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DOE OSTI2020

The mechanisms and seasonal differences of the impact of aerosols on daytime surface urban heat island effect

The urban heat island intensity (UHII) is the temperature difference between urban areas and their rural surroundings. It is commonly attributed to changes in the underlying surface structure caused by urbanization. Air pollution caused by aerosol particles can affect the UHII through changing (1) the surface energy balance by the aerosol radiative effect (ARE) and (2) planetary-boundary-layer (PBL) stability and airflow intensity by modifying thermodynamic structure, which is referred to as the aerosol dynamic effect (ADE). By analyzing satellite data and ground-based observations collected from 2001 to 2010 at 35 cities in China and using the WRF-Chem model, we find that the impact of aerosols on UHII differs considerably: reducing the UHII in summer but increasing the UHII in winter. This seasonal contrast is proposed to be caused by the different strengths of the ARE and ADE between summer and winter. In summer, the ARE on UHII is dominant over the ADE, cooling down surface temperature more strongly in urban areas than in rural areas because of much higher aerosol loading, and offsets the urban heating, therefore weakening UHII. In winter, however, the ADE is more dominant, because aerosols stabilize the PBL more in the polluted condition, weakening the near-surface heat transport over urban areas in both vertical and horizontal directions. This means that the heat accumulated in urban areas is dispersed less effectively, and thus the UHII is enhanced. These findings shed new light on the impact of the interaction between urbanization-induced surface changes and air pollution on urban climate.urban areas and their rural surroundings. It is commonly attributed to changes in the underlying surface structure caused by urbanization. Air pollution caused by aerosol particles can affect the UHII through changing (1) the surface energy balance by the aerosol radiative effect (ARE) and (2) planetary-boundary-layer (PBL) stability and airflow intensity by modifying thermodynamic structure, which is referred to as the aerosol dynamic effect (ADE). By analyzing satellite data and ground-based observations collected from 2001 to 2010 at 35 cities in China and using the WRF-Chem model, we find that the impact of aerosols on UHII differs considerably: reducing the UHII in summer but increasing the UHII in winter. This seasonal contrast is proposed to be caused by the different strengths of the ARE and ADE between summer and winter. In summer, the ARE on UHII is dominant over the ADE, cooling down surface temperature more strongly in urban areas than in rural areas because of much higher aerosol loading, and offsets the urban heating, therefore weakening UHII. In winter, however, the ADE is more dominant, because aerosols stabilize the PBL more in the polluted condition, weakening the near-surface heat transport over urban areas in both vertical and horizontal directions. This means that the heat accumulated in urban areas is dispersed less effectively, and thus the UHII is enhanced. These findings shed new light on the impact of the interaction between urbanization-induced surface changes and air pollution on urban climate.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Water use and radiation balance of miscanthus and corn on marginal land in the coastal plain region of North Carolina

Abstract Miscanthus is a perennial grass that can yield substantial amounts of biomass in land areas considered marginal. In the Coastal Plain region of North Carolina, marginal lands are typically located in coarse‐textured soils with low nutrient retention and water‐holding capacity, and high erosivity potential. Little is known about miscanthus water use under these conditions. We conducted a study to better understand the efficiency with which miscanthus uses natural resources such as water and radiant energy to produce harvestable dry biomass in comparison to corn, a typical commodity crop grown in the region. We hypothesized that under non‐limiting soil water conditions, miscanthus would have greater available energy and water use rates owing to its greater leaf area, thus leading to greater agronomic yields. Conversely, these effects would be negated under drought conditions. Our measurements showed that miscanthus intercepted more radiant energy than corn, which led to greater albedo (by 0.05), lower net radiation (by 4% or 0.4 MJ m −2 day −1 ), and lower soil heat flux (by 69% or 1.0 MJ m −2 day −1 ) than corn on average. Consequently, miscanthus had greater available energy (by 7% or 0.6 MJ m −2 day −1 ) and water use rates (by 14% or 0.5 mm day −1 ) than corn throughout the growing season on average, which partially confirmed our hypothesis. Greater water use rates and radiation interception by miscanthus did not translate to greater water‐use (1.5 g kg −1 vs. 1.6 g kg −1 ) and radiation‐use (0.9 g MJ −1 vs. 1.1 g MJ −1 ) efficiencies than corn. Compared to literature values, our data indicated that water and radiation availability were not limiting at our study site. Thus, it is likely that marginal land features present at the Coastal Plain region such as low soil fertility and high air temperatures throughout the growing season may constrain agronomic yields even if soil water and radiant energy are non‐limiting.

