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At least 55 records · Page 3

Assessment of Precipitating Marine Stratocumulus Clouds in the E3SMv1 Atmosphere Model: A Case Study from the ARM MAGIC Field Campaign

This paper presents a process-oriented evaluation of precipitating stratocumulus and its transition to cumulus in version 1 of the Energy Exascale Earth System Model (E3SMv1) using comprehensive case-study observations from a field campaign of the Atmospheric Radiation Measurement program (ARM). The E3SMv1 single-column model (SCM) of the marine boundary layer and its low clouds and precipitation are compared to observations including subcloud drizzle retrievals from a combination of Doppler radar and lidar backscatter measurements. Additionally, the SCM is also compared to a large-eddy simulation (LES) of the same case. The combination of advanced remote sensing observations and LES is a powerful framework to evaluate the physical parameterizations of large-scale models. Given the observed large-scale environment, the E3SMv1 SCM realistically represents the evolution of clouds and boundary layer structure during the stratocumulus-to-cumulus transition. The model well simulates the liquid water path and its diurnal cycle in the stratocumulus period as well as the two-layer vertical thermodynamic structure and lower cloud fraction in the transition period. E3SMv1’s success in simulating the cloud in the stratocumulus period permitted examination of its precipitation processes. Here problems were identified with E3SMv1 producing an unrealistically small subcloud precipitation fraction, an unrealistic double peak in the vertical profiles of precipitation mass, and drizzle that evaporates too close to the surface. Further model diagnostics determined that these unrealistic characteristics resulted from an overly long microphysics time step and an unrealistic parameterization of the precipitation fraction. These results imply that careful consideration of these issues is needed in order to better simulate precipitation processes in marine stratocumulus.

54 ENVIRONMENTAL SCIENCES↗

Quantifying the Impact of Vertical Resolution on the Representation of Marine Boundary Layer Physics for Global-Scale Models

Abstract While GCM horizontal resolution has received the majority of scale improvements in recent years, ample evidence suggests that a model’s vertical resolution exerts a strong control on its ability to accurately simulate the physics of the marine boundary layer. Here we show that, regardless of parameter tuning, the ability of a single-column model (SCM) to simulate the subtropical marine boundary layer improves when its vertical resolution is improved. We introduce a novel objective tuning technique to optimize the parameters of an SCM against profiles of temperature and moisture and their turbulent fluxes, horizontal winds, cloud water, and rainwater from large-eddy simulations (LES). We use this method to identify optimal parameters for simulating marine stratocumulus and shallow cumulus. The novel tuning method utilizes an objective performance metric that accounts for the uncertainty in the LES output, including the covariability between model variables. Optimization is performed independently for different vertical grid spacings and value of time step, ranging from coarse scales often used in current global models (120 m, 180 s) to fine scales often used in parameterization development and large-eddy simulations (10 m, 15 s). Uncertainty-weighted disagreement between the SCM and LES decreases by a factor of ∼5 when vertical grid spacing is improved from 120 to 10 m, with time step reductions being of secondary importance. Model performance is shown to converge at a vertical grid spacing of 20 m, with further refinements to 10 m leading to little further improvement. Significance Statement In successive generations of computer models that simulate Earth’s atmosphere, improvements have been mainly accomplished by reducing the horizontal sizes of discretized grid boxes, while the vertical grid spacing has seen comparatively lesser refinements. Here we advocate for additional attention to be paid to the number of vertical layers in these models, especially in the model layers closest to Earth’s surface where climatologically important marine stratocumulus and shallow cumulus clouds reside. Our experiments show that the ability of a one-dimensional model to represent physical processes important to these clouds is strongly dependent on the model’s vertical grid spacing.

