captured by the direct simulations in the osmotic ensemble due to the large volume changes associated with ettringite desorption. Finally, we discuss the role of hydrogen bonds on the hysteresis in ettringite.

36 MATERIALS SCIENCE↗

The Surface Energy Budget and Precipitation Efficiency for Convective Systems During TOGA, COARE, GATE, SCSMEX and ARM: Cloud-Resolving Model Simulations

A two-dimensional version of the Goddard Cumulus Ensemble (GCE) Model is used to simulate convective systems that developed in various geographic locations. Observed large-scale advective tendencies for potential temperature, water vapor mixing ratio, and horizontal momentum derived from field campaigns are used as the main forcing. By examining the surface energy budgets, the model results show that the two largest terms are net condensation (heating/drying) and imposed large-scale forcing (cooling/moistening) for tropical oceanic cases. These two terms arc opposite in sign, however. The contributions by net radiation and latent heat flux to the net condensation vary in these tropical cases, however. For cloud systems that developed over the South China Sea and eastern Atlantic, net radiation (cooling) accounts for about 20% or more of the net condensation. However, short-wave heating and long-wave cooling are in balance with each other for cloud systems over the West Pacific region such that the net radiation is very small. This is due to the thick anvil clouds simulated in the cloud systems over the Pacific region. Large-scale cooling exceeds large-scale moistening in the Pacific and Atlantic cases. For cloud systems over the South China Sea, however, there is more large-scale moistening than cooling even though the cloud systems developed in a very moist environment. though For three cloud systems that developed over a mid-latitude continent, the net radiation and sensible and latent heat fluxes play a much more important role. This means the accurate measurement of surface fluxes and radiation is crucial for simulating these mid-latitude cases.

Tao, W.-K.↗

Strengthening of Ocean Heat Uptake Efficiency Associated with the Recent Climate Hiatus

The rate of increase of global-mean surface air temperature (SAT(sub g)) has apparently slowed during the last decade. We investigated the extent to which state-of-the-art general circulation models (GCMs) can capture this hiatus period by using multimodel ensembles of historical climate simulations. While the SAT(sub g) linear trend for the last decade is not captured by their ensemble means regardless of differences in model generation and external forcing, it is barely represented by an 11-member ensemble of a GCM, suggesting an internal origin of the hiatus associated with active heat uptake by the oceans. Besides, we found opposite changes in ocean heat uptake efficiency (k), weakening in models and strengthening in nature, which explain why the models tend to overestimate the SAT(sub g) trend. The weakening of k commonly found in GCMs seems to be an inevitable response of the climate system to global warming, suggesting the recovery from hiatus in coming decades.

Climate hiatus↗

Effects of Forcing Differences and Initial Conditions on Inter-Model Agreement in the VolMIP Volc-Pinatubo-Full Experiment

This paper provides initial results from a multi-model ensemble analysis based on the volc-pinatubo-full experiment performed within the Model Intercomparison Project on the climatic response to Volcanic forcing (VolMIP) as part of the sixth phase of the Coupled Model Intercomparison Project (CMIP6). The volc-pinatubo-full experiment is based on an ensemble of volcanic forcing-only climate simulations with the same volcanic aerosol dataset across the participating models (the 1991–1993 Pinatubo period from the CMIP6-GloSSAC dataset). The simulations are conducted within an idealized experimental design where initial states are sampled consistently across models from the CMIP6-piControl simulation providing unperturbed preindustrial background conditions. The multi-model ensemble includes output from an initial set of six participating Earth system models (CanESM5, GISS-E2.1-G, IPSL-CM6A-LR, MIROC-E2SL, MPI-ESM1.2-LR and UKESM1). The results show overall good agreement between the different models on the global and hemispheric scales concerning the surface climate responses, thus demonstrating the overall effectiveness of VolMIP's experimental design. However, small yet significant inter-model discrepancies are found in radiative fluxes, especially in the tropics, that preliminary analyses link with minor differences in forcing implementation; model physics, notably aerosol–radiation interactions; the simulation and sampling of El Niño–Southern Oscillation (ENSO); and, possibly, the simulation of climate feedbacks operating in the tropics. We discuss the volc-pinatubo-full protocol and highlight the advantages of volcanic forcing experiments defined within a carefully designed protocol with respect to emerging modelling approaches based on large ensemble transient simulations. We identify how the VolMIP strategy could be improved in future phases of the initiative to ensure a cleaner sampling protocol with greater focus on the evolving state of ENSO in the pre-eruption period.

metadata↗

Global Modeling Activities and NAME

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

Schubert, Siegfried↗

Global Modeling Activities and NAME

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

Schubert, Siegfried↗

Cyclone Fani: the tug-of-war between regional warming and anthropogenic aerosol effects