Carvalho, Henrique D. R.↗

DOE OSTI2022

Impacts of Sub‐Grid Topographic Representations on Surface Energy Balance and Boundary Conditions in the E3SM Land Model: A Case Study in Sierra Nevada

Abstract Sub‐grid topographic heterogeneity has large impacts on surface energy balance and land‐atmosphere interactions. However, the impacts of representing sub‐grid topographic effects in land surface models (LSMs) on surface energy balance and boundary conditions remain unclear. This study analyzed and evaluated the impacts of sub‐grid topographic representations on surface energy balance, turbulent heat flux, and scalar (co‐)variances in the Energy Exascale Earth System Model (E3SM) land model (ELM). Three sub‐grid topographic representations in ELM were compared: (a) the default sub‐grid structure (D), (b) the recently developed sub‐grid topographic structure (T), and (c) high spatial resolution (1KM). Additionally, two different solar radiation schemes in ELM were compared: (a) the default plane‐parallel radiative transfer scheme (PP) and (b) the parameterization scheme (TOP) that accounts for sub‐grid topographic effects on solar radiation. A series of offline simulations with the three grid discretization structures (D, T, and 1KM) and two schemes of solar radiation (TOP and PP) were carried out using the Sierra Nevada, California. 1KM simulations with TOP well capture the spatial heterogeneity of surface fluxes compared to Moderate Resolution Imaging Spectroradiometer remote sensing data. There are significant differences between TOP and PP in the 1‐km simulated surface energy balance, but the differences in mean values and standard deviations become small when aggregated to the grid scale (i.e., 0.5°). The T configuration better mimics the 1KM simulations with TOP than the D configuration and better captures the sub‐grid topographic effects on surface energy balance and boundary conditions. These results underline the importance of representing sub‐grid topographic heterogeneities in LSMs and motivate future research to understand the sub‐grid topographic effects on land‐atmosphere interactions over mountainous areas.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2020

What goes up must come down: impacts of deposition in a sulfate geoengineering scenario

The problem of reducing the impacts of rising anthropogenic greenhouse gas on warming temperatures has led to the proposal of using stratospheric aerosols to reflect some of the incoming solar radiation back to space. The deliberate injection of sulfur into the stratosphere to form stratospheric sulfate aerosols, emulating volcanoes, will result in sulfate deposition to the surface. We consider here an extreme sulfate geoengineering scenario necessary to maintain temperatures at 2020 levels while greenhouse gas emissions continue to grow unabated. We show that the amount of stratospheric sulfate needed could be globally balanced by the predicted decrease in tropospheric anthropogenic SO 2 emissions, but the spatial distribution would move from industrialized regions to pristine areas. We show how these changes would affect ecosystems differently depending on present day observations of soil pH, which we use to infer the potential for acid-induced aluminum toxicity across the planet.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Dynamic Ride-Matching for Large-Scale Transportation Systems

Efficient dynamic ride-matching (DRM) in large-scale transportation systems is a key driver in transport simulations to yield answers to challenging problems. Although the DRM problem is simple to solve, it quickly becomes a computationally challenging problem in large-scale transportation system simulations. Therefore, this study thoroughly examines the DRM problem dynamics and proposes an optimization-based solution framework to solve the problem efficiently. To benefit from parallel computing and reduce computational times, the problem’s network is divided into clusters utilizing a commonly used unsupervised machine learning algorithm along with a linear programming model. Then, these sub-problems are solved using another linear program to finalize the ride-matching. At the clustering level, the framework allows users adjusting cluster sizes to balance the trade-off between the computational time savings and the solution quality deviation. A case study in the Chicago Metropolitan Area, U.S., illustrates that the framework can reduce the average computational time by 58% at the cost of increasing the average pick up time by 26% compared with a system optimum, that is, non-clustered, approach. Another case study in a relatively small city, Bloomington, Illinois, U.S., shows that the framework provides quite similar results to the system-optimum approach in approximately 62% less computational time.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2025

