Results for “Spatial Temporal Model” — Page 32

DOE OSTI2024

Impacts of Renewable Energy and Green Hydrogen Policies on Uttar Pradesh's Power Sector Future: Additional Modeling Scenarios to Explore Hydrogen Flexibility [Slides]

This slide deck is part of a broader program focused on supporting Indian states with long-term power system planning. More information about this program can be found at the National Renewable Energy Laboratory's "Supporting India's States With Renewable Energy Integration" web page at https://www.nrel.gov/international/india-renewable-energy-integration.html. The power sector in Uttar Pradesh, India's most populous state, is poised to transform over the next few decades due to a combination of national and state-level policies impacting both the supply and demand of electricity. The Government of Uttar Pradesh has policies and plans to develop in-state solar PV, pumped storage hydropower, and green hydrogen. Power system policymakers and utilities in Uttar Pradesh are faced with the challenges of planning a system that incorporates increasing amounts of renewable energy and storage resources, meets rising electricity demand due to economic development and green hydrogen production, and satisfies operational and reliability requirements. To support these various objectives, the National Renewable Energy Laboratory (NREL), RMI, and the Uttar Pradesh New and Renewable Energy Development Agency (UPNEDA) evaluated the least-cost pathways for the state's power sector through 2050. NREL developed a capacity expansion model that identifies investment and operational decisions for every year (2024-2050) for all of India, with detailed representation for the state of Uttar Pradesh, which can provide a framework for recurring planning studies. The purpose of this slide deck is to supplement the main study (published in May 2024) with additional modeling scenarios to explore hydrogen flexibility.

08 HYDROGEN↗

DOE OSTI2025

Steady-state mixing state of black carbon aerosols from a particle-resolved model

Abstract. Black carbon (BC) exerts a notable warming effect due to its strong light absorption, largely influenced by its “mixing state”. However, due to computational constraints, the mixing state is challenging to accurately represent in large-scale models. In this study, we employ a particle-resolved model to simulate the evolution of BC mixing state based on field observation. Our result shows that aerosol compositions, coating thickness (CT) distribution, and optical properties of BC aerosols all exhibit a tendency toward a steady state with a characteristic timescale of less than 1 d, considerably shorter than the BC atmospheric lifetime. The rapid attainment of a steady state suggests that it is reasonable to disregard this pre-steady-state period and instead concentrate on the average properties of BC across extensive spatial and temporal scales. The distribution of CT follows an exponential linear distribution and can be characterized by a single slope parameter k. This distribution is independent of the BC core's distribution. In the model simulation, the mean CT, equivalent to the 1/k, is 62 nm, which is consistent with the statistical results indicating a mean CT of 63 nm. Utilizing the slope parameter k, which effectively characterizes the CT distribution under the steady-state simplifying assumption, the BC absorption enhancement closely corresponds to the results obtained via the particle-resolved method. This study simplifies the BC mixing state description and yields a precise evaluation of the BC optical properties, which has the potential utility for modeling efforts in the refinement of the assessment of BC's radiative effects.

Zhang, Zhouyang↗

DOE OSTI2022

Quantifying transport and electrocatalytic reaction processes in a gastight rotating cylinder electrode reactor via integration of Computational Fluid Dynamics modeling and experiments

Understanding the complexity of the multiple processes of mass, momentum, charge, and heat transport, and how these affect reaction kinetics at the electrode/electrolyte interface is one of the major challenges in the field of energy and catalysis. The rapid and rational scale-up of electrocatalytic systems to industrial scales require a detailed understanding of nonlinear transport-reaction processes, accessible only through the building of multi-physics models that capture with high fidelity the complexity of real-world devices. The gastight rotating cylinder electrode (RCE) reactor is a promising lab-scale tool that can decouple transport from intrinsic kinetics to generate data for first-principle models useful in the design of industrial, electrochemical reactors. Computational Fluid Dynamics (CFD) studies have previously been used to investigate the bulk flow in RCE reactors for simple corrosion and electroplating processes. However, the quantification of changes in local concentration within the viscous layer where catalysis takes place requires capturing the correct flow conditions inside the hydrodynamic boundary layer near the surface of the electrode. Further, this requires simulations with spatial resolution in the nm and μm scale and temporal resolutions between ms and s scales that are similar to the timescales for reactions on the electrode surface. In this study, experimental electrocatalysis is combined with CFD modeling to elucidate and parameterize the hydrodynamics in a gastight RCE reactor. CFD simulations of the electrochemical ferricyanide reduction reaction under mass transport limited conditions are used to evaluate the validity of the CFD model parameters by comparing calculated dimensionless mass transport descriptors to dimensionless correlations obtained experimentally. Justifications for assumptions and details of the simulation methods used in this study are presented to provide a detailed understanding of the effect that each model parameter has on the ability to accurately simulate electrocatalysis in RCE systems. The simulation methodology reported here is a first step towards the development of multi-scale models for the study of transport dependent electrocatalytic processes, such as the electrochemical transformation of CO 2 to fuels and chemicals.

