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At least 217 records · Page 12

Isotope effects in supercooled H 2 O and D 2 O and a corresponding-states-like rescaling of the temperature and pressure

Water shows anomalous properties that are enhanced upon supercooling. The unusual behavior is observed in both H 2 O and D 2 O, however, with different temperature dependences for the two isotopes. It is often noted that comparing the properties of the isotopes at two different temperatures (i.e., a temperature shift) approximately accounts for many of the observations—with a temperature shift of 7.2 K in the temperature of maximum density being the most well-known example. However, the physical justification for such a shift is unclear. Motivated by recent work demonstrating a “corresponding-states-like” rescaling for water properties in three classical water models that all exhibit a liquid–liquid transition and critical point, the applicability of this approach for reconciling the differences in the temperature- and pressure-dependent thermodynamic properties of H 2 O and D 2 O is investigated here. Utilizing previously published data and equations-of-state for H 2 O and D 2 O, we show that the available data and models for these isotopes are consistent with such a low temperature correspondence. These observations provide support for the hypothesis that a liquid–liquid critical point, which is predicted to occur at low temperatures and high pressures, is the origin of many of water’s anomalies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A water-vapor radiometer error model

The water-vapor radiometer (WVR) is used to calibrate unpredictable delays in the wet component of the troposphere in geodetic microwave techniques such as very-long-baseline interferometry (VLBI) and Global Positioning System (GPS) tracking. Based on experience with Jet Propulsion Laboratory (JPL) instruments, the current level of accuracy in wet-troposphere calibration limits the accuracy of local vertical measurements to 5-10 cm. The goal for the near future is 1-3 cm. Although the WVR is currently the best calibration method, many instruments are prone to systematic error. In this paper, a treatment of WVR data is proposed and evaluated. This treatment reduces the effect of WVR systematic errors by estimating parameters that specify an assumed functional form for the error. The assumed form of the treatment is evaluated by comparing the results of two similar WVR's operating near each other. Finally, the observability of the error parameters is estimated by covariance analysis.

Beckman, B.↗

Oxidized Sulfur Species in Slab Fluids as a Source of Enriched Sulfur Isotope Signatures in Arcs

Recycling of oxidized sulfur from subducting slabs to the mantle wedge provides simultaneous explanations for the elevated oxygen fugacity (fO 2 ) in subduction zones, their high hydrothermal and magmatic sulfur outputs, and the enriched sulfur isotopic signatures (i.e., δ 34 S > 0‰) of these outputs. However, a quantitative understanding of the abundance and speciation of sulfur in slab fluids consistent with high pressure experiments is lacking. Here we analyze published experimental data for anhydrite solubility in H 2 O-NaCl solutions to calibrate a high-pressure aqueous speciation model of sulfur within the framework of the deep earth water model. We characterize aqueous complexes, required to account for the high experimental anhydrite solubilities. We then use this framework to predict the speciation and solubility of sulfur in chemically complex fluids in equilibrium with model subducting mafic and ultramafic lithologies, from 2 to 3 GPa and 400 to 800°C at log fO 2 from FMQ-2 to FMQ+4. We show that sulfate complexes of calcium and sodium markedly enhance the stability of sulfate in moderately oxidized fluids in equilibrium with pyrite at fO 2 conditions of FMQ+1 to +2, causing large sulfur isotope fractionations up to 10‰ in the fluid relative to the slab. Such fluids could impart oxidized, sulfur-rich and high δ 34 S signatures to the mantle wedge that are ultimately transferred to arc magmas, without the need to invoke 34 S-rich subducted lithologies.

58 GEOSCIENCES↗

Acidification in the Southern Ocean – current state and future challenges

The Southern Ocean is especially sensitive to ocean acidification, a process where carbon dioxide in the atmosphere is absorbed by the ocean, thereby changing its acidity levels. Observations show that open ocean waters across the Southern Ocean experienced faster rates of acidification over the past four decades than non-polar waters. Model simulations project more severe ocean acidification in Antarctic coastal waters than in the open ocean. Ocean acidification negatively impacts many Southern Ocean species, but our understanding of whole-ecosystem impacts is incomplete. Furthermore, it is important that we both maintain and expand observational capabilities and mechanistic experiments in this rapidly changing and vulnerable region of the ocean to understand the impacts of ocean acidification on Southern Ocean ecosystems.

