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At least 235 records · Page 13

Representing lateral groundwater flow from land to river in Earth system models

Lateral groundwater flow (LGF) is an important hydrologic process in controlling water table dynamics. Due to the relatively coarse spatial resolutions of land surface models, the representation of this process is often overlooked or overly simplified. In this study, we developed a hillslope-based lateral groundwater flow model. Specifically, we first developed a hillslope definition model based on an existing watershed delineation model to represent the subgrid spatial variability in topography. Building upon this hillslope definition, we then developed a physical-based lateral groundwater flow using Darcy’s equation. This model explicitly considers the relationships between the groundwater table along the hillslope and the river water table levels. We coupled this intra-grid model to the land component (E3SM Land Model: ELM) and river component (MOdel for Scale Adaptive River Transport: MOSART) of the Energy Exascale Earth System Model (E3SM). We tested both the hillslope definition model and the lateral groundwater flow model and performed sensitivity experiments using different configurations. Simulations for a single grid cell at 0.5°×0.5° within the Amazon basin show that the definition of hillslope is the key to modeling lateral flow processes and the runoff partition between surface and subsurface can be dramatically changed using the hillslope approach. Although our method provides a pathway to improve the lateral flow process, future improvements are needed to better capture the subgrid structure to account for the spatial variability in hillslopes within the simulated grid of land surface models.

54 ENVIRONMENTAL SCIENCES↗

A conservative phase-space moving-grid strategy for a 1D-2V Vlasov–Fokker–Planck Solver

In this work, we develop a conservative configuration- and velocity-space (i.e., phase-space) moving-grid strategy for the Vlasov–Fokker–Planck (VFP) equation in a planar geometry. The velocity-space grid is normalized and shifted in terms of the thermal speed and the bulk-fluid velocity, respectively. The configuration-space grid is moved according to a mesh-motion-partial-differential equation (MMPDE), which equidistributes a monitor function that is inversely proportional to the gradient-length scales of the macroscopic plasma quantities. The resulting inertial terms in the transformed VFP equations are discretized to ensure the discrete conservation of mass, momentum, and energy. To satisfy the discrete conservation theorems in the presence of phase-space mesh motion, we employ the method of discrete nonlinear constraints – explored in previous studies – but the underlying symmetries are determined in a much more efficient manner than before. The conservative grid-adaptivity strategy provides an efficient scheme that resolves important physical structures in the phase-space while controlling the computational complexity at all times. We demonstrate the favorable features of the proposed algorithm through a set of test cases of increasing complexity. The problems test independent components of the algorithms, as well as the integrated capability on settings relevant to inertial confinement fusion.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Anatomy of a Summertime Convective Event over the Arabian Region

This study investigates the structure and evolution of a summertime convective event that occurred on 14 July 2015 over the Arabian region. We use the WRF Model with 1-km horizontal grid spacing and test three PBL parameterizations: the Mellor–Yamada–Nakanishi–Niino (MYNN) scheme; the Asymmetrical Convective Model, version 2, (ACM2) scheme; and the quasi-normal scale-elimination (QNSE) scheme. Convection initiates near the Al Hajar Mountains of northern Oman at around 1100 local time (LT; 0700 UTC) and propagates northwestward. A nonorographic convective band along the west coast of the United Arab Emirates (UAE) develops after 1500 LT as a result of the convergence of cold pools with the sea breeze from the Arabian Gulf. The model simulation employing the QNSE scheme simulates the convection initiation and propagation well. Although the MYNN and ACM2 simulations show convective initiation near the Al Hajar Mountains, they fail to simulate the development of the convective band along the UAE west coast. The MYNN run simulates colder near-surface temperatures and a weaker sea breeze, whereas the ACM2 run simulates a stronger sea breeze but a drier lower troposphere. Sensitivity simulations using horizontal grid spacings of 9 and 3 km show that lower-resolution runs develop broader convective structures and weaker cold pools and horizontal wind divergence, affecting the development of convection along the west coast of the UAE. The 1-km run using the QNSE PBL scheme realistically captures the sequence of events that leads to the moist convection over the UAE and adjacent mountains.