Fuel cells for single-aisle regional aircraft: System configuration, performance and cost

A hydrogen fuel cell propelled electric aircraft can compete with incumbent turbofan technologies for single-aisle regional aircraft by coupling design of stack, air handling, thermal management, propulsion, and airframe to optimize performance. The stack operates at 95°C to facilitate heat rejection during take-off and below 75°C during cruise to extend lifetime and is oversized to satisfy power requirements at end of life. A multi-stage turbocompressor with a compression ratio >10 is selected to reach high stack power density at 11,300-m cruise altitude. The propulsion system is configured to accommodate air handling within the core duct, an inclined heat exchanger in the outer duct to limit the nacelle size, and variable area nozzles to independently control mass flows through the core and bypass ducts. The airframe is modified for maximum lift coefficient and longer balanced field length for dramatically reduced thrust during take-off, and the fuselage is stretched by 20% to store liquid hydrogen (LH 2 ). Modularization of power systems promotes safety in one engine inoperative scenarios and allows reaching specific power metrics for stack, balance-of-plant and fuel cell system (FCS), necessary for acceptable take-off weight. In conclusion, cost parity requires increase in FCS lifetime, LH 2 cost reduction, and improved FCS specific power.

Catalyst durability↗

DOE OSTI2022

The black carbon cycle and its role in the Earth system

Black carbon (BC) is produced by incomplete combustion of biomass by wildfires and burning of fossil fuels. BC is environmentally persistent over centuries to millennia, sequestering carbon in marine and terrestrial environments. However, its production, storage and dynamics, and therefore its role in the broader carbon cycling during global change, are poorly understood. Here, in this Review, we discuss BC cycling across the land-to-ocean continuum. Wildfires are the main source of BC, producing 128 ± 84 teragrams per year. Negative climate–BC feedbacks could arise as wildfire increases with anthropogenic warming, producing more BC, which in turn will sequester carbon, but the magnitude of these effects are unknown. Most BC is stored in terrestrial systems with some transported to the ocean via rivers and the atmosphere. However, the oceanic BC budget is not balanced, with known BC removal fluxes exceeding BC inputs. We demonstrate these observed inconsistencies using a simple ocean box model, which highlights key areas of future research. Measurements of BC mineralization and export rates along the land-to-ocean continuum and quantification of previously unexplored sources of oceanic BC are needed to close the global BC budget.

aquatic↗

DOE OSTI2026

Generalized Power Flow Model of an Extra High-Power Multi-Terminal HVdc Transmission Grid with Parallel-Connected and Voltage-Stacked Converters

To increase power transfer capacity of high-voltage direct current (HVdc) transmission, a new extra high-power HVdc architecture with multiple standard modular multilevel converters (MMCs) per substation has recently been introduced. This paper proposes a power flow model for a multi-terminal HVdc (MTdc) grid with this innovative substation architecture. The proposed MTdc model can be integrated seamlessly with existing ac-dc power flow algorithms with minimal modifications. The model is applicable to various MTdc grid types and topologies, different numbers of dc buses, dc lines, and MMCs per substation, along with diverse control parameters. In addition, it accurately captures both balanced and unbalanced operations of the MTdc grid. The proposed model is verified using a 5-terminal bipole MTdc grid that spans 4 areas in the Eastern Interconnection system of the USA. The numerical solutions obtained from unified and sequential ac-dc power flow algorithms under different operating conditions closely match the time-domain simulation results in PSCAD, validating the accuracy and versatility of the proposed MTdc power flow model.