Nissen, Cara [University of Amsterdam (The Netherl↗

An Assessment of the Influence of Uncertainty in Temporally Evolving Streamflow Forecasts on Riverine Inundation Modeling

Continental-scale river forecasting platforms forecast streamflow at reaches that can be used as boundary conditions to drive a local-scale flood inundation model. Uncertainty accumulated during this process stems not only from any part of the forecasting chain but can also be caused by the daily variations in weather forcing that keeps evolving as the event advances. This work aims to examine the influence of the evolving forecast streamflow on predicting the maximum inundation for extreme floods. A diagnostic case study was made on the basis of a hindcast of Hurricane Matthew striking the eastern U.S. in 2016. The U.S. National Water Model was one-way coupled to a hydrodynamic inundation model through a developed automated workflow. Although the river forcing has significantly mismatched hydrographs versus observations, the simulated peak water surface elevations and maximum extents were validated to be comparable with the observations, which indicates that the inundation model may not be sensitive to the inherited uncertainty from the weather forcing. Moreover, the uncertainty of the forecast streamflow time series caused only one order of magnitude fewer variations in inundation prediction; this dampening effect may become clearer for extreme events with large areas inundated. In addition, the forecast total volume of stream discharge appears to be an important metric for assessing the performance of river forcing for inundation mapping, as a linear correlation between the total volume and the accuracy of the predicted peak water surface elevation and maximum extent was found, with the coefficients of determination all above 0.8. Extra best-practice experience of running similar operational tasks demonstrated the tradeoff between the cost and accuracy gain.

flood, national water model, RIFT↗

A cloud, precipitation and electrification modeling effort for COHMEX

In mid-1987, the Modeling Group of the Institute of Atmospheric Sciences (IAS) began to simulate and analyze cloud runs that were made during the Cooperative Huntsville Meteorological Experiment (COHMEX) Project and later. The cloud model was run nearly every day during the summer 1986 COHMEX Project. The Modeling Group was then funded to analyze the results, make further modeling tests, and help explain the precipitation processes in the Southeastern United States. The main science objectives of COHMEX were: (1) to observe the prestorm environment and understand the physical mechanisms leading to the formation of small convective systems and processes controlling the production of precipitation; (2) to describe the structure of small convective systems producing precipitation including the large and small scale events in the environment surrounding the developing and mature convective system; (3) to understand the interrelationships between electrical activity within the convective system and the process of precipitation; and (4) to develop and test numerical models describing the boundary layer, tropospheric, and cloud scale thermodynamics and dynamics associated with small convective systems. The latter three of these objectives were addressed by the modeling activities of the IAS. A series of cloud modes were used to simulate the clouds that formed during the operational project. The primary models used to date on the project were a two dimensional bulk water model, a two dimensional electrical model, and to a lesser extent, a two dimensional detailed microphysical cloud model. All of the models are based on fully interacting microphysics, dynamics, thermodynamics, and electrical equations. Only the 20 July 1986 case was analyzed in detail, although all of the cases run during the summer were analyzed as to how well they did in predicting the characteristics of the convection for that day.

Orville, Harold D.↗

Use of GRACE Terrestrial Water Storage Retrievals to Evaluate Model Estimates by the Australian Water Resources Assessment System

Terrestrial water storage (TWS) estimates retrievals from the Gravity Recovery and Climate Experiment (GRACE) satellite mission were compared to TWS modeled by the Australian Water Resources Assessment (AWRA) system. The aim was to test whether differences could be attributed and used to identify model deficiencies. Data for 2003 2010 were decomposed into the seasonal cycle, linear trends and the remaining de-trended anomalies before comparing. AWRA tended to have smaller seasonal amplitude than GRACE. GRACE showed a strong (greater than 15 millimeter per year) drying trend in northwest Australia that was associated with a preceding period of unusually wet conditions, whereas weaker drying trends in the southern Murray Basin and southwest Western Australia were associated with relatively dry conditions. AWRA estimated trends were less negative for these regions, while a more positive trend was estimated for areas affected by cyclone Charlotte in 2009. For 2003-2009, a decrease of 7-8 millimeter per year (50-60 cubic kilometers per year) was estimated from GRACE, enough to explain 6-7% of the contemporary rate of global sea level rise. This trend was not reproduced by the model. Agreement between model and data suggested that the GRACE retrieval error estimates are biased high. A scaling coefficient applied to GRACE TWS to reduce the effect of signal leakage appeared to degrade quantitative agreement for some regions. Model aspects identified for improvement included a need for better estimation of rainfall in northwest Australia, and more sophisticated treatment of diffuse groundwater discharge processes and surface-groundwater connectivity for some regions.