Meteorology & Atmospheric Sciences↗

A Case Study Investigating the Low Summertime CAPE Behavior in the Global Forecast System

Convective available potential energy (CAPE) is an important index for storm forecasting. Recent versions (v15.2 and v16) of the Global Forecast System (GFS) predict lower values of CAPE during summertime in the continental United States than analysis and observation. We conducted an evaluation of the GFS in simulating summertime CAPE using an example from the Unified Forecast System Case Study collection to investigate the factors that lead to the low CAPE bias in GFS. Specifically, we investigated the surface energy budget, soil properties, and near-surface and upper-level meteorological fields. Results show that the GFS simulates smaller surface latent heat flux and larger surface sensible heat flux than the observations. This can be attributed to the slightly drier-than-observed soil moisture in the GFS that comes from an offline global land data assimilation system. The lower simulated CAPE in GFS v16 is related to the early drop of surface net radiation with excessive boundary layer cloud after midday when compared with GFS v15.2. A moisture-budget analysis indicates that errors in the large-scale advection of water vapor does not contribute to the dry bias in the GFS at low levels. Common Community Physics Package single-column model (SCM) experiments suggest that with realistic initial vertical profiles, SCM simulations generate a larger CAPE than runs with GFS IC. SCM runs with an active LSM tend to produce smaller CAPE than that with prescribed surface fluxes. Note that the findings are only applicable to this case study. Including more warm-season cases would enhance the generalizability of our findings.

54 ENVIRONMENTAL SCIENCES↗

Low ozone dry deposition rates to sea ice during the MOSAiC field campaign: Implications for the Arctic boundary layer ozone budget

Dry deposition to the surface is one of the main removal pathways of tropospheric ozone (O 3 ). We quantified for the first time the impact of O 3 deposition to the Arctic sea ice on the planetary boundary layer (PBL) O 3 concentration and budget using year-round flux and concentration observations from the Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) campaign and simulations with a single-column atmospheric chemistry and meteorological model (SCM). Based on eddy-covariance O 3 surface flux observations, we find a median surface resistance on the order of 20,000 s m –1 , resulting in a dry deposition velocity of approximately 0.005 cm s –1 . This surface resistance is up to an order of magnitude larger than traditionally used values in many atmospheric chemistry and transport models. The SCM is able to accurately represent the yearly cycle, with maxima above 40 ppb in the winter and minima around 15 ppb at the end of summer. However, the observed springtime ozone depletion events are not captured by the SCM. In winter, the modelled PBL O 3 budget is governed by dry deposition at the surface mostly compensated by downward turbulent transport of O 3 towards the surface. Advection, which is accounted for implicitly by nudging to reanalysis data, poses a substantial, mostly negative, contribution to the simulated PBL O 3 budget in summer. During episodes with low wind speed (<5 m s –1 ) and shallow PBL (<50 m), the 7-day mean dry deposition removal rate can reach up to 1.0 ppb h –1 . Our study highlights the importance of an accurate description of dry deposition to Arctic sea ice in models to quantify the current and future O 3 sink in the Arctic, impacting the tropospheric O 3 budget, which has been modified in the last century largely due to anthropogenic activities.

54 ENVIRONMENTAL SCIENCES↗

Demonstration of Utility Managed Smart Charging for Multiple Benefit Streams (Final Report)

In the summer of 2020, the U.S. Department of Energy (DOE) awarded funding to Exelon’s Maryland utilities—Baltimore Gas and Electric (BGE), Delmarva Power & Light (DPL), and Potomac Electric Power Company (Pepco)—to implement the Smart Charge Management (SCM) pilot. This initiative aimed to design and implement managed electric vehicle (EV) charging strategies, evaluate the grid impacts of EV charging, and assess the utilities' ability to control EV load based on real-time grid conditions. The SCM pilot explored four aspects for continued improvement: (1) cybersecurity and managed charging functionality testing of two vendor platforms—WeaveGrid (telematics-based) and Shell Recharge Solutions (network-based)—which pursued charge scheduling and optimization through distinct approaches; (2) an analysis by Argonne National Laboratory (ANL) modeling team of three potential SCM enrollment scenarios within BGE and Pepco service territories over the next decade to assess future scalability; (3) employing customer engagement strategies, including surveys and a responsive pricing approach; and (4) the launch and implementation of pilots in Exelon’s Maryland territories in collaboration with WeaveGrid.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Uranium Retardation Capacity of Lithologies from the Negev Desert, Israel—Rock Characterization and Sorption Experiments

