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At least 1,405 records · Page 78

Enhancing the EVI-X National Framework to Address Emerging Questions on Charging Infrastructure Deployment

As national investments in EV charging infrastructure accelerate, this project advances the state-of-the-art in infrastructure analysis to better inform deployment strategies. It enhances NLR's EVI-X Suite, a set of tools supporting national network planning, local site design, and financial evaluation. These capabilities will position VTO to provide timely analysis to the DOT/DOE Joint Office, and to guide the strategic buildout of the national charging network. EVI-X development is closely coordinated with other VTO-funded efforts to ensure consistent, integrated use of key inputs and outputs, including EV adoption scenarios from TEMPO and infrastructure designs developed through EVs@Scale.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Optimizing DOE Opportunities to Research Land–Atmosphere Interactions in the U.S. Southeast (Workshop Report)

The southeastern United States (Southeast), with its complex and varied environments, is an area of tremendous economic, ecological, and societal importance to the country. The region is characterized by heterogeneous landscapes (i.e., geology and soil type) and a long history of human land use coupled with a warm temperature regime and high precipitation. As a result, soil erosion and deposition are pronounced, vegetation recovery is rapid, and human modification is extensive across the region. To better understand land–atmosphere interactions in this important and complex region, research communities supported by the U.S. Department of Energy’s Biological and Environmental Research (BER) program identified the Southeast as a priority region of interest. In fall 2024, the third Atmospheric Radiation Measurement Mobile Facility (AMF3), one of three mobile monitoring facilities designed to collect atmospheric and climate data from undersampled regions around the world, will begin operations in northwestern Alabama’s Bankhead National Forest (BNF). The AMF3-BNF 5-year deployment, from 2024–2029, will monitor the effects of feedbacks among aerosols, clouds, and precipitation on plant physiology and canopy-scale fluxes. It will also focus on scale aggregation to resolve the role of local forcing on larger-scale processes. To enable broader AMF3 involvement by the science community, the BER Environmental System Science (ESS) program organized the Southeast Land– Atmosphere Research Opportunities (SELARO) workshop in August 2023. The purpose was to identify gaps in scientific understanding of terrestrial processes in the Southeast (defined as states bounded by the Gulf of Mexico to the south, the Atlantic Ocean to east, the Mississippi River to the west, and extending through Tennessee and North Carolina to the north) and explore opportunities to use the AMF3-BNF deployment to coordinate and leverage research efforts across the region. Many parts of the Southeast have experienced repeated anthropogenic forcings. Farming, hunting, burning, and settlement of the region by Indigenous Peoples first shaped the distribution of plant communities, which in turn influenced European colonization patterns. Timber harvesting was common during the expansion of European settlements, and production forestry continues today. Agricultural production was extensive and then waned through the 20th century, creating a period of afforestation following agricultural abandonment. Today, many formerly agricultural landscapes are undergoing rapid urbanization and suburbanization. Overlying these patterns of anthropogenic land use are frequent disturbances from hurricanes, tornadoes, wildfires, drought, flooding, ice storms, and the occasional blizzard. An additional characteristic of the Southeast is its overall landscape complexity. Unlike the western United States, where broad expanses may share similar characteristics, Southeast topography, drainage patterns, vegetation, and development patterns vary widely across relatively small spatial scales (<1 km). This is due to the region’s underlying geology and soil development, species biodiversity patterns, and land ownership and use coupled with strong forces of erosion, weathering, and rapid plant growth in the warm, wet climate.

54 ENVIRONMENTAL SCIENCES↗

Realization of an Elusive U(III) Imido Complex

Abstract Reduction of Cp*( Tripp TerN)UI with KC 8 generates (KCp*( Tripp TerN)UI) 2 , the first example of a trivalent uranium imido, a previously elusive species, which are commonly unstable. Experimental and computational results indicate that the K + coordination is responsible for this isolable U(III) monoimido complex.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dynamics of McMillan mappings II. axially symmetric map