van Dijk, A. I. J. M.↗

Modelling TOVS radiances of synoptic systems

Two operational analysis models, produced by ECMWF and NMC, are compared against observed satellite radiances by converting the analyzed variables into synthetic radiances using a radiative transfer model (RTM). Observed TOVS satellite radiances are used as a ground truth, since they are the only source of continuous, synoptic-scale resolution observations available over the data-sparse tropical Pacific Ocean. It is assumed that if the analysis models correctly simulate atmospheric conditions, the observed and modelled radiance fields will have similar patterns and magnitudes. In each of seven TOVS channels examined, the mean temperature difference between the models was small, but the differences between the models and the observations were large. The mean temperature difference within each channel was larger than the standard deviation in most cases. The moisture channels of the RTM were sensitive to changes in moisture content, but none of the channels were significantly affected by changes in temperature. Single-day modelled radiance analyses contain synoptic information similar to the satellite observations. ECMWF is often too noisy, producing features not verified by the satellite; NMC is often too smooth. NMC more closely resembles the TOVS contours. Modelled water vapor channel analyses resemble observed monthly and composited observations well, but do not accurately reproduce the highly-variable single-day fields. ECMWF generally has more accurate gradients. Neither model simulates the tropics well. The water vapor channels, especially channel eleven (weighted at 700 mb), most closely resembled the tropical plume composite described by McGuirk and Ulsh. The only plume evidence found in the thermal or microwave channels, in either the observations or the models, was a composite trough situated in the correct location, extending from the mid-latitudes into the subtropics. This feature was not readily discernable until the definition and mature stages. Additional information besides the modelled temperatures would be required to produce an accurate forecast for the tropics. Model patterns more closely resembled the observations in the quiescent atmosphere, though the magnitudes were not any closer. ECMWF simulates the TOVS quiescent state better than NMC. The moisture channels continue to present the most realistic patterns. The models contained more detail in the tropics than was verified by the satellite observations, apparently trying to force an active ITCZ. Lag correlations showed TOVS to be more persistent than the models. TOVS also showed a smoother lag trend, but all products appeared to have adequate ability to react to changes in the atmosphere over time.

Coe, Thomas Eddy↗

Physical and mathematical modelling of ladle metallurgy operations

Experimental measurements are reported, on the velocity fields and turbulence parameters on a water model of an argon stirred ladle. These velocity measurements are complemented by direct heat transfer measurements, obtained by studying the rate at which ice rods immersed into the system melt, at various locations. The theoretical work undertaken involved the use of the turbulence Navier-Stokes equations in conjunction with the kappa-epsilon model to predict the local velocity fields and the maps of the turbulence parameters. Theoretical predictions were in reasonably good agreement with the experimentally measured velocity fields; the agreement between the predicted and the measured turbulence parameters was less perfect, but still satisfactory. The implications of these findings to the modelling of ladle metallurgical operations are discussed.

El-Kaddah, N.↗

Comparing the Performance of Julia on CPUs versus GPUs and Julia-MPI versus Fortran-MPI: a case study with MPAS-Ocean (Version 7.1)

Abstract. Some programming languages are easy to develop at the cost of slow execution, while others are fast at runtime but much more difficult to write. Julia is a programming language that aims to be the best of both worlds – a development and production language at the same time. To test Julia's utility in scientific high-performance computing (HPC), we built an unstructured-mesh shallow water model in Julia and compared it against an established Fortran-MPI ocean model, the Model for Prediction Across Scales–Ocean (MPAS-Ocean), as well as a Python shallow water code. Three versions of the Julia shallow water code were created: for single-core CPU, graphics processing unit (GPU), and Message Passing Interface (MPI) CPU clusters. Comparing identical simulations revealed that our first version of the Julia model was 13 times faster than Python using NumPy, where both used an unthreaded single-core CPU. Further Julia optimizations, including static typing and removing implicit memory allocations, provided an additional 10–20× speed-up of the single-core CPU Julia model. The GPU-accelerated Julia code was almost identical in terms of performance to the MPI parallelized code on 64 processes, an unexpected result for such different architectures. Parallelized Julia-MPI performance was identical to Fortran-MPI MPAS-Ocean for low processor counts and ranges from 2× faster to 2× slower for higher processor counts. Our experience is that Julia development is fast and convenient for prototyping but that Julia requires further investment and expertise to be competitive with compiled codes. We provide advice on Julia code optimization for HPC systems.

