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All sources NASA NTRS DOE OSTI

DOE OSTI2023

National Institute of Standards and Technology Requirements (Analysis Report)

EPOC uses the Deep Dive process to discuss and analyze current and planned science, research, or education activities and the anticipated data output of a particular use case, site, or project to help inform the strategic planning of a campus or regional networking environment. This includes understanding future needs related to network operations, network capacity upgrades, and other technological service investments. A Deep Dive comprehensively surveys major research stakeholders’ plans and processes in order to investigate data management requirements over the next 5–10 years. In October of 2022, staff members from the Engagement and Performance Operations Center (EPOC) met with researchers and staff from the National Institute of Standards and Technology (NIST) for the purpose of a Deep Dive into scientific and research drivers. The goal of this activity was to help characterize the requirements for a number of campus use cases, and to enable cyberinfrastructure support staff to better understand the needs of the researchers within the community. Material for this event included the written documentation from each of the profiled research areas, documentation about the current state of technology support, and a write-up of the discussion that took place via e-mail and video conferencing. The case studies highlighted the ongoing challenges and opportunities that NIST has in supporting a cross-section of established and emerging research use cases. Each case study mentioned unique challenges which were summarized into common needs.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE OSTI2022

PowerGridworld: A Framework for Multi-Agent Reinforcement Learning in Power Systems: Preprint

We present the PowerGridworld software package to provide users with a light-weight, modular, and customizable framework for creating power systems-focused, multi-agent gym environments that readily integrate with existing training frameworks for reinforcement learning (RL). While many frameworks exist for training multi-agent (MA) RL policies, none exist to rapidly prototype and develop the environments themselves, especially in the context of heterogeneous (composite, multi-device) power systems where power flow solutions are required to define grid-level variables and costs. PowerGridworld is an open-source software package that helps to fill this gap. To highlight PowerGridworld's key features, we present two case studies and demonstrate learning multi-agent RL policies using both OpenAI's MADDPG and RLLib's PPO algorithms where, in both cases, at least some subset of agents incorporate elements of the power flow solution at each time step as part of their reward (negative cost) structures.

MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Solid-State Transformer and Hybrid Transformer With Integrated Energy Storage in Active Distribution Grids: Technical and Economic Comparison, Dispatch, and Control

Solid-state transformer (SST) and hybrid transformer (HT) are promising alternatives to the line-frequency transformer (LFT) in smart grids. The SST features medium-frequency isolation, full controllability for voltage regulation, reactive power compensation, and the capability of battery energy storage system (BESS) integration with multiport configuration. The HT has a partially-rated converter for fractional controllability and can integrate a small BESS. Fast grid-edge voltage fluctuations from increased solar photovoltaic (PV) and electric vehicle (EV) penetration are difficult to manage for mechanical load tap changers. Hence, along with the trend towards more BESS in the grid, the controllability and the storage integration capability of the SST and HT are of strong interest. However, a review of literature shows existing SST and HT research is mostly at converter level, while system-level assessments are scarce. Assessing technical and economic impacts is critical to understanding the benefits and role of the SST and HT to guide future research, which is presented for the first time in this article. Experimental results from medium-voltage (MV) SST and MV HT prototypes are shown to confirm equipment-level feasibility, where the voltage controllability waveforms of a MV HT prototype are reported for the first time. Comparative simulations are performed on a modified IEEE 34-bus system. Here, a grid-model-less decentralized grid-edge voltage control method and a day-ahead BESS dispatch method are proposed for the SST and HT. The simulations show that the SST and HT with integrated storage can host more PV, achieve peak shaving, mitigate voltage fluctuation and reverse power flow, and support energy arbitrage for operational cost reduction, as compared to the LFT. Moreover, comprehensive analyses of net present value (NPV) and internal rate of return (IRR) are performed under different installed PV capacities, HT’s partial converter ratings, and BESS capacities. Sensitivities to future cost reductions of the PV and BESS are studied. Although the NPV and IRR are currently negative, 60% capital cost reduction or 150% revenue increase will make the SST and HT economically viable in the use case studied.