A series of batch experiments were performed to assess the uranium sorption capacity of four mineralogically distinct lithologies from the Negev Desert, Israel, to evaluate the suitability of a potential site for subsurface radioactive waste disposal. The rock specimens consisted of an organic-rich phosphorite, a bituminous marl, a chalk, and a sandstone. The sorption data for each lithology were fitted using a general composite surface complexation model (GC SCM) implemented in PHREEQC. Sorption data were also fitted by a non-mechanistic Langmuir sorption isotherm, which can be used as an alternative to the GC SCM to provide a more computationally efficient method for uranium sorption. This is because all the rocks tested have high pH/alkalinity/calcium buffering capacities that restrict groundwater chemistry variations, so that the use of a GC SCM is not advantageous. The mineralogy of the rocks points to several dominant sorption phases for uranyl (UO 2 2+ ), including apatite, organic carbon, clays, and iron-bearing phases. The surface complexation parameters based on literature values for the minerals identified overestimate the uranium sorption capacities, so that for our application, an empirical approach that makes direct use of the experimental data to estimate mineral-specific sorption parameters appears to be more practical for predicting uranium sorption.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Adsorption of neodymium, dysprosium, and ytterbium to goethite under varying aqueous chemistry conditions [dataset]

The adsorption of rare earth elements (REEs) to iron oxides can regulate the mobility of REEs in the environment and is heavily influenced by water chemistry. This study utilized batch experiments to examine the adsorption of Nd, Dy, and Yb to goethite under varying pH, electrolyte (type and concentration), and concentrations of dissolved inorganic carbon and citrate. REE adsorption was strongly influenced by pH, with an increase from essentially no adsorption at pH 3.0 to nearly complete adsorption at pH 6.5 and higher. Citrate enhanced the adsorption of REEs at low pH (< 5.0), likely by forming goethite-REE-citrate ternary surface complexes. However, citrate inhibited the adsorption of REEs at higher pH (> 5.0) by forming aqueous REE-citrate complexes. Ionic strength had a small influence on REE adsorption, and the presence of dissolved inorganic carbon had no discernible effect. Equilibrium adsorption was interpreted with a triple layer surface complexation model (SCM). The selection of surface complexation reactions was guided by extended X-ray absorption fine structure spectra. A SCM with a single bidentate inner-sphere surface complexation reaction for Nd and two inner-sphere surface complexation reactions (one monodentate and one bidentate reaction) for Dy and Yb effectively simulated adsorption across a broad range of conditions in the absence of citrate. Accounting for the effects of citrate on REE adsorption required the addition of up to two ternary REE-citrate-goethite surface complexes. The SCM can enable predictions of REE transport in subsurface environments that have goethite as an important adsorbent mineral. This predictive capability could contribute to identifying potential REE sources and facilitating efficient extraction of REEs.

58 GEOSCIENCES↗

Development Of Thermodynamic and Kinetic Simulation Tools and Testing Procedures for Enhanced Durability of Concrete Containing Industrial By-Products

This project developed screening tools that enable evaluation of alternative cementitious binders that create concretes to significantly reduce energy and emissions while remaining cost competitive on both initial and long-term costs. The team began with the viewpoint that acceptance of new cementitious binder products has a substantially greater chance of successful implementation when capital investment is not excessive and the end product has customers that have experience and resources to use this. As such, a binder system that is based on portland cement with blended using industrial by-products (alternative cementitious materials) has the potential for dramatic and meaningful impact. The team has focused on developing implementable solutions in specifications and current practice. This however requires three main factors: 1) ability to screen byproducts and alternative materials for success, 2) ability to ‘treat’ materials chemically to enhance kinetics, and 3) ability to provide predictions of performance of both binders and concrete from first principles. The project developed/refined a state of the art and scientifically based screening test for SCM called the pozzolanic reactivity test. The team developed kinetic models to simulate these materials as well as experimental approaches to alter selected reactions. Simulation tools were developed that enable the performance of concrete to be predicted based on the chemistry and reactivity of the cement and alternative SCM. Specifically, this project: • enhanced the kinetic reactivity models for use in multi-scale computational programs that use thermodynamics to predict reaction products. 2 • developed scaling models to extend thermodynamic modeling to link these models with pore structure. This enables strength, transport property, and coupled transport prediction. • developed tools to predict performance of cementitious materials using the pozzolanic reactivity test and chemical composition. The predicted properties are consistent with AASHTO R101 and the CEB-FIP model code and can be measured using associated test procedures. • demonstrated mechanical and fracture based modeling tools that thermodynamic predictions and inputs to predict concrete service life. These results have been used to demonstrate the value of enabling specifications to include ASTM C 595 cement as well ASTM C150 cement. In addition, these products are being used to expedite the evaluation of alternative SCM to aide in determining which materials have potential value and what ‘compositions’ of blended cements merit further investment.