42 ENGINEERING↗

DOE OSTI2024

Spin transport of a doped Mott insulator in moiré heterostructures

Moiré superlattices of semiconducting transition metal dichalcogenide heterobilayers are model systems for investigating strongly correlated electronic phenomena. Specifically, WSe 2 /WS 2 moiré superlattices have emerged as a quantum simulator for the two-dimensional extended Hubbard model. Experimental studies of charge transport have revealed correlated Mott insulator and generalized Wigner crystal states, but spin transport of the moiré heterostructure has not yet been sufficiently explored. Here, we use spatially and temporally resolved circular dichroism spectroscopy to directly image the spin transport as a function of carrier doping and temperature in WSe 2 /WS 2 moiré heterostructures. We observe diffusive spin transport at all hole concentrations at 11 Kelvin — including the Mott insulator at one hole per moiré unit cell — where charge transport is strongly suppressed. At elevated temperatures the spin diffusion constant remains unchanged in the Mott insulator state, but it increases significantly at finite doping away from the Mott state. The doping- and temperature-dependent spin transport can be qualitatively understood using a t–J model, where spins can move via the hopping of spin-carrying charges and via the exchange interaction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Near-constant retreat rate of a terrestrial margin of the Laurentide Ice Sheet during the last deglaciation

The Laurentide Ice Sheet (LIS) was the largest ice sheet during the last glacial period. An accurate representation of its behavior during the last deglaciation is critical to understanding its influence on and response to a changing climate. Here we use 10 Be dating and Bayesian modeling to track the recession of the southwest sector of the Labrador Dome of the LIS along an ~500-km-long transect west of Lake Superior during the last deglaciation. This transect reflects terrestrial ice-margin retreat and crosses multiple moraine sets, with the southwestern part of the transect deglaciated by ca. 19 ka and the northeastern part deglaciated by ca. 10 ka. The predominant behavior of the ice margin during this interval is near-constant retreat with retreat rates varying between ~59 m/a and 38 m/a. The moraine sets mark standstills and/or readvances that in total constitute only ~17% of the retreat interval. The spatial and temporal pattern of ice-margin retreat tracked here differs from existing reconstructions that are based on using isochrons to define ice-margin positions. Acknowledging the uncertainties associated with the modeled ages of ice-margin retreat, we suggest that the overall retreat pattern is consistent with forcing by a gradual increase in Northern Hemisphere, high-latitude summer insolation. The pattern of ice-margin retreat is inconsistent with Greenland ice-core temperature records, and thus these records may not be suitable to drive models of the LIS.

58 GEOSCIENCES↗

DOE OSTI2022

Verification of MOOSE/Bison's Heat Conduction Solver Using Combined Spatiotemporal Convergence Analysis