Here, in this article, we investigate the transverse dynamics of a single particle in a model integrable accelerator lattice, based on a McMillan axially-symmetric electron lens. Although the McMillan e-lens has been considered as a device potentially capable of mitigating collective space charge forces, some of its fundamental properties have not been described yet. The main goal of our work is to close this gap and understand the limitations and potentials of this device. It is worth mentioning that the McMillan axially symmetric map provides the first-order approximations of dynamics for a general linear lattice plus an arbitrary thin lens with motion separable in polar coordinates. Therefore, advancements in its understanding should give us a better picture of more generic and not necessarily integrable round beams. In the first part of the article, we classify all possible regimes with stable trajectories and find the canonical action-angle variables. This provides an evaluation of the dynamical aperture, Poincaré rotation numbers as functions of amplitudes, and thus determines the spread in nonlinear tunes. Also, we provide a parameterization of invariant curves, allowing for the immediate determination of the map image forward and backward in time. The second part investigates the particle dynamics as a function of system parameters. We show that there are three fundamentally different configurations of the accelerator optics causing different regimes of nonlinear oscillations. Each regime is considered in great detail, including the limiting cases of large and small amplitudes. In addition, we analyze the dynamics in Cartesian coordinates and provide a description of observable variables and corresponding spectra.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

PDB-IHM: A System for Deposition, Curation, Validation, and Dissemination of Integrative Structures

Structures of many large biomolecular assemblies are now being determined using integrative approaches. In these approaches, information derived from multiple experimental and computational methods is combined to compute three-dimensional structures of multi-protein complexes and other macromolecular machines. A standalone prototype data resource for integrative structures called PDB-Dev was built, based on recommendations of the Integrative and Hybrid Methods (IHM) Task Force of the Worldwide Protein Data Bank (wwPDB). This effort included developing data standards and software tools for collecting, curating, validating, visualizing, archiving, and disseminating integrative structures that span diverse spatiotemporal scales and conformational states. Mechanisms have been created to validate integrative structures based on the experimental data underpinning them. Building upon this foundational framework, PDB-Dev has been further expanded to handle large dynamic macromolecular systems and integrative structures that combine, for example, experimental restraints with atomic coordinates computed by machine learning algorithms. Data standards and supporting tools have also been extended to capture information about biomolecular dynamics, such as conformational transitions and related kinetic data derived from biophysical methods. Recently, PDB-Dev was unified with the PDB archive and rebranded as PDB-IHM (pdb-ihm.org), further promoting FAIR (Findable, Accessible, Interoperable, and Reusable) principles of data stewardship for integrative structural biology.

IHMCIF↗

Anion–Cation–Anion Ion Triplet Characterization by Computation and Photoelectron Spectroscopy

Ion triplets of the chloride salts of two commonly used weakly coordinating cations are reported (i.e., Cl – ·NMe 4 + Cl – (1 – ) and Cl – ·PPh 4 + Cl – (2 – )). Negative ion photoelectron spectra at 20 K afford vertical and adiabatic detachment energies of 5.18 and 5.00 eV (1 – ) and 5.03 and 4.70 eV (2 – ), respectively. These results are well reproduced by coupled cluster calculations with single, double, and perturbative triple excitations (CCSD(T)) whereas M06-2X is systematically too small by ~0.3 eV (i.e., 7 kcal mol –1 ). The structures of both 1 – and 2 – have five or six C–H···Cl – interactions that stabilize these cluster anions by 32 (1 – ) and 27 (2 – ) kcal mol –1 as given by their chloride dissociation enthalpies. In conclusion, these values drop to 7.4 and 3.8 kcal mol –1 in dichloromethane based up conductor-like polarizable continuum model calculations and suggest that X – ·M + X – ion triplets with a weakly coordinating cation maybe the reactive form of salts under some conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Muon-induced fission of actinide nuclei

A negative muon captured by an actinide cascades down through the muonic atomic levels; deeply bound transitions can proceed via inverse internal conversion, depositing the muonic transition energy directly into the nucleus and, when the deposited energy exceeds the fission barrier, inducing prompt fission. Because the muon mean lifetime exceeds the saddle-to-scission timescale by orders of magnitude, the muon can survive the entire fission event as a 1⁢𝑠 spectator and ultimately attach to one or both of the emerging fragments. Its postscission attachment probability to the light fragment, 𝑃 𝐿 , can be used as a direct electromagnetic probe of fission dynamics on a timescale of 10 −21 s. In previous work, we introduced a three-dimensional lattice solution of the time-dependent Dirac equation coupled to the electromagnetic field generated by a fissioning nucleus and reported 𝑃 𝐿 for several actinides at a single dissipation strength. In this work, we extend that framework to a systematic survey of 232 Th , 238 U , and 240 Pu and implement a more realistic fission model which incorporates dynamic pairing correlations. We find that 𝑃 𝐿 falls steeply with the fragment charge asymmetry, a robust structural fingerprint of the fissioning system, while its dependence on nuclear dissipation is secondary and sensitive to the phenomenological friction prescription. These results establish 𝑃 𝐿 as a clean electromagnetic probe of fragment charge asymmetry and motivate a self-consistent, coordinate- and time-dependent treatment of nuclear dissipation as the natural next step.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DISSPATCH H2: Assessing Subsurface Storage Potential for Hydrogen