42 ENGINEERING↗

CP-DSSS: An OFDM Compatible Variable Rate Modulation for 5G and Beyond

Cyclic prefix direct sequence spread spectrum (CPDSSS) is a recently proposed waveform that has been designed for coexistence with OFDM (orthogonal frequency division multiplexing) in the same or a pair of parallel networks. The first contribution of this paper is to present equations that reveal similarities and differences of CP-DSSS and OFDM. Furthermore, we show that the channel model of CP-DSSS reduces to that of a cyclic prefixed block-wise single carrier modulation (CP-SCM). However, unlike CP-SCM whose symbol rate is always equal to the transmission bandwidth, CP-DSSS can be adopted to any symbol rate equal to or smaller than the transmission bandwidth. This reduction in symbol rate allows CP-DSSS power spectral density to drop to an arbitrarily low level, hence, facilitates it coexistence as a secondary waveform in a network of primary users. The peak-to-average power ratio (PAPR) of CP-DSSS is also explored and a method for reducing it is proposed.

5G↗

EVs@Scale Deep Dive - SCM/VGI (Day 1: SCM/VGI Analysis)

The U.S. Department of Energy (DOE) Electric Vehicles at Scale Laboratory Consortium (EVs@Scale Lab Consortium) is accelerating research to support the establishment of a secure and scalable national network of charging infrastructure. Critical to this effort is an understanding of the potential grid impacts of EV charging and possible smart charge management (SCM) or vehicle-grid integration (VGI) capabilities that could mitigate these impacts. The EVs@Scale SCM/VGI Pillar is analyzing the impacts of EV charging and developing and demonstrating the capabilities of both SCM and VGI with many different vehicle use cases and grid scenarios. This Deep Dive Discussion from year 1 of the project encompasses the progress and future plans for the analysis components of the FUSE (Flexible charging to Unify the grid and transportation Sectors for Evs at scale) project.

ADVANCED PROPULSION SYSTEMS↗

EVs@Scale Deep Dive - SCM/VGI (Day 2: SCM/VGI Demonstration)

The U.S. Department of Energy (DOE) Electric Vehicles at Scale Laboratory Consortium (EVs@Scale Lab Consortium) is accelerating research to support the establishment of a secure and scalable national network of charging infrastructure. Critical to this effort is an understanding of the potential grid impacts of EV charging and possible smart charge management (SCM) or vehicle-grid integration (VGI) capabilities that could mitigate these impacts. The EVs@Scale SCM/VGI Pillar is analyzing the impacts of EV charging and developing and demonstrating the capabilities of both SCM and VGI with many different vehicle use cases and grid scenarios. This Deep Dive Discussion from year 1 of the project encompasses the progress and future plans for the demonstration components of the FUSE (Flexible charging to Unify the grid and transportation Sectors for Evs at scale) project.

ADVANCED PROPULSION SYSTEMS,POWER TRANSMISSION AND↗

Electric Vehicles at Scale (EVs@Scale) Laboratory Consortium Deep-Dive Technical Meeting: May 18, 2023

The U.S. Department of Energy (DOE) Electric Vehicles at Scale Laboratory Consortium (EVs@Scale Lab Consortium) is accelerating research to support the establishment of a secure and scalable national network of charging infrastructure. Critical to this effort is an understanding of the potential grid impacts of EV charging and possible smart charge management (SCM) or vehicle-grid integration (VGI) capabilities that could mitigate these impacts. The EVs@Scale SCM/VGI Pillar is analyzing the impacts of EV charging and developing and demonstrating the capabilities of both SCM and VGI with many different vehicle use cases and grid scenarios. This Deep Dive Discussion from year 2 of the project encompasses the progress and future plans for the analysis components of the FUSE (Flexible charging to Unify the grid and transportation Sectors for Evs at scale) project.