54 ENVIRONMENTAL SCIENCES↗

Resolving glacial isostatic adjustment (GIA) in response to modern and future ice loss at marine grounding lines in West Antarctica

Accurate glacial isostatic adjustment (GIA) modelling in the cryosphere is required for interpreting satellite, geophysical and geological records and for assessing the feedbacks of Earth deformation and sea-level change on marine ice-sheet grounding lines. GIA modelling in areas of active ice loss in West Antarctica is particularly challenging because the ice is underlain by laterally varying mantle viscosities that are up to several orders of magnitude lower than the global average, leading to a faster and more localised response of the solid Earth to ongoing and future ice-sheet retreat and necessitating GIA models that incorporate 3-D viscoelastic Earth structure. Improvements to GIA models allow for computation of the viscoelastic response of the Earth to surface ice loading at sub-kilometre resolution, and ice-sheet models and observational products now provide the inputs to GIA models at comparably unprecedented detail. However, the resolution required to accurately capture GIA in models remains poorly understood, and high-resolution calculations come at heavy computational expense. We adopt a 3-D GIA model with a range of Earth structure models based on recent seismic tomography and geodetic data to perform a comprehensive analysis of the influence of grid resolution on predictions of GIA in the Amundsen Sea Embayment (ASE) in West Antarctica. Through idealised sensitivity testing down to sub-kilometre resolution with spatially isolated ice loading changes, we find that a grid resolution of ~$\frac{1}{3}$ of the radius of the load or higher is required to accurately capture the elastic response of the Earth. However, when we consider more realistic, spatially coherent ice loss scenarios based on modern observational records and future ice-sheet model projections and adopt a viscoelastic Earth, we find that predicted deformation and sea-level change along the grounding line converge to within 5 % with grid resolutions of 7.5 km or higher, and to within 2% for grid resolutions of 3.75 km and higher, even when the input ice model is on a 1 km grid. Furthermore, we show that low mantle viscosities beneath the ASE lead to viscous deformation that contributes to the instrumental record on decadal timescales and equals or dominates over elastic effects by the end of the 21st century. Our findings suggest that for the range of resolutions of 1.9–15 km that we considered, the error due to adopting a coarser grid in this region is negligible compared to the effect of neglecting viscous effects and the uncertainty in the adopted mantle viscosity structure.

54 ENVIRONMENTAL SCIENCES↗

Simulation of a PCM Integrated Heat Pump Using Time-of-Use Utility Structure based Control Strategy for Demand Response

To mitigate the variation in demand on the electric grid, thermal energy storage (TES) is an alternative to electric batteries and constructing new peaking power plants. The aggressive carbon reduction goals of the United States are accelerating the electrification of building equipment. If space heating and cooling in the US were electrified using conventional heat pump technologies, the winter electric grid peak would approximately double. Integrating TES with heat pump (HP) enables electrification of space cooling and heating devices without overtaxing the grid.This paper evaluates the benefits of a novel phase change material (PCM) integrated heat pump configuration via simulation. A one-dimensional PCM heat exchanger model which discretizes the PCM tank and refrigerant tubes into small control volumes is developed. Each control volume can have different PCM temperatures, PCM properties, and heat transfer coefficients. The PCM tank is charged by a wrapped tank condenser and discharged by an internal refrigerant coil. The PCM heat exchanger model is integrated into DOE/ORNL Heat Pump Design Model for heat pump system simulation.To demonstrate the performance of the PCM integrated heat pump, a case study in Chicago was performed. A Time-of-Use utility structure-based control strategy is implemented to schedule the PCM tank charging and discharging mode switching. Compared with a conventional electric heat pump, the PCM integrated heat pump shows superior performance on load shifting and utility cost reduction. As a result, the proposed system demonstrates 24.6% utility saving for cooling application and 25.8% utility saving for heating application.