This project evaluates the technical feasibility of long-term underground hydrogen storage in the Anadarko Basin, integrating subsurface science, reservoir engineering, and system-level analysis to build a cohesive understanding of how hydrogen may be stored and recovered in porous media. Although salt caverns currently dominate commercial-scale hydrogen storage, their limited geographic availability necessitates alternative options that can support a more resilient energy system. Depleted oil and gas reservoirs offer a widely distributed and potentially high-capacity solution, but their suitability depends on formation-specific geologic, petrophysical, microbial, and operational factors. This study provides the first coordinated assessment of these factors within the Simpson Group of Oklahoma.

03 NATURAL GAS↗

Spatial Mapping of Valence Excited-State Landscapes Using Time-Resolved Shake-Down Spectroscopy

Time-resolved X-ray photoelectron spectroscopy (XPS) is used to track the photodissociation dynamics of 2-iodothiophene following 262 nm excitation. The transient XPS features include both direct ionization of the initially populated excited states and pronounced satellite peaks arising from shake-down processes. While the direct ionization signals exhibit only minimal energy shifts during C−I bond cleavage, the shake-down transitions undergo a substantial, 5 eV, shift over the reaction coordinate. By correlating these shifts with simulated C−I bond lengths, a direct structural mapping is established that reveals the exceptional sensitivity of shake-down channels to molecular geometry. These results demonstrate that shake-down transitions provide a new and powerful probe of ultrafast structural dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Plasma properties and magnetic field structure of the solar corona, based on coordinated Max 1991 observations from SERTS, the VLA, and magnetographs

The purposes of this investigation are to determine the plasma properties and magnetic field structure of the solar corona using coordinated observations obtained with NASA/GSFC's Solar EUV rocket Telescope and Spectrograph (SERTS), the Very Large Array (VLA), and magnetographs. The observations were obtained under the auspices of NASA's Max '91 program. The methods of achieving the stated purposes of this investigation are: (1) to use SERTS spectra and spectroheliograms to determine coronal plasma properties such as temperature, density, and emission measure; (2) to use the coronal plasma properties to calculate the intensity of the thermal bremsstrahlung microwave emission from the coronal plasma (the minimum microwave intensity expected from the emitting plasma); (3) to establish which emission mechanism(s) contribute to the observed microwave emission by comparing the calculated thermal bremsstrahlung intensity with the observed microwave intensity; (4) to derive the coronal magnetic field for regions in which gyroemission contributes to the microwave emission by determining the appropriate harmonic of the local electron gyrofrequency; (5) to derive the coronal magnetic field for regions in which thermal bremsstrahlung emission alone is responsible for the observed microwave emission by calculating the magnetic field which yields the observed microwave polarization; (6) to derive three-dimensional models of the coronal plasma and magnetic field which are consistent with all of the EUV spectra and spectroheliograms, as well as with the intensity and polarization maps at all of the microwave observing frequencies; and (7) to compare the coronal magnetic field derived from the coordinated multiwaveband observations with extrapolations from photospheric magnetograms.

Brosius, Jeffrey W.↗

First Principles Nonadiabatic Excited-State Molecular Dynamics in NWChem

Computational simulation of non-adiabatic molecular dynamics is an indispensable tool for understanding complex photoinduced processes such as internal conversion, energy transfer, charge separation, and spatial localization of excitons, to name a few. Here, we report an implementation of the fewest-switches surface hopping algorithm in the NWChem computational chemistry program. Here the surface hopping method is combined with linear-response time-dependent density functional theory calculations of adiabatic excited state potential energy surfaces. To treat quantum transitions between arbitrary electronic Born{Oppenheimer states, we have implemented both numerical and analytical differentiation schemes for derivative non-adiabatic couplings. A numerical approach for the time-derivative non-adiabatic couplings together with an analytical method for calculating non-adiabatic coupling vectors is an efficient combination for surface hopping approaches. Additionally, electronic decoherence schemes and a state reassigned unavoided crossings algorithm are also implemented to improve the accuracy of the simulated dynamics and to handle trivial unavoided crossings. We apply our code to study the ultrafast decay of photoexcited benzene, including a detailed analysis of the potential energy surface, population decay time scales, and vibrational coordinates coupled to the excitation dynamics. The development presented in this work is a baseline for future implementations of more sophisticated frameworks for simulating of non-adiabatic molecular dynamics in NWChem.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Hybrid Power Plants: Status of Operating and Proposed Plants, 2023 Edition [Slides]