14 SOLAR ENERGY↗

DOE OSTI2020

Power Sector Transformation Pathways: Exploring Objectives, Factors, and Technology Innovations to Inform Power Sector Pathway Decisions

The power and heating sectors are responsible for around 30% of global CO2 emissions and this share is likely to grow as countries move towards electrification of the transportation and building sectors. Therefore, enabling forward-thinking, long term strategies in the power sector is a crucial area for international collaboration and support. The rapid transition of power systems toward modern, low-carbon pathways and technologies will be necessary to meet key climate goals while also enabling other critical objectives such as economic development, energy access, and energy system resiliency, among others. Many developed and developing countries are well-poised to champion power sector transformation (PST), however, further support is needed to identify pathways and implement critical near and long-term actions. To address this need, the Low Emission Development Strategies Global Partnership (LEDS GP) together with an expert team including Agora Energiewende, Energy Innovation, European Climate Foundation, Fraunhofer Institute for Systems and Innovation Research , Prayas Energy Group and LEDS Latin America and Caribbean Platform, developed a framework identifying four key pathways that can be integrated and combined to support low-carbon PST. These four pathways are: (1) Distributed Energy Resource Revolution, (2) Bulk Power Transformation, (3) Transmission and Distribution Interactivity, and (4) Distributed Transactional Future. To support exploration of pathways, this study examines PST objectives and factors that may lead countries or jurisdictions to place a greater relative emphasis on certain pathways as well as a framework and complementary tool for considering the emphasis in a hands on manner. The report provides case studies on application of the approach to bring life to the topic. The case studies include Haiti, Kenya, Mexico, Southeast Asia, and the European Union, among others. The report also presents actions to-be-taken in the near-, medium- and long-term to support the realization of pathways and long-term transformation of the power sector. The report, together with a complementary spreadsheet tool developed under the effort, can be used to enable stakeholder engagement and visioning for the power sector over the long-term, taking into account key factors and potential innovations. It can also be used to understand and inform relevant analysis tools and models based on which pathways are emphasized, and to identify key actions in the near- and medium-term to avoid lock-in of carbon-intensive technologies.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2023

A Surface Radiation Balance Dataset from Siple Dome in West Antarctica for Atmospheric and Climate Model Evaluation

Abstract A field campaign at Siple Dome in West Antarctica during the austral summer 2019/20 offers an opportunity to evaluate climate model performance, particularly cloud microphysical simulation. Over Antarctic ice sheets and ice shelves, clouds are a major regulator of the surface energy balance, and in the warm season their presence occasionally induces surface melt that can gradually weaken an ice shelf structure. This dataset from Siple Dome, obtained using transportable and solar-powered equipment, includes surface energy balance measurements, meteorology, and cloud remote sensing. To demonstrate how these data can be used to evaluate model performance, comparisons are made with meteorological reanalysis known to give generally good performance over Antarctica (ERA5). Surface albedo measurements show expected variability with observed cloud amount, and can be used to evaluate a model’s snowpack parameterization. One case study discussed involves a squall with northerly winds, during which ERA5 fails to produce cloud cover throughout one of the days. A second case study illustrates how shortwave spectroradiometer measurements that encompass the 1.6- μ m atmospheric window reveal cloud phase transitions associated with cloud life cycle. Here, continuously precipitating mixed-phase clouds become mainly liquid water clouds from local morning through the afternoon, not reproduced by ERA5. We challenge researchers to run their various regional or global models in a manner that has the large-scale meteorology follow the conditions of this field campaign, compare cloud and radiation simulations with this Siple Dome dataset, and potentially investigate why cloud microphysical simulations or other model components might produce discrepancies with these observations. significance statement Antarctica is a critical region for understanding climate change and sea level rise, as the great ice sheets and the ice shelves are subject to increasing risk as global climate warms. Climate models have difficulties over Antarctica, particularly with simulation of cloud properties that regulate snow surface melting or refreezing. Atmospheric and climate-related field work has significant challenges in the Antarctic, due to the small number of research stations that can support state-of-the-art equipment. Here we present new data from a suite of transportable and solar-powered instruments that can be deployed to remote Antarctic sites, including regions where ice shelves are most at risk, and we demonstrate how key components of climate model simulations can be evaluated against these data.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