54 ENVIRONMENTAL SCIENCES↗

Remote Sensing-Driven Hydrodynamic Modeling in Data-Scarce Regions: Integrating ICESat-2, Sentinel-2, SWOT and Re-analysis Models for Coastal Monitoring

Hydrodynamic models in coastal and estuarine systems are typically constrained by sparse bathymetry, boundary, and validation data, especially in regions where field campaigns are costly or impractical. Here we develop and test a fully satellite-driven framework for hydrodynamic modeling in South Africa’s Langebaan Lagoon without using any local in situ measurements. Bathymetry is derived by training multispectral Sentinel-2 reflectance against ICESat-2 ATL24 photon-derived depths using an XGBoost model optimized with Bayesian search. The final satellite-derived bathymetry reproduces independent ATL24 points with RMSE = 0.45 m and R 2 = 0.97. This bathymetry was used in a depth-averaged Delft3D Flexible Mesh model driven at the open boundary by TPXO tidal harmonics and by ERA5 winds. We validate modeled water surface elevation against 16 SWOT low-rate (250 m, unsmoothed) passes in 2023. SWOT–model comparisons yield an overall RMSE of 0.11 m and R 2 = 0.61, with typical point differences <0.10 m (∼7% of the 1.5 m tidal range), and showed consistent spatial gradients in water level from the offshore boundary, through Saldanha Bay, and into the lagoon. At the offshore boundary, TPXO and SWOT sea surface heights agree closely (R 2 = 0.86). A simple phase adjustment of ∼26,min between TPXO and SWOT lowers the RMSE from 0.18,m to 0.11,m, showing that phase offset accounts for some of the discrepancy, with additional errors likely linked to non-tidal signals. Our results demonstrate that combining passive optical, photon-counting LiDAR, radar interferometry, and global tidal/atmospheric models enables robust, transferrable hydrodynamic modeling in data-scarce coastal systems, offering a cost-effective pathway for monitoring.

ICESat-2↗

Influence of the Dielectric Constant on the Ionic Current Rectification of Bipolar Nanopores

In this paper, we investigate how the dielectric constant, ϵ, of an electrolyte solvent influences the current rectification characteristics of bipolar nanopores. It is well recognized that bipolar nanopores with two oppositely charged regions rectify current when exposed to an alternating electric potential difference. Here, we consider dilute electrolytes with NaCl only and with a mixture of NaCl and charged nanoparticles. These systems are studied using two levels of description, all-atom explicit water molecular dynamics (MD) simulations and coarse-grained implicit solvent MD simulations. The charge density and electric potential profiles and current-voltage relationship predicted by the implicit solvent simulations with ϵ = 11.3 show good agreement with the predictions from the explicit water simulations. Under nonequilibrium conditions, the predictions of the implicit solvent simulations with a dielectric constant closer to the one of bulk water are significantly different from the predictions obtained with the explicit water model. Further, these findings are closely aligned with experimental data on the dielectric constant of water when confined to nanometric spaces, which suggests that ϵ decreases significantly compared to its value in the bulk. Moreover, the largest electric current rectification is observed in systems containing nanoparticles when ϵ = 78.8. Using enhanced sampling, we have shown that this larger rectification arises from the presence of a significantly deeper minimum in the free energy of the system with a larger ϵ, and when a negative voltage bias is applied. Since implicit solvent models and mean-field continuum theories are often used to design Janus membranes based on bipolar nanopores, this work highlights the importance of properly accounting for the effects of confinement on the dielectric constant of the electrolyte solvent. The results presented here indicate that the dielectric constant in implicit solvent simulations may be used as an adjustable parameter to approximately account for the effects of nanometric confinement on aqueous electrolyte solvents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Understanding the Water Cycle Above the North Polar Cap on Mars Using MRO CRISM Retrievals of Water Vapor