Nguyen, Quan H.↗

DOE OSTI2020

Summer Proceedings 2019

The Computer Science Research Institute (CSRI) brings university faculty and students to Sandia for focused collaborative research on Department of Energy (DOE) computer and computational science problems. The institute provides an opportunity for university researchers to learn about problems in computer and computational science at DOE laboratories. Participants conduct leading-edge research, interact with scientists and engineers at the laboratories, and help transfer results of their research to programs at the labs. Some specific CSRI research interest areas are: scalable solvers, optimization, adaptivity and mesh refinement, graph-based, discrete, and combinatorial algorithms, uncertainty estimation, mesh generation, dynamic load-balancing, virus and other malicious-code defense, visualization, scalable cluster computers and heterogeneous computers, data-intensive computing, environments for scalable computing, parallel input/output, advanced architectures, and theoretical computer science. The CSRI Summer Program includes the organization of a weekly seminar series and the publication of this summer proceedings.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

CSRI Summer Proceedings 2020

The Computer Science Research Institute (CSRI) brings university faculty and students to Sandia for focused collaborative research on Department of Energy (DOE) computer and computational science problems. The institute provides an opportunity for university researchers to learn about problems in computer and computational science at DOE laboratories. Participants conduct leading-edge research, interact with scientists and engineers at the laboratories, and help transfer results of their research to programs at the labs. Some specific CSRI research interest areas are: scalable solvers, optimization, adaptivity and mesh refinement, graph-based, discrete, and combinatorial algorithms, uncertainty estimation, mesh generation, dynamic load-balancing, virus and other malicious-code defense, visualization, scalable cluster computers, data-intensive computing, environments for scalable computing, parallel input/output, advanced architectures, and theoretical computer science. The CSRI Summer Program is organized by CSRI and typically includes the organization of a weekly seminar series and the publication of a summer proceedings. In 2020, the CSRI summer program was executed completely virtually; all student interns worked from home, due to the COVID-19 pandemic.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Automated Discovery of DOminaNt physics Informed Surrogates (ADDONIS) Framework for Improving Water Cycling Predictability

Focal Areas: The primary alignment of the proposed framework is with focal area 2, because it guides the construction of a hierarchy of predictive models generated from Statistical and AI/ ML techniques. There are connections to focal areas 1 and 3 because surrogates allow for coupled data assimilation techniques where the full model is too expensive (1) and the discovered balance laws can be used as an insightful analysis tool to validate the structure of models (3).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Principles and Options for Designing Battery Energy Storage Zoning Ordinances

Deployment of battery energy storage (BESS) systems, both standalone and as part of hybrid systems paired with generation, has rapidly increased in the United States in recent years as utilities and communities have deployed storage to improve electric grid reliability and act as a cost-effective alternative to larger grid infrastructure. The modular nature of BESS technologies means systems may be built near other existing land uses, creating the potential for conflicts with neighboring landowners that can be managed and mitigated through zoning and permitting requirements established by local jurisdictions. While many cities and counties have adopted ordinances specific to BESS into their local zoning codes, these ordinances vary significantly in their requirements and level of detail. Meanwhile, many other jurisdictions, including those home to proposed or existing BESS projects, lack any specific language related to BESS in their zoning codes. Local planning and zoning officials have limited capacity and may lack the familiarity with BESS technologies needed to develop ordinances or otherwise make reasonable zoning decisions that balance safety, community impacts, and other goals. The resulting uncertainty at the local zoning level has led developers to withdraw projects in some areas and has spurred moratoria or bans on energy storage projects in others. This report intends to provide practical resources for practitioners interested in reasonable and effective local regulation of battery energy storage. It does not present a model zoning ordinance, but rather is intended to complement model ordinances developed by others by providing additional context and analysis regarding the structure of energy storage zoning ordinances and the decision points for local officials. Zoning ordinances at the city, town, and county level across the U.S. were surveyed alongside two template model ordinances to identify common elements and options for regulating the zoning and siting of BESS. Common elements identified and analyzed include definitions and general requirements, including cutoffs or tiers used to apply regulations to different system sizes and the permitted zones where jurisdictions allow BESS to be sited; visual, noise, and aesthetic requirements, including property line setbacks, fencing and visual screening, noise, and lighting requirements; and safety and planning requirements, such as site plans, decommissioning plans or funds, and requirements for access by emergency services. The report also summarizes some of the more unique regulations, including those that place additional restrictions on BESS at the local level.