Li, Zhenning↗

Emerging Soluble Organic Redox Materials for Next-Generation Grid Energy-Storage Applications

Soluble organic redox molecules have emerged as promising candidate active materials for multiple energy storage systems due to their structural versatility, fast redox process, high capacity storage, sustainability, and environmental friendliness. This review examines recent progress in developing such materials in green and sustainable batteries for grid applications and points out directions for future research.

Zhan, Xiaowen↗

Combining MicroED and native mass spectrometry for structural discovery of enzyme–small molecule complexes

With the goal of accelerating the discovery of small molecule–protein complexes, we leverage fast, low-dose, event-based electron counting microcrystal electron diffraction (MicroED) data collection and native mass spectrometry. This approach, which we term electron diffraction with native mass spectrometry (ED-MS), allows assignment of protein target structures bound to ligands with data obtained from crystal slurries soaked with mixtures of known inhibitors and crude biosynthetic reactions. This extends to libraries of printed ligands dispensed directly onto TEM grids for later soaking with microcrystal slurries, and complexes with noncovalent ligands. ED-MS resolves structures of the natural product, epoxide-based cysteine protease inhibitor E-64, and its biosynthetic analogs bound to the model cysteine protease, papain. It further identifies papain binding to its preferred natural products, by showing that two analogs of E-64 outcompete others in binding to papain crystals, and by detecting papain bound to E-64 and an analog from crude biosynthetic reactions, without purification. ED-MS also resolves binding of the CTX-M-14 β-lactamase, a target of active drug development, to the non-β-lactam inhibitor, avibactam, alone or in a cocktail of unrelated compounds. These results illustrate the utility of ED-MS for natural product ligand discovery and for structure-based screening of small molecule binders to macromolecular targets, promising utility for drug discovery.

MicroED↗

Demonstrating Load-Shaping Capabilities of Cost Minimizing Heat Pump Water Heater Controls with Varying Price Profiles

Increased penetration of photovoltaics and electrification of traditionally gas appliances are exacerbating existing challenges in cost-effectively balancing electricity grid supply and demand. Decarbonization without incurring expensive transmission and distribution system capacity increases requires shifting building loads from peak demand times to peak renewable production times. Grid operators are evaluating new ways of encouraging load shifting, including using time-varying price structures to provide a financial incentive. If devices incorporate price-responsive controls, a price profile could be designed to yield a wide variety of load curves as needed to optimize grid functionality. Heat pump water heaters (HPWHs) are an ideal device for price-responsive controls because the storage tank enables them to optimize the timing of electricity consumption without impacting hot water delivery service. This paper presents work demonstrating how price-responsive controls for HPWHs can provide different load profiles, as needed to stabilize the grid, in response to different price profiles. HPWH manufacturers now include web API and CTA-2045 communication capabilities which enable sending load shaping control signals. Pilot studies and preliminary programs have utilized these capabilities with uniform control strategies to reduce 4-9 PM electricity consumption. However, no studies have developed flexible controls capable of both a) responding to constantly varying price profiles and b) customizing logic to match the needs of each HPWH. Berkeley Lab's CalFlexHub project is pioneering price-driven load flexibility by developing and deploying cost-minimizing controls utilizing setpoint setting signals for fleets of HPWHs in response to varying price profiles. Control development is based on simulations using the Flexible Heat Pump Water Heater Performance Predictor which captures the control decisions of a residential, integrated HPWH manufacturer’s on-board controller. The proposed cost-reducing controls respond to constantly changing price profiles, providing the ability to change the price profile to generate load curves as needed to maintain grid stability. Preliminary simulations studying the load shaping capabilities of price-responsive controls on a fleet of 60 HPWHs have demonstrated an average of a) 135.4% increases in load during low-price periods, b) >36.8% reductions in electricity peak-price period, and c) 6.2% electricity cost savings.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Estimating the impact of tariff-driven behind-the-meter storage operation on distribution grid investments