Improving battery technology and the growth of variable renewable generation are driving a surge of interest in “hybrid” power plants that combine, for example, wind or solar generating capacity with co-located batteries. While most of the current interest involves pairing photovoltaic (PV) plants with batteries, other types of hybrid or co-located plants with wide-ranging configurations have been part of the U.S. electricity mix for decades. This annually updated briefing tracks and maps existing hybrid or co-located plants across the United States while also synthesizing data from power purchase agreements (PPAs) and generation interconnection queues to shed light on near- and long-term development pipelines. The scope includes “co-located hybrids” that pair two or more resources (e.g., multiple types of generation and/or generation with storage) that are operated largely independently behind a single point of interconnection, and “full hybrids” that also feature coordinated operations of the co-located resources. The focus is on plants with one megawatt (MW) or more of capacity; smaller (often behind-the-meter) projects are also increasingly common, but are not included in this data synthesis. Key findings from the latest briefing include: -At the end of 2022, there were 374 hybrid plants (>1 MW) operating across the United States (+25% compared to the end of 2021), totaling nearly 41 GW of generating capacity (+15%) and 5.4 GW/15.2 GWh of energy storage (+69%/+88%). PV+storage plants are by far the most common, dominating in terms of plant number (213), storage capacity (4.0 GW/12.5 GWh), storage:generator capacity ratio (49%), and storage duration (3.1 hours). But there are nearly twenty other hybrid plant configurations as well, including several different fossil hybrid categories (each dominated by the fossil component) as well as wind+storage, wind+PV, wind+PV+storage, geothermal+PV, and others. -Last year was another strong year for PV+storage hybrids in particular: 59 of the 62 hybrids added in 2022 were PV+storage. As of the end of 2022, there was roughly as much storage capacity operating within PV+storage hybrid plants as in standalone storage plants (~4 GW each). In storage energy terms, however, PV+storage edged out standalone storage by ~2 GWh (12.5 GWh vs. 10.4 GWh, respectively). -Interconnection queue data show continued strong developer interest in hybridization. At the close of 2022, there were 51% more hybrid plants—representing 59% more generating capacity—in interconnection queues across the United States than there were at the end of 2021. Solar dominates these proposed plants as well: at the close of 2022, there were 457 GW of solar capacity proposed as a hybrid (representing ~48% of all solar capacity in the queues), most typically pairing PV with battery storage. At the same time, there were 24 GW of wind capacity proposed as a hybrid (representing ~8% of all wind capacity in the queues), again most-often pairing wind with storage. Meanwhile, more than half of all storage in the queues is estimated to be part of a hybrid plant. While many of the plants proposed in the queues will not ultimately reach commercial operations, the depth of interest in hybrid plants—especially PV+storage—is notable, particularly in certain regions. For example, in CAISO, 97% of all solar capacity and 45% of all wind capacity in the queues is proposed as a hybrid. -The report also surveys power purchase agreement (PPA) price data from a sample of operating and proposed PV+storage plants. Though PV+storage PPA prices have fallen over time, “levelized storage adders” have recently increased somewhat to ~$\$ $7000/MW-month, ~$\$ $60/MWh-stored (assuming one full cycle per day), or ~$\$ $15/MWh-PV. Some of the recent price increase could simply reflect a trend towards higher battery:PV capacity ratios over time, which increases costs, all else being equal. The well-publicized impact of inflationary and supply chain pressures on battery prices is no doubt a contributor as well.