25 ENERGY STORAGE↗

DOE OSTI2026

VIC-Global Parameter Dataset Sensitivity with the Variable Infiltration Capacity Model: Evaluating the importance of dynamic land surface parameters when using the VIC-Global parameter dataset

Accurate prediction of runoff is essential to water resources management, flood risk assessment, and ecosystem protection. However, many hydrological models still have relatively substantial limitations when representing the influence of land use and land cover (LULC) on runoff generation and routing. Changes in LULC, such as deforestation, urban expansion, agricultural intensification, and wetland loss, have been shown to alter the water balance at the land surface through fundamental hydrologic processes (e.g., interception, infiltration, evapotranspiration, and soil storage). However, it remains an open question what the exact magnitude and timing of these impacts are for the spatial and temporal scales commonly used in engineering applications. In this analysis we focus on one aspect of recent LULC change for assessing human impacts, which is urbanization. Specifically we seek to determine the impacts of urbanization on the magnitude and timing of surface runoff and baseflow in HUC-12 basins in Clark County, Nevada which has experienced rapid urbanization. We use the Variable Infiltration Capacity (VIC) hydrology model with a widely used off-the-shelf dataset of land surface parameters, VIC-Global, both of which have been commonly used in the past for water and energy balance modeling for large scale hydrologic studies. We examine two scenarios where the first scenario removes all urbanized land cover and parameterizes those areas of the basins as barren or open shrubland. The second scenario tests the opposite case where all areas of the basins are classified as urban regardless of their present classification. The results from the VIC model show there is a low sensitivity for daily surface runoff between scenarios. The daily baseflow values indicate similar low sensitivity to the classification change during specific periods, but then have substantial differences during other period when large precipitation events are occurring. This is likely due to the assumed parameter values for the urban land cover classification made by the VIC-Global dataset. Using a static land cover parameterization is reasonable for large domain hydrology models that are being used for near-term planning horizons (<30 years). However, longer planning horizons where feedbacks between the atmosphere and land surface are important, especially in transient climate situations, considerations for how to update land surface parameters should be incorporated.

42 ENGINEERING↗

DOE OSTI2025

Improving leaf spring phenology modelling for temperate tree species: An integration of the Farquhar–Medlyn photosynthesis model with the optimality‐based approach

Spring leaf phenology in temperate tree species is highly sensitive to climate change and significantly affects plant photosynthetic performance, resource utilization, competition and trophic interactions, thereby impacting various ecosystem functions. Although optimality-based (OPT) approaches for modelling spring phenology are increasingly recognized, the optimal representation of the underlying principle (balancing photosynthesis gains with chilling risks) remains controversial. Here, we integrated a coupled Farquhar–Medlyn photosynthesis model into an existing OPT model, and termed the resulting model R-OPT, and evaluated its performance using the PEP725 dataset, which includes 409,144 site-species-year records from across Europe. Our results show that R-OPT outperforms both the default OPT and non-optimality-based models (e.g. the chilling-forcing trade-off and growing degree day models). This improved performance is consistent within and across five focal tree species but varies by region: R-OPT excels in lowland, moist environments but is less effective in high-altitude, cold, and dry areas, possibly due to an incomplete representation of environmental constraints on photosynthetic carbon gain in these regions. Our research advances leaf spring phenology modelling by emphasizing an optimality principle that balances photosynthetic carbon gain with chilling risk, improving the representation of plant photosynthesis processes and enhancing understanding of environmental factors influencing phenology in the context of climate change.