Increasing growth of distributed solar photovoltaics (PV) and electric vehicles (EV) can strain local distribution networks and require costly upgrades. Distributed battery storage, often deployed alongside PV, can be used to mitigate those costs, depending on how batteries are operated. This study evaluates the potential deferral value of distributed battery storage across a range of tariff structures, focusing on the rate structures most commonly available to residential customers today and related variants. Deferrals are evaluated with a least-cost distribution grid expansion optimization model to identify requirements on line reconductoring, transformer upgrades, and voltage regulator installations under each tariff. Results show that TOU rates and net billing tariffs can yield meaningful deferral value, depending on specific tariff structure features. Under the best performing tariff structure tested, storage produced a median annualized deferral value of $7.18 per kW of storage capacity ( kW S ) across all feeders in the sample, though deferral values were considerably larger for feeders with peak loads that coincide with utility system peak, i.e., timing of TOU peak period. In contrast, under an unrestricted TOU design with no restrictions on grid charging or discharging, the median deferral value was $0/ kW S illustrating the critical importance of tariff structure details.

Rodriguez-Garcia, Luis↗

A Modular Optimal Power Flow Method for Integrating New Technologies in Distribution Grids

This work proposes a modular concept to build optimal power flow (OPF) models for distribution networks containing various emerging technologies under diverse ownership structures, to efficiently deal with evolving technology capabilities and information sharing or privacy constraints. This concept will support any typical OPF application (e.g., optimal dispatch of a given asset without violating grid constraints) by coordinating between grid module and technology module without the need to recreate various modeling elements as technology capability changes due to innovation. Moreover, the modularity of the proposed concept enables achieving system level objectives without sharing detailed information on module level objectives and constraints among modules. To achieve this, the proposed work develops a gradient-descent algorithm which builds upon the literature on the state-of-the-art power flow approximation. The proposed concept is demonstrated with two case studies of i) controllable loads and ii) battery energy storage system (BESS) on an actual large-scale distribution grid.

Hanif, Sarmad↗

A Hierarchical Local Electricity Market for a DER-rich Grid Edge

We report with increasing penetration of distributed energy resources (DER) in the distribution system, it is critical to design market structures that enable smooth integration of DERs. A hierarchical local electricity market (LEM) structure is proposed in this paper with a secondary market (SM) at the lower level representing secondary feeders and a primary market (PM) at the upper level, representing primary feeders, in order to effectively use DERs to increase grid efficiency and resilience. The lower level SM enforces budget, power balance, and flexibility constraints and accounts for costs related to consumers, such as their disutility, flexibility limits, and commitment reliability, while the upper level PM enforces grid physics constraints such as power balance and capacity limits, and also minimizes line losses. The hierarchical LEM is extensively evaluated using a modified IEEE-123 bus with high DER penetration, with each primary feeder consisting of at least three secondary feeders. Data from a GridLAB-D model is used to emulate realistic power injections and load profiles over the course of 24 hours. The performance of the LEM is illustrated by delineating the family of power-injection profiles across the primary and secondary feeders as well as corresponding local electricity tariffs that vary across the distribution grid. Through numerical simulations, the hierarchical LEM is shown to improve the efficiency of the market in terms of lowering overall costs, including both the distribution-level locational marginal prices (d-LMP) as well as retail tariffs paid by customers. Together, it represents an overall framework for a Distribution System Operator (DSO) who can provide the oversight for the entire LEM.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Energy and Power Evolution Over the Lifetime of a Battery

Li-ion batteries currently are dominant energy storage devices for electric vehicles. Rechargeable batteries with lower cost, longer lifetime, and higher safety are desired in support of building of a green grid infrastructure. The continued investment in new battery materials, novel battery structures, advanced manufacturing processes, and accelerated testing/validation of battery performance has led to significant progress in battery development and deployment. Battery safety/reliability, which is essential to the success of a battery technology in the real world, naturally becomes the next big topic in battery research. Recently, the increasing interest in long-duration storage, fast charging, battery secondary use, and material recycling to build a circular industry and sustainable material supply chain has compelled further attention to understand the energy/power evolution and safety over the lifetime of a battery. Here, in this short Viewpoint, we discuss some high-level analyses on the energy/power evolution of rechargeable batteries over their life cycles aiming to inspire more discussion on the safety and sustainability of some representative and emerging battery technologies.