Before Cyclone Amphan took place in 2020, Cyclone Fani (May 2019) is the strongest pre-monsoon cyclone in the Bay of Bengal (BOB) since 1991, killing 90 people in eastern India and Bangladesh while causing US$1.81 billion of damages. Fani developed during a period of high concentration of anthropogenic aerosols in the BOB with abnormally high sea surface temperature (SST), thereby presenting an opportunity to understand the compound effects of atmospheric aerosols and regional climate warming on a tropical cyclone. A quantitative attribution analysis was conducted using the Weather Research and Forecasting model with chemistry (WRF-Chem) run at the convection-permitting (4 km) grid spacing, accompanied by an ensemble of coarser-resolution simulations to quantify the uncertainty. The removal of post-1990 trends in the tropospheric variables and SST from WRF-Chem's initial conditions (IC) and boundary conditions (BC, including the lateral and lower boundary conditions) resulted in a reduction of cyclone precipitation by about 51% during the 5 d of April 28-May 2. The removal of tropospheric warming shows approximately twice as strong an effect on Fani (39% reduction in precipitation) as that of SST warming (22% reduction). When aerosol's direct and indirect effects were removed from the simulations, i.e., no aerosol influence on radiation and cloud microphysics, Fani initially strengthened but later weakened, as measured by geopotential height and precipitation amounts. These results suggest that aerosol and its interaction with the atmosphere acted to mitigate the strengthening effect of anthropogenic warming on Fani, but was not strong enough to entirely counteract it. Although the ensemble of coarser simulations appears to overestimate Cyclone Fani in terms of precipitation, the direction of the effects is in agreement with that obtained from the 4 km simulations. Given the increasing anthropogenic aerosols in the BOB, future attribution studies using more sophisticated dynamical aerosol models on BOB tropical cyclones are urged.

54 ENVIRONMENTAL SCIENCES↗

High-Resolution Comonomer Sequencing of Blocky Brominated Syndiotactic Polystyrene Copolymers Using 13C NMR Spectroscopy and Computer Simulations

This work demonstrates the first high-resolution comonomer sequencing of Blocky brominated syndiotactic polystyrene (sPS-co-sPS-Br) copolymers based on pentad assign- ments of the quaternary carbon region of the nuclear magnetic resonance spectrum. Copolymers containing p-bromostyrene (Br-Sty) units were prepared in matched sets using postpolymerization bromination methods carried out in the heterogeneous gel state (Blocky) and homogeneous solution state (Random). Quantitative information from the quaternary carbon spectra, heteronuclear multiple bond correlation spectroscopy, electronic structure calculations, and simulated statistically random copolymers was correlated to confirm the carbon resonance assignments for all 20 possible pentad comonomer sequences. Using the experimental pentad sequence prevalences, a computer code was developed to simulate chains with microstructures typical of each sample as a means to visually represent the copolymer blockiness with quantitative precision. Based on the microstructure and distribution of run lengths in these chains, the simulations revealed that the Blocky copolymers contain a high degree of blockiness. By comparing the run lengths in the simulated chains to the average number of styrene units in a crystalline segment of sPS (found by small-angle X-ray scattering), copolymer crystallizability was predicted. For the simulated Blocky B-21% (21 mol % Br-Sty) chain, the probability of randomly selecting a styrene unit in a crystallizable block was 25.8%, while that in the simulated Random R-18% was zero, in excellent agreement with the experimental crystallization behavior measured by differential scanning calorimetry. Additionally, these predictions confirmed that the simulated chains accurately represent the ensemble of chains in their respective copolymer samples. Furthermore, each simulated Blocky chain contained one or more long sPS blocks that paralleled the measured 38-40 styrene units spanning a crystalline segment within the sPS/CCl4 gel. This finding affirmed that the long sPS segments originated from the precise lamellar structure within the heterogeneous gel morphology (i.e., block length is correlated with lamellar thickness). Overall, the ability to tailor the copolymer microstructure through control of the semicrystalline gel morphology opens the door to synthesizing ordered copolymers by postpolymerization functionalization processes with unprecedented levels of compositional control.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dataset for manuscript "Equipartition and the temperature of maximum density of TIP4P/2005 water"

We simulate TIP4P/2005 water in the temperature range of 257 K to 318 K with time-steps 0.25, 0.50, 1.00, 2.00, and 4.00 fs. The density-temperature behavior obtained using 0.25 or 0.50 fs are in excellent agreement with each other but differ from those obtained using time-steps that have been shown earlier to lead to a breakdown of equipartition. The temperature of maximum density (TMD) is 277.15 K with time-step 0.25 or 0.50 fs, but is shifted to progressively lower values for longer time-steps, a trend that holds for different thermostat/barostat combinations. Enhancing the water-water dispersion interaction, as has been recommended for simulating disordered proteins in TIP4P/2005, degrades the description of the liquid-vapor phase envelope. We present a simple physically transparent reasoning to highlight the separation of the time-scales between translational and rotational motion. We also develop a metric, Chi, that we term the equipartition anomaly, to detect equipartition violations in simulations that include molecules that are treated as rigid objects. Calculating Chi is shown to be straightforward and sensitive to equipartition violations. A key takeaway from this study is that using sufficiently short time-steps (less than or equal to 0.5 fs) to preserve equipartition is essential for obtaining meaningful liquid water properties and for producing reliable simulation data, as correct-ensemble sampling is fundamental to ensure reproducibility across codes and simulation alogrithms. The included dataset provides the raw data used in the preparation of the graphs noted in the manuscript.