ADVANCED PROPULSION SYSTEMS,ENERGY PLANNING, POLIC↗

Smart Charge Management and Vehicle Grid Integration Deep Dive

The U.S. Department of Energy (DOE) Electric Vehicles at Scale Laboratory Consortium (EVs@Scale Lab Consortium) is accelerating research to support the establishment of a secure and scalable national network of charging infrastructure. Critical to this effort is an understanding of the potential grid impacts of EV charging and possible smart charge management (SCM) or vehicle-grid integration (VGI) capabilities that could mitigate these impacts. The EVs@Scale SCM/VGI Pillar is analyzing the impacts of EV charging and developing and demonstrating the capabilities of both SCM and VGI with many different vehicle use cases and grid scenarios. This deep dive discussion of the project encompasses the progress and future plans for the analysis components of the FUSE (Flexible charging to Unify the grid and transportation Sectors for Evs at scale) project.

ADVANCED PROPULSION SYSTEMS↗

Demonstrating Hierarchical System Development With the Common Community Physics Package Single‐Column Model: A Case Study Over the Southern Great Plains

This study demonstrates a specific application of the hierarchical system development (HSD) approach to investigate, analyze, and attribute model issues within the Unified Forecast System (UFS), with a focus on process isolation. By evaluating a non‐precipitating, shallow cumulus case at the Atmospheric Radiation Measurement Southern Great Plains site in the UFS global forecast against the observation, the investigation identifies a warmer and deeper daytime convective planetary boundary layer (PBL) and misrepresented nocturnal PBL transition. Hypothesis testing, which employs the Common Community Physics Package (CCPP) single‐column model (SCM) and uses the same physics as the UFS global model, confirms that these issues are attributed to the model physics and initialization. Specifically, misrepresented PBL processes are linked to problematic surface condition and a lack of cloud formation, which may stem from deficiencies in PBL and cloud microphysics parameterizations and their interactions. The UFS initial condition contributes to an earlier, excessively collapsed daytime convective boundary layer and a lack of decoupling between the stable boundary layer and residual layer late in the afternoon. This work introduces an avenue for the community to engage with the application of HSD, along with the CCPP and CCPP SCM, to understand the interplay of model physics, disentangle the roles of model components, as well as facilitate model and forecast improvement.

54 ENVIRONMENTAL SCIENCES↗

Effect of supplementary cementitious materials on carbonation of cement pastes

Supplementary cementitious materials (SCM) are increasingly used in concrete for economical and environmental reasons. However, the durability of reinforced concretes against, for example, corrosion induced by carbonation varies. Here, the phase assemblage of various cement pastes with/without SCM (slag, fly ash and metakaolin), carbonated in accelerated conditions (1.5% CO{sub 2} and 65% RH) or not, has been investigated by various technics (XRD, TGA/DTA and {sup 29}Si as well as {sup 27}Al nuclear magnetic resonance spectroscopy) and compared. Results show that, after carbonation, anhydrous phases are less decalcified than hydrated phases. In cement pastes with slag, most of the calcium remains in the non-hydrated part of the slag. In contrast, the C-A,S-H phase is deeply modified and results show a coupling between C-A,S-H and hydrated aluminate phases during carbonation. In all carbonated materials, these phases tend to become an aluminosilicate gel, a very amorphous/disordered phase, containing less water than the original hydrates.