25 ENERGY STORAGE↗

Screen-Printed SHJ Solar Cells with Complex Silver Inks

Metallization using complex metal inks has gained significant research interest due to its cost-effectiveness and ability to achieve performance comparable to traditional nanoparticle pastes. This study introduces the use of complex silver (Ag) inks applied via industrial screen-printing for silicon heterojunction (SHJ) solar cell metallization. The printed Ag lines exhibit a contact resistivity on SHJ tin-doped indium oxide (ITO) surfaces as low as approximately 0.2-12 mO cm2. Photoluminescence imaging reveals minimal surface passivation degradation (iVoc < 3.5 mV), while scanning electron microscopy (SEM) shows a denser structure compared to Ag layer from nanoparticle pastes. The printed Ag grid features thin (approximately 1 micrometer), continuous fingers approximately 100-120 micrometer wide, significantly thinner than conventional approximately 20-30 micrometer fingers produced with nanoparticle-based pastes. Double printing achieves SHJ device efficiencies exceeding 20%, the highest reported for industrial solar cell precursors using this technology. These findings highlight the potential of complex Ag inks as a sustainable alternative to particle-based pastes, reducing Ag consumption and processing temperatures without compromising efficiency.

14 SOLAR ENERGY↗

A hybrid finite volume method and smoothed particle hydrodynamics approach for efficient and accurate blast simulations

Modeling strong shock waves in fluids remains a persistent challenge in computational physics. Essential to research efforts in industry and defense, numerous methods have been devised to improve the accuracy and efficiency of shock simulations. A novel, hybrid Finite Volume Method (FVM)-Smoothed Particle Hydrodynamics (SPH) approach is capable of further improving efficiency and retaining accuracy by exploiting the favorable characteristics of each respective method. This hybrid approach is presented for shock capturing in compressible fluids. The Python framework Pyro2 is employed to simulate a coarse FVM mesh, while the Python framework PySPH is utilized to model the fluid in regions with high gradients through SPH particles. The performance of the hybrid FVM-SPH scheme, compared to the individual FVM and SPH methods, is assessed in 1 kt and 10 kt blast simulations. Our results indicate that the hybrid approach offers higher computational efficiency than SPH while preserving its accuracy and characteristics. The hybrid approach had a relative speedup of 11.3x and 22.3x over the FVM and SPH approaches for the 1 kt simulation and a relative speedup of 14.7x and 20.9x over the FVM and SPH approaches for the 10 kt simulation. The hybrid SPH algorithm enables future compressible fluid simulations with more extensive capabilities than grid-based methods alone, presenting potential applications in modeling fluid-structure interactions and solid deformation and fracturing in blast simulations.

Myers, Conner↗

Battery Energy Storage System (BESS) Licensing and Permitting [Slides]

This presentation provides an overview of the licensing, permitting, and regulatory frameworks governing Battery Energy Storage Systems (BESS) across multiple international contexts. It outlines foundational permitting considerations - including safety standards, siting requirements, regulatory and environmental obligations, and interconnection processes - alongside typical pathways for installation, approval, and inspection. The presentation summarizes key technical standards such as NFPA 855 and IEEE guidelines, and emphasizes best practices for safe and effective deployment. A series of detailed case studies from South Africa, Chile, Mexico, Brazil, Costa Rica, Honduras, and the Dominican Republic illustrates how different countries structure approval authority, evaluate environmental impacts, and integrate BESS into national grid systems. The deck concludes with insights on emerging challenges, including evolving regulatory frameworks, financial viability, and the need for pricing mechanisms that accurately value storage services.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Effects of Horizontal Resolution, Domain Size, Boundary Conditions, and Surface Heterogeneity on Coarse LES of a Convective Boundary Layer