The north polar cap (NPC) on Mars is the major reservoir of atmospheric water (H2O) currently on Mars. The retrieval and monitoring of atmospheric water vapor abundance are crucial for tracking the cycle of water above the NPC. The Compact Reconnaissance Imaging Spectrometer for Mars (CRISM) aboard the Mars Reconnaissance Orbiter (MRO) has provided a wealth of data that extend over 5 + Martian years, covering the time period between 2006 and 2016. CRISM is ideally suited for spring and summer observations of the north polar region (latitudes poleward of 60 °N). The retrievals of water vapor column abundances over this extended period of time were performed over both ice-free and water ice covered surfaces, extending the coverage of the water vapor maps to include the permanent cap, where a maximum value of 90 precipitable micrometers (pr–µm) is retrieved, as compared to 60 pr–µm over ice-free regions in the North Polar Region. Away from summertime maximum, modest interannual variability in the water vapor abundance is observed. Zonal averages over all the observed Martian years combined show a developing water front that shifts northward towards summer, before dissipating over the permanent cap during mid-summer. A prominent feature at latitudes around 75 °N shows large abundances of water vapor, indicating a water vapor annulus encircling the retreating edge of the seasonal polar cap during late spring. Meridional transport of water modeled here show that the annulus may be a result of the convergence of water vapor from both south and north along the retreating edge of the NPC.

Khayat, Alain S. J.↗

Possible role of NO3 in the nighttime chemistry of a cloud

The NO3 radical in the aqueous phase is a strong oxidizing agent which reacts rapidly with a wide variety of inorganic and organic species. Within nighttime clouds the production of gaseous NO3 from the reaction of NO2 with O3 followed by heterogeneous scavenging of NO3 by cloud droplets can represent a significant source of these reactive radicals to cloud water. Model calculations indicate that in addition to leading to the production of NO3(-) in cloud water, this aqueous-phase source of NO3 can, under the appropriate conditions and depending upon the values for a number of uncertain rate constants, have a significant impact upon the rate of conversion of SO2 to H2SO4.

Chameides, W. L.↗

High-latitude filtering in a global grid-point model using model normal modes

A normal modes expansion technique is applied to perform high latitude filtering in the GLAS fourth order global shallow water model with orography. The maximum permissible time step in the solution code is controlled by the frequency of the fastest propagating mode, which can be a gravity wave. Numerical methods are defined for filtering the data to identify the number of gravity modes to be included in the computations in order to obtain the appropriate zonal wavenumbers. The performances of the model with and without the filter, and with a time tendency and a prognostic field filter are tested with simulations of the Northern Hemisphere winter. The normal modes expansion technique is shown to leave the Rossby modes intact and permit 3-5 day predictions, a range not possible with the other high-latitude filters.

Takacs, L. L.↗

General Circulation Models Simulate Negative Liquid Water Path­–Droplet Number Correlations, but Anthropogenic Aerosols Still Increase Simulated Liquid Water Path

General circulation models' (GCMs) estimates of the liquid water path adjustment to anthropogenic aerosol emissions differ in sign from other lines of evidence. This reduces confidence in estimates of the effective radiative forcing of the climate by aerosol–cloud interactions (ERFaci). The discrepancy is thought to stem in part from GCMs' inability to represent the turbulence–microphysics interactions in cloud-top entrainment, a mechanism that leads to a reduction in liquid water in response to an anthropogenic increase in aerosols. In the real atmosphere, enhanced cloud-top entrainment is thought to be the dominant adjustment mechanism for liquid water path, weakening the overall ERFaci. We show that the latest generation of GCMs includes models that produce a negative correlation between the present-day cloud droplet number and liquid water path, a key piece of observational evidence supporting liquid water path reduction by anthropogenic aerosols and one that earlier-generation GCMs could not reproduce. However, even in GCMs with this negative correlation, the increase in anthropogenic aerosols from preindustrial to present-day values still leads to an increase in the simulated liquid water path due to the parameterized precipitation suppression mechanism. This adds to the evidence that correlations in the present-day climate are not necessarily causal. We investigate sources of confounding to explain the noncausal correlation between liquid water path and droplet number. These results are a reminder that assessments of climate parameters based on multiple lines of evidence must carefully consider the complementary strengths of different lines when the lines disagree.

General circulation models↗

High-Latitude Filtering in a Global Grid-Point Model Using Model Normal Modes

The aim of high-latitude filtering in the vicinity of the poles is to avoid the excessively short time steps imposed on an explicit time-differencing scheme by linear stability due to fast moving inertia-gravity waves near the poles. The model normal mode expansion toward the problem of high-latitude filtering in a global shallow water model using the same philosophy as that used by Daley for the problem for large timesteps in P.E. models with explicit time integration schemes was applied.

Takacs, L. L.↗