Bison is a computational physics code that uses the finite element method to model the thermo-mechanical response of nuclear fuel. Since Bison is used to inform high-consequence decisions, it is important that its computational results are reliable and predictive. One important step in assessing the reliability and predictive capabilities of a simulation tool is the verification process, which quantifies numerical errors in a discrete solution relative to the exact solution of the mathematical model. One step in the verification process—called code verification—ensures that the implemented numerical algorithm is a faithful representation of the underlying mathematical model, including partial differential or integral equations, initial and boundary conditions, and auxiliary relationships. In this paper, the code verification process is applied to spatiotemporal heat conduction problems in Bison. Simultaneous refinement of the discretization in space and time is employed to reveal any potential mistakes in the numerical algorithms for the interactions between the spatial and temporal components of the solution. For each verification problem, the correct spatial and temporal order of accuracy is demonstrated for both first- and second-order accurate finite elements and a variety of time-integration schemes. Furthermore, these results provide strong evidence that the Bison numerical algorithm for solving spatiotemporal problems reliably represents the underlying mathematical model in MOOSE. The selected test problems can also be used in other simulation tools that numerically solve for conduction or diffusion.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Hydrologic investigations of radar-rainfall error propagation to rainfall-runoff model hydrographs

Rainfall is arguably the most important yet most variable input for rainfall-runoff hydrologic models. In this study, the authors search for the characteristics of radar-rainfall estimates that are most important for skillful streamflow predictions. They perform comprehensive hydrologic investigations of radar-rainfall characteristics, including spatiotemporal resolution, radar range visibility, statistical characterization of rainfall variability, all vis-a-vis basin characteristics such as size and river network topology. Since the true rainfall fields are unknown, the authors exploit a paradigm of using two independently constructed radar-rainfall products i.e., Multi-Radar Multi-Sensor and IFC-ZR used operationally by the Iowa Flood Center (IFC). Using the distributed hydrologic model called the Hillslope-Link Model for the domain of the state of Iowa, they evaluate streamflow prediction at 140 USGS gauge stations that monitor rivers in Iowa. Through spatial and temporal rainfall aggregation experiments, the authors show that the impact of spatial and temporal resolution of rainfall is significant typically for smaller basins while starts reducing significantly for basins larger than 1,000 km 2 . Other rainfall characteristics they explored do not reveal a strong signature in the relationship of rainfall differences between the two products and hydrograph errors. However, exploring the product similarities rather than differences reveals that the basin-wide rainfall volume has the most significant effect on streamflow prediction. The results from this study are generalizable for all rainfall observing systems.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Real-time dynamics and structures of supported subnanometer catalysts via multiscale simulations

Understanding the performance of subnanometer catalysts and how catalyst treatment and exposure to spectroscopic probe molecules change the structure requires accurate structure determination under working conditions. Experiments lack simultaneous temporal and spatial resolution and could alter the structure, and similar challenges hinder first-principles calculations from answering these questions. Here, we introduce a multiscale modeling framework to follow the evolution of subnanometer clusters at experimentally relevant time scales. We demonstrate its feasibility on Pd adsorbed on CeO 2 (111) at various catalyst loadings, temperatures, and exposures to CO. We show that sintering occurs in seconds even at room temperature and is mainly driven by free energy reduction. It leads to a kinetically (far from equilibrium) frozen ensemble of quasi-two-dimensional structures that CO chemisorption and infrared experiments probe. CO adsorption makes structures flatter and smaller. High temperatures drive very rapid sintering toward larger, stable/metastable equilibrium structures, where CO induces secondary structure changes only.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Understanding spatial and temporal drivers of variation in tree hydraulic processes and their consequences for climate feedbacks (Final Technical Report)

This is the final technical report from the first phase of a project that changed institutions. The grant was titled “Understanding spatial and temporal drivers of variation in tree hydraulic processes and their consequences for climate feedbacks.” The overall objectives of this project were to (1) provide model‐compatible datasets of key plant hydraulic traits and status for model evaluation, parameterization and validation and (2) use these data to pinpoint ecosystem responses to a changing hydroclimate by addressing both long‐term climatic drying and episodic extreme droughts. We planned to address the objectives with three research activities to quantify plant responses to chronic water stress and episodic drought: (1) generate high frequency observations of soil and plant hydraulic data across different landscape positions at multiple sites, (2) quantify plant hydraulic trait plasticity in response to experimental soil moisture reduction in situ in two central hardwood forests, and (3) simulate the carbon consequences of incorporating plant hydrodynamics and plant acclimation to water stress in the DOE‐sponsored plant hydrodynamics model FATES‐HYDRO. As of the transfer of this project to another institution, we had made substantial progress on activities 1 and 2, and started activity 3.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Model: Year-Long Reforecast, Forecast 02, Domain 01

The primary purpose of WFIP2 Model Development Team is to improve existing numerical weather prediction models in a manner that leads to improved wind forecasts in regions of complex terrain. Improvements in the models will come through better understanding of the physics associated with the wind flow in and around the wind plant across a range of temporal and spatial scales, which will be gained through WFIP2’s observational field study and analysis.