Atmospheric properties in a convective boundary layer vary over a wide range of spatial scales and are commonly studied using large-eddy simulations (LES) in various configurations. We examine how the boundary layer depth and distribution of variability across scales are affected by LES grid spacing, domain size, inhomogeneity of surface properties, and external forcing. Two different setups of the Weather Research and Forecasting (WRF) model are analyzed. A semi-idealized configuration uses a periodic domain, flat surface, prescribed homogeneous surface heat fluxes, and horizontally uniform profiles of large-scale advective tendencies. A nested LES setup employs a larger domain and realistic initial and boundary conditions, including an interactive land surface model with representative topography and vegetation and soil types. Subdomains of identical size are analyzed for all simulations. Characteristic structure sizes are quantified using the variability scales L 50 and L 95 , defined such that features smaller than that contain 50% and 95% of the total variance, respectively. Progressive increase in L 50 from vertical velocity to temperature and moisture structures is systematically reproduced in all simulation configurations. This dependence of L 50 on the considered variable complicates the development of scale-aware parameterizations for models with grid spacing in the “terra incognita”. In simulations using a larger domain with heterogeneous surface properties, the development of internal mesoscale patterns significantly affects variance distributions inside analyzed subdomains. Sizes of boundary layer structures also strongly depend on the LES grid spacing and, in case of heterogeneous surface and topography, on location of the subdomain inside a larger computational domain.

54 ENVIRONMENTAL SCIENCES↗

Grand canonical inverse design of multicomponent colloidal crystals

Inverse design methods are powerful computational approaches for creating colloidal systems which self-assemble into a target morphology by reverse engineering the Hamiltonian of the system. Despite this, these optimization procedures tend to yield Hamiltonians which are too complex to be experimentally realized. An alternative route to complex structures involves the use of several different components, however, conventional inverse design methods do not explicitly account for the possibility of phase separation into compositionally distinct structures. We present an inverse design scheme for multicomponent colloidal systems by combining active learning with a method to directly compute their ground state phase diagrams. This explicitly accounts for phase separation and can locate stable regions of Hamiltonian parameter space which grid-based surveys are prone to miss. Using this we design low-density, binary structures with Lennard-Jones-like pairwise interactions that are simpler than in the single component case and potentially realizable in an experimental setting. This reinforces the concept that ground states of simple, multicomponent systems might be rich with previously unappreciated diversity, enabling the assembly of non-trivial structures with only few simple components instead of a single complex one.

36 MATERIALS SCIENCE↗

Challenges and Opportunities for Electric Utility Modeling and Asset Valuation Frameworks: Case Study on Valuing New Pumped Storage Hydropower

Asset valuation by electric utilities is becoming increasingly difficult in the rapidly changing electric sector. Rapid deployment of variable generation and inverter-based storage systems along with uncertain demand growth, climate, policies, and other factors create a challenging environment for understanding the value proposition of a new potential asset. This report describes an effort between the Tennessee Valley Authority (TVA) and three U.S. Department of Energy laboratories to perform a detailed review of utility modeling and analysis practices for asset valuation and identify challenges and opportunities for advancing its methods into the future. It focuses on a case study of new potential pumped storage hydropower (PSH) because of growing interest in new PSH capacity to provide energy balancing, firm capacity, and a range of ancillary services. Staff from the DOE labs conducted systematic interviews about current practices in capacity expansion modeling, production-cost modeling, hydrological modeling, and transmission stability modeling while also discussing how scenario analysis is conducted and how models and data are integrated. The effort resulted in a set of model, integration, and scenario recommendations that could be valuable to TVA, other utilities, system operators, and other stakeholders conducting integrated grid analysis. Individual model recommendations suggest exploring computational tradeoffs with detail and resolution across spatiotemporal structure, supply- and demand-side details, transmission overlays, market interactions, and ancillary services. Automated processes to pass data between models and conduct larger scenario suites could also enhance valuation practices by enabling a more consistent study of asset value across a broader range of uncertain future grid conditions where PSH could be particularly valuable. TVA and other industry stakeholders can learn from and adapt applied research-grade methods developed by DOE laboratories and other research institutions to improve decision making and accelerate progress towards a reliable, economic, sustainable energy system.

13 HYDRO ENERGY↗