36 MATERIALS SCIENCE↗

Probabilistic learning on manifolds constrained by nonlinear partial differential equations for small datasets

A novel extension of the Probabilistic Learning on Manifolds (PLoM) is presented. It makes it possible to synthesize solutions to a wide range of nonlinear stochastic boundary value problems described by partial differential equations (PDEs) for which a stochastic computational model (SCM) is available and which depend on a vector-valued random control parameter. The cost of a single numerical evaluation of this SCM is assumed to be such that only a limited number of points can be computed for constructing the training dataset (small data). Each point of the training dataset is made up of realizations from a vector-valued stochastic process (the stochastic solution) and the associated random control parameter on which it depends. The presented PLoM constrained by PDE allows for generating a large number of learned realizations of the stochastic process and its corresponding random control parameter. These learned realizations are generated so as to minimize the vector-valued random residual of the PDE in the mean-square sense. Appropriate novel methods are developed to solve this challenging problem. Three applications are presented. The first one is a simple uncertain nonlinear dynamical system with a nonstationary stochastic excitation. The second one concerns the 2D nonlinear unsteady Navier–Stokes equations for incompressible flows in which the Reynolds number is the random control parameter. Here, the last one deals with the nonlinear dynamics of a 3D elastic structure with uncertainties. The results obtained make it possible to validate the PLoM constrained by stochastic PDE but also provide further validation of the PLoM without constraint.

Machine learning↗

Scalability and Effectiveness of Smart Charge Management

The rise in electric vehicle (EV) adoption presents growing challenges for power grids, particularly from simultaneous residential charging, which can cause voltage fluctuations and increase feeder peak loads. Baltimore Gas and Electric (BGE), with support from the U.S. Department of Energy, initiated a pilot program to evaluate managed residential EV charging through Smart Charge Management (SCM). This study analyzes real-world charging behavior data from the pilot and feeder-level base loads from BGE to simulate residential charging scenarios through 2035 across the Washington, DC–Baltimore region. Grid impacts under unmanaged charging are compared to three SCM strategies: TOU-immediate, TOU-distributed, and Load Balancing. Results show that the magnitude of peak reduction is highly feeder-dependent. Some feeders achieve reductions of more than 40% at high enrollment levels, while others show improvements closer to 10–15%. This heterogeneity reflects differences in baseline feeder load shapes, EV penetration, and plug-in behavior across customers. Results also highlight trade-offs between shifting load away from peak periods and minimizing secondary demand peaks, offering practical insights for future utility program design.

Electric vehicle↗

Distance-dependent dielectric constant at the calcite/electrolyte interface: Implication for surface complexation modeling

Hypothesis: The electrical double layer formed at the mineral/electrolyte interface is often modeled using mean-field approaches based on a continuum description of the solvent whose dielectric constant is assumed to decrease monotonically with decreasing distance to the surface. In contrast, molecular simulations show that the solvent polarizability oscillates near the surface similar to the water density profile - as shown previously, for example, by Bonthuis et al. (D.J. Bonthuis, S. Gekle, R.R. Netz, Dielectric Profile of Interfacial Water and its Effect on Double-Layer Capacitance, Phys Rev Lett 107(16) (2011) 166102). Here, we showed that molecular and mesoscale pictures agree by spatially averaging the dielectric constant obtained from molecular dynamics simulations over the distances relevant to the mean-field representation. In addition, the values of capacitances used to describe the electrical double layer in Surface Complexation Models (SCMs) of the mineral/electrolyte interface can be estimated using molecularly informed spatially averaged dielectric constants and positions of hydration layers. Experiments: First, we used molecular dynamics simulations to model the calcite 101¯4/electrolyte interface. Next, by using atomistic trajectories, we calculated the distance-dependent static dielectric constant and water density in the direction normal to the. Finally, we applied spatial compartmentalization consistent with the model of parallel-plate capacitors connected in series to estimate SCM capacitances. Findings: Computationally expensive simulations are required to determine the dielectric constant profile of interfacial water near the mineral surface. On the other hand, water density profiles are readily assessable from much shorter simulation trajectories. Our simulations confirmed that dielectric and water density oscillations at the interface are correlated. Here, we parametrized linear regression models to estimate the dielectric constant directly from the local water density. This is a significant computational shortcut compared to slowly converging calculations relying on total dipole moment fluctuations. The amplitude of the interfacial dielectric constant oscillation can exceed the dielectric constant of the bulk water, suggesting an ice-like frozen state, but only if there are no electrolyte ions. The interfacial accumulation of electrolyte ions causes a decrease in the dielectric constant due to the reduction of water density and re-orientation of water dipoles in ion hydration shells. Finally, we show how to use the computed dielectric properties to estimate SCM's capacitances.

58 GEOSCIENCES↗