coupled Farquhar–Medlyn photosynthesis model↗

DOE OSTI2022

Decadal forest soil respiration following stem girdling

Soil respiration (Rs) represents the largest flux of carbon (C) from forests to the atmosphere, but the long-term influence of phloem-disrupting disturbance on Rs is poorly understood, limiting robust forecasts of ecosystem C balance. Using a decade of observations from the Forest accelerated succession experiment (FASET), we examined relationships among Rs, soil temperature, soil moisture, and leaf area index (LAI) following the stem girdling-induced mortality of 40% of all canopy trees within a 39-ha area. Mean annual Rs declined by about 20% relative to the control two years after disturbance, but recovered to near pre-disturbance values within five years; this reduction correlated with LAI losses and lower Rs temperature sensitivity (i.e., Q 10 ), with the latter counteracting soil warming caused by partial canopy defoliation. These observations are consistent with progressive reductions in belowground labile C causing reductions in Rs. In conclusion, we conclude that the effects of stem girdling on Rs (1) were not immediate, occurring two years after the treatment, (2) were primarily influenced by biotic rather than soil microclimate changes, and (3) persisted for nearly a decade but were temporally dynamic, underscoring the value of long-term experiments.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Effects of a CFD-improved dimple stepped-lip piston on thermal efficiency and emissions in a medium-duty diesel engine

Diesel piston-bowl shape is a key design parameter that affects spray-wall interactions and turbulent flow development, and in turn affects the engine’s thermal efficiency and emissions. It is hypothesized that thermal efficiency can be improved by enhancing squish-region vortices as they are hypothesized to promote fuel-air mixing, leading to faster heat-release rates. However, the strength and longevity of these vortices decrease with advanced injection timings for typical stepped-lip (SL) piston geometries. Dimple stepped-lip (DSL) pistons enhance vortex formation at early injection timings. Previous engine experiments with such a bowl show 1.4% thermal efficiency gains over an SL piston. However, soot was increased dramatically [SAE 2022-01-0400]. In a previous study, a new DSL bowl was designed using non-combusting computational fluid dynamic simulations. This improved DSL bowl is predicted to promote stronger, more rotationally energetic vortices than the baseline DSL piston: it employs shallower, narrower, and steeper-curved dimples that are placed further out into the squish region. In the current experimental study, this improved bowl is tested in a medium-duty diesel engine and compared against the SL piston over an injection timing sweep at low-load and part-load operating conditions. No substantial thermal efficiency gains are achieved at the early injection timing with the improved DSL design, but soot emissions are lowered by 45% relative to the production SL piston, likely due to improved air utilization and soot oxidation. However, these benefits are lost at late injection timings, where the DSL piston renders a lower thermal efficiency than that of the SL piston. Energy balance analyses show higher wall heat transfer with the DSL piston than with the SL piston despite a 1.3% reduction in the piston surface area. Vortex enhancement may not necessarily lead to improved efficiency as more energetic squish-region vortices can lead to higher convective heat transfer losses.

42 ENGINEERING↗

DOE OSTI2021

CSRI Summer Proceedings 2021

The Computer Science Research Institute (CSRI) brings university faculty and students to Sandia National Laboratories for focused collaborative research on Department of Energy (DOE) computer and computational science problems. The institute provides an opportunity for university researches to learn about problems in computer and computational science at DOE laboratories, and help transfer results of their research to programs at the labs. Some specific CSRI research interest areas are: scalable solvers, optimization, algebraic preconditioners, graph-based, discrete, and combinatorial algorithms, uncertainty estimation, validation and verification methods, mesh generation, dynamic load-balancing, virus and other malicious-code defense, visualization, scalable cluster computers, beyond Moore’s Law computing, exascale computing tools and application design, reduced order and multiscale modeling, parallel input/output, and theoretical computer science. The CSRI Summer Program is organized by CSRI and includes a weekly seminar series and the publication of a summer proceedings.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

CSRI Summer Proceedings 2021

97 MATHEMATICS AND COMPUTING↗