25 ENERGY STORAGE↗

Effect of Solvent on the Local Structure, Dynamics, and Vibrational Density of States in Sn-BEA Zeolite

Lewis acid zeolites are attractive catalysts for epoxidation and biomass valorization, as they are highly active and selective in the liquid phase and can operate at or near ambient conditions. While a rich experimental literature exists on liquid-phase Lewis acid zeolite catalysis, our understanding of the molecular organization and solvent dynamics in the vicinity of Lewis acid sites with differing metal site speciation remains limited. In this work, we investigate the molecular coordination and diffusion of two common solvents (methanol and water) around the closed and open Sn-BEA zeolite active sites using molecular dynamics simulations with a machine-learned interatomic potential trained on ab initio molecular dynamics trajectories. Molecular dynamics simulations reveal that introducing active sites significantly enhances local order in the first and second solvation shells compared to the pure silica case. For methanol, both closed and open active sites are singly coordinated, while more than two water molecules coordinate the open site. In contrast to methanol, we observed that water molecules dissociate, leading to the formation of additional Sn-OH and silanol groups away from the active site. The diffusion coefficients of water and methanol are functions of the solvent population in the pore. Here, our work provides insights into how active site speciation in Lewis acid zeolites affects solvent coordination, diffusion, and vibrational signature. This information is foundational for catalyst design and optimization of liquid-phase catalytic processes in zeolites. It also demonstrates the suitability of machine-learned interatomic potentials for modeling reactive systems, enabling sufficiently long trajectories for appropriate statistical averaging.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Mississippi's Strategic Resilience: A multi-systems approach to secure, reliable, and adaptable electric grid infrastructure

Mississippi’s electric grid resilience challenges are linked to an intersection of complex socioeconomic, ecological, technological, historical, and political challenges, exacerbated by increasing severe weather like flooding and tornado events. The state’s legacy of underinvestment in critical energy infrastructure, particularly in rural areas and vulnerable floodplains, have stressed an aging grid, creating long-lasting disruptions in electric service during weather-related outages. Effective emergency management and preparedness is further hampered by a lack of coordination across local, county, and regional scales. Using the TASTI-GRID platform and partnership with Oak Ridge National Laboratory (ORNL), Mississippi is developing a comprehensive regional resilience strategy to overcome energy security and reliability challenges, mitigating the impacts of natural hazards, and positioning Mississippi as a resilient and premier destination for residents, businesses, and economic development.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Cu(II) Stability and UV-Induced Electron Transfer in a Metal–Organic Hybrid: An EPR, DFT, and Crystallographic Characterization of Copper-Doped Zinc Creatininium Sulfate

Single-crystal X-ray diffraction and electron paramagnetic resonance (EPR) spectroscopic experiments, complemented by quantum chemical DFT calculations, were carried out on the copper-doped metal–organic hybrid and Tutton salt analogue zinc creatininium sulfate to determine its crystal structure, to characterize the electronic structure of the doped Cu(II) binding site, and to propose a pathway for an excited-state, proton-coupled electron transfer (PCET) process in UV-exposed crystals. The crystal structure is isomorphous to that of cadmium creatininium sulfate, which has the transition ion, not in direct coordination with the creatinine, but forming a hexahydrate complex, which is bridged to a creatininium through an intervening sulfate ion. The EPR g (2.446, 2.112, 2.082) and copper hyperfine (A Cu : -327, -59.6, 10.8 MHz) tensor parameters are consistent with doped copper replacing host zinc in the metal–hexahydrate complex. These parameters are similar to those observed for copper hexahydrate in doped Tutton salt systems at low temperature, where the unpaired electron occupies mainly the copper 3d x 2 –y 2 orbital. At room temperature in the Tutton systems, vibration couplings stemming from a dynamic Jahn–Teller effect cause tensor averaging which results in a reduction in their maximum g-tensor and hyperfine tensor values. However, like for the doped isomorphous Cd creatinine crystal, the Cu(II) EPR exhibits little, or no room temperature averaging compared to its low temperature pattern. Samples exposed to 254 nm UV light generate a carbon-centered free radical species, characterized by an isotropic g-tensor (g = 2.0029) and an alpha-proton hyperfine coupling (-24 -14 +4 G). These parameters identify it as a creatinine radical cation formed by the oxidative release of one of its C2 methylene hydrogens. DFT calculations confirm the unpaired electronic structures of both the Cu(II) site and free radical. The growth in radical concentration with an increase in the UV exposure time coincides with a decrease in the copper EPR signal, indicating a coupled light-induced oxidation reduction process. A comparison of the crystal structure with the EPR parameters and DFT results provides evidence for a UV-induced PCET.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Efficacy of Stabilizing Calcium Battery Electrolytes through Salt-Directed Coordination Change