17 WIND ENERGY↗

DOE OSTI2021

wfip2.model/realtime.hrrr_esrl.graphics.01 (Model: Real Time)

The primary purpose of WFIP2 Model Development Team is to improve existing numerical weather prediction models in a manner that leads to improved wind forecasts in regions of complex terrain. Improvements in the models will come through better understanding of the physics associated with the wind flow in and around the wind plant across a range of temporal and spatial scales, which will be gained through WFIP2’s observational field study and analysis.

17 WIND ENERGY↗

DOE OSTI2021

wfip2.model/realtime.hrrr_wfip2.graphics.02 (Model: Real Time)

The primary purpose of WFIP2 Model Development Team is to improve existing numerical weather prediction models in a manner that leads to improved wind forecasts in regions of complex terrain. Improvements in the models will come through better understanding of the physics associated with the wind flow in and around the wind plant across a range of temporal and spatial scales, which will be gained through WFIP2’s observational field study and analysis.

17 WIND ENERGY↗

DOE OSTI2021

wfip2.model/realtime.hrrr_esrl.icbc.01 (Model: Real Time)

The primary purpose of WFIP2 Model Development Team is to improve existing numerical weather prediction models in a manner that leads to improved wind forecasts in regions of complex terrain. Improvements in the models will come through better understanding of the physics associated with the wind flow in and around the wind plant across a range of temporal and spatial scales, which will be gained through WFIP2’s observational field study and analysis.

17 WIND ENERGY↗

DOE OSTI2021

wfip2.model/realtime.hrrr_wfip2.icbc.02 (Model: Real Time)

The primary purpose of WFIP2 Model Development Team is to improve existing numerical weather prediction models in a manner that leads to improved wind forecasts in regions of complex terrain. Improvements in the models will come through better understanding of the physics associated with the wind flow in and around the wind plant across a range of temporal and spatial scales, which will be gained through WFIP2’s observational field study and analysis.

17 WIND ENERGY↗

DOE OSTI2021

wfip2.model/realtime.rap_esrl.icbc.01 (Model: Real Time)

The primary purpose of WFIP2 Model Development Team is to improve existing numerical weather prediction models in a manner that leads to improved wind forecasts in regions of complex terrain. Improvements in the models will come through better understanding of the physics associated with the wind flow in and around the wind plant across a range of temporal and spatial scales, which will be gained through WFIP2’s observational field study and analysis.

17 WIND ENERGY↗

DOE OSTI2022

Model: Year-Long Reforecast, Forecast, Domain 02

The primary purpose of WFIP2 Model Development Team is to improve existing numerical weather prediction models in a manner that leads to improved wind forecasts in regions of complex terrain. Improvements in the models will come through better understanding of the physics associated with the wind flow in and around the wind plant across a range of temporal and spatial scales, which will be gained through WFIP2’s observational field study and analysis.

17 WIND ENERGY↗

DOE OSTI2022

Model: Year-Long Reforecast, Forecast, Domain 01

The primary purpose of WFIP2 Model Development Team is to improve existing numerical weather prediction models in a manner that leads to improved wind forecasts in regions of complex terrain. Improvements in the models will come through better understanding of the physics associated with the wind flow in and around the wind plant across a range of temporal and spatial scales, which will be gained through WFIP2’s observational field study and analysis.

17 WIND ENERGY↗

DOE OSTI2022

Model: Year-Long Reforecast, Forecast 02, Domain 02

The primary purpose of WFIP2 Model Development Team is to improve existing numerical weather prediction models in a manner that leads to improved wind forecasts in regions of complex terrain. Improvements in the models will come through better understanding of the physics associated with the wind flow in and around the wind plant across a range of temporal and spatial scales, which will be gained through WFIP2’s observational field study and analysis.

17 WIND ENERGY↗