36 MATERIALS SCIENCE↗

CERESMIP: a climate modeling protocol to investigate recent trends in the Earth's Energy Imbalance

The Clouds and the Earth's Radiant Energy System (CERES) project has now produced over two decades of observed data on the Earth's Energy Imbalance (EEI) and has revealed substantive trends in both the reflected shortwave and outgoing longwave top-of-atmosphere radiation components. Available climate model simulations suggest that these trends are incompatible with purely internal variability, but that the full magnitude and breakdown of the trends are outside of the model ranges. Unfortunately, the Coupled Model Intercomparison Project (Phase 6) (CMIP6) protocol only uses observed forcings to 2014 (and Shared Socioeconomic Pathways (SSP) projections thereafter), and furthermore, many of the ‘observed' drivers have been updated substantially since the CMIP6 inputs were defined. Most notably, the sea surface temperature (SST) estimates have been revised and now show up to 50% greater trends since 1979, particularly in the southern hemisphere. Additionally, estimates of short-lived aerosol and gas-phase emissions have been substantially updated. These revisions will likely have material impacts on the model-simulated EEI. We therefore propose a new, relatively low-cost, model intercomparison, CERESMIP, that would target the CERES period (2000-present), with updated forcings to at least the end of 2021. The focus will be on atmosphere-only simulations, using updated SST, forcings and emissions from 1990 to 2021. The key metrics of interest will be the EEI and atmospheric feedbacks, and so the analysis will benefit from output from satellite cloud observation simulators. The Tier 1 request would consist only of an ensemble of AMIP-style simulations, while the Tier 2 request would encompass uncertainties in the applied forcing, atmospheric composition, single and all-but-one forcing responses. We present some preliminary results and invite participation from a wide group of models.

54 ENVIRONMENTAL SCIENCES↗

CERESMIP: A Climate Modeling Protocol to Investigate Recent Trends in the Earth's Energy Imbalance

The Clouds and the Earth's Radiant Energy System (CERES) project has now produced over two decades of observed data on the Earth's Energy Imbalance (EEI) and has revealed substantive trends in both the reflected shortwave and outgoing longwave top-of-atmosphere radiation components. Available climate model simulations suggest that these trends are incompatible with purely internal variability, but that the full magnitude and breakdown of the trends are outside of the model ranges. Unfortunately, the Coupled Model Intercomparison Project (Phase 6) (CMIP6) protocol only uses observed forcings to 2014 (and Shared Socioeconomic Pathways (SSP) projections thereafter), and furthermore, many of the ‘observed' drivers have been updated substantially since the CMIP6 inputs were defined. Most notably, the sea surface temperature (SST) estimates have been revised and now show up to 50% greater trends since 1979, particularly in the southern hemisphere. Additionally, estimates of short-lived aerosol and gas-phase emissions have been substantially updated. These revisions will likely have material impacts on the model-simulated EEI. We therefore propose a new, relatively low-cost, model intercomparison, CERESMIP, that would target the CERES period (2000-present), with updated forcings to at least the end of 2021. The focus will be on atmosphere-only simulations, using updated SST, forcings and emissions from 1990 to 2021. The key metrics of interest will be the EEI and atmospheric feedbacks, and so the analysis will benefit from output from satellite cloud observation simulators. The Tier 1 request would consist only of an ensemble of AMIP-style simulations, while the Tier 2 request would encompass uncertainties in the applied forcing, atmospheric composition, single and all-but-one forcing responses. We present some preliminary results and invite participation from a wide group of models.

CMIP6↗

Visual HPC Workflows for the Analysis of System Dynamics Models

Visual analytics supported by high performance computing (HPC) accelerates and enhances the discovery, exploration, and analysis of causal patterns in complex system dynamics (SD) models. We present a suite of visualization-assisted ensemble-based techniques for hypothesis generation and testing, and for sensitivity analysis. By employing HPC to provide parallel, on-demand simulation of SD models, one can “steer” an ensemble of simulated scenarios in real time as one first formulates and then informally tests those hypotheses: this provides rapid feedback for analysts to refine their understanding of the causal relationships emergent from a model. Such understandings can be followed and augmented by rigorous application of statistical methods, namely global variance-based sensitivity analysis, Monte-Carlo filtering, adaptive regional sensitivity analysis, and self-organized maps: here timely computation relies on HPC, while effective presentation emphasizes high-dimensional multivariate data visualization. Immersive visualization in virtual 3D environments provides an excellent adjunct to the traditional 2D graphics typically used for SD models, as it generates an embodied understanding of model behavior and facilitates an active, collaborative critique of model structure and output. Finally, we summarize prospects for HPC-enabled visual analytics applied to SD modeling.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