Achieving practical, high-energy-density calcium batteries requires controlling the stability of Ca 2+ electrolytes during calcium metal cycling. Because of the highly reactive nature of calcium, most typical electrolyte constituents are unstable, leading to electrode passivation and low Coulombic efficiency. Among various commercially available salts, calcium bis(trifluoromethylsulfonyl)imide (Ca(TFSI) 2 ) is attractive because of its oxidative stability and high solubility in a variety of solvents. However, this salt does not allow for calcium metal plating, and it has been proposed that TFSI – instability induced by Ca 2+ coordination is to blame. In this work, we test the ability of strongly coordinating Ca 2+ cosalts such as halides and borohydrides to displace TFSI – from the first coordination shell of Ca 2+ and thereby stabilize TFSI-based electrolytes to enable calcium plating. Through spectroscopic analysis, we find that the effectiveness of these cosalts at displacing the TFSI – anion is dependent on the solvent’s coordination strength toward Ca 2+ . Surprisingly, electrochemical calcium deposition behavior is not correlated to the population of bound or free TFSI – . Instead, the nature of the coordination interaction between Ca 2+ and the cosalt anion is more important for determining stability. Our findings indicate that TFSI – anions are inherently unstable during calcium deposition even in the nominally free state. Furthermore, strategies aimed at eliminating the interactions of these anions with the electrode surface via interface/interphase design are required.

25 ENERGY STORAGE↗

SSP‐Based Land‐Use Change Scenarios: A Critical Uncertainty in Future Regional Climate Change Projections

Abstract To better understand the role projected land‐use changes (LUCs) may play in future regional climate projections, we assess the combined effects of greenhouse‐gas (GHG)‐forced climate change and LUCs in regional climate model (RCM) simulations. To do so, we produced RCM simulations that are complementary to the North‐American Coordinated Regional Downscaling Experiment (NA‐CORDEX) simulations, but with future LUCs that are consistent with particular Shared Socioeconomic Pathways (SSPs) and related to a specific Representative Concentration Pathway (RCP). We examine the state of the climate at the end of the 21st century with and without two urban and agricultural LUC scenarios that follow SSP3 and SSP5 using the Weather Research and Forecasting (WRF) model forced by one global climate model, the MPI‐ESM, under the RCP8.5 scenario. We find that LUCs following different societal trends under the SSPs can significantly affect climate projections in different ways. In regions of significant cropland expansion over previously forested area, projected annual mean temperature increases are diminished by around 0.5°C–1.0°C. Across all seasons, where urbanization is high, projected temperature increases are magnified. In particular, summer mean temperature projections are up to 4°C–5°C greater and minimum and maximum temperature projections are increased by 2.5°C–6°C, amounts that are on par with the warming due to GHG‐forced climate change. Warming is also enhanced in the urban surroundings. Future urbanization also has a large influence on precipitation projections during summer, increasing storm intensity, event length, and the overall amount over urbanized areas, and decreasing precipitation in surrounding areas.

Bukovsky, Melissa S.↗

Improvement of Atmospheric Objective Analysis Over Sloping Terrain and Its Impact on Shallow-Cumulus Clouds in Large-Eddy Simulations

Surface topography strongly impacts the regional atmospheric circulation dynamically and thermodynamically. Over the Great Plains in the United States, the gently tilted slope is an important factor that impacts clouds, convection and regional circulations. This study enhances an atmospheric constrained variational analysis by using a terrain-following sigma vertical coordinate and applies to the data collected at the Southern Great Plain (SGP) site of the Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) program. Sensitivity studies are performed to examine the impact of the terrain effects on the derived large-scale atmospheric forcing fields and the simulated shallow-cumulus clouds in large-eddy simulation (LES) driven by the forcing. We found that the terrain impacts on the large-scale forcing fields are mainly at lower levels and are strongly controlled by up/downslope winds. The response of the derived forcing to the slope of the terrain is monotonic, but the response of the simulated shallow-cumulus clouds is more complex and depends on several factors. Overall, the terrain impact is small over SGP due to the small slope angle. However, the flat-surface assumption may cause larger biases in the large-scale forcing fields at locations with steeper terrain. The new sigma-coordinate algorithm, with its consideration of surface slope, should be more suitable to derive large-scale objective analysis over regions with steep terrain for application to force single-column models, cloud resolving models and LES models.

54 ENVIRONMENTAL SCIENCES↗