A Data Library of Liquid Clouds Modelled With a Large Eddy Simulation Framework

We describe a library of atmospheric large eddy simulations (LES) of liquid-phase boundary layer clouds constructed to enable aerosol–cloud–turbulence interaction studies, support parameterization evaluation and development, and provide training data for machine learning applications. The simulations use a modern LES framework designed for high numerical accuracy, coupled to a detailed spectral bin microphysical scheme. Case studies are configured to represent observed conditions in four key global cloud regions—the Northeastern Atlantic, Northeastern Pacific, Continental United States and Southern Ocean—following a semi-idealised approach. The library also includes aerosol concentration halving and doubling experiments to expose the sensitivities of the case studies to aerosol perturbations. Simulation results are compared to observations on a case-by-case basis, then the library's coverage is evaluated in terms of spreads in meteorological factors and atmospheric boundary layer attributes.

aerosol↗

DOE OSTI2021

Renewable Thermal Energy Systems Designed for Industrial Process Solutions in Multiple Industries

The need for renewable heat in industry is vital for the next decade and beyond. Industrial decarbonization is a key area that must be accelerated, to foster the removal of fossil fuels from the provision of heat, especially at low temperatures. This paper looks at the development and results of case studies for understanding the economics and potential for renewable thermal energy systems (RTES), particularly in hybrid configurations to provide industrial process heat (IPH). For the case studies, these include non-concentrating e.g., heat pumps, and concentrating collectors e.g., parabolic trough collectors and direct steam generation (DSG)-linear Fresnel collectors (LFCs). The results show that a levelized cost of heat (LCOH) of $6-$8 per million British Thermal Units (MMBTU) is possible, depending on the direct normal irradiance (DNI) and the system sizing e.g., to increase the solar fractions. In Arizona for example, with a DNI of 7.36 kWh/m2/day, the base case for the DSG-LFC system with 6hrs of thermal energy storage could potentially meet a 1 MWth load 80% of the year.

concentrated solar thermal↗

DOE OSTI2023

Development of window scheduler algorithm exploiting natural ventilation and thermal mass for building energy simulation and smart home controls

Building energy simulations often rely on abstract assumptions when it comes to natural ventilation, such as ‘windows always open [or closed]’ or ‘windows open when outdoor temperature is below a certain threshold.’ However, simulations based on these assumptions fail to fully exploit the cooling potential of natural ventilation, as its effectiveness can be enhanced or diminished by various factors, including the presence of thermal mass. This issue also extends to smart home controls, where determining the window schedule becomes challenging without information about the building's response to outdoor conditions. To address these issues, this study has developed an analytical model for window operation schedules that leverages the passive cooling from natural ventilation. The analytical model was validated against a Modelica simulation. A case study utilizing the BESTEST model of ANSI/ASHRAE Standard 140 underwent validation with EnergyPlus simulations, showing strong concordance. The algorithm provides window schedule recommendations adapted to various airflow rates, thermal masses, and climate variations. Notably, the case study demonstrated that proper window scheduling could reduce indoor temperature by up to 8 °C under the given simulation settings, thereby improving resilience and indicating potential energy savings. Furthermore, the paper explores the potential opportunities and challenges this approach presents, especially for building simulation and smart home applications.

42 ENGINEERING↗

DOE OSTI2023

Air Classification of Forest Residue for Tissue and Ash Separation Efficiency

The goal of this Case Study was to evaluate the performance of air classification of logging residues toward meeting conversion CMAs for carbon and ash contents, as compared to the static status quo Base Case system in which the residues are first dried and then ground in a hammer mill with a 6 mm screen and fines less than 1.18 mm are removed. Also considered were moisture and ash impacts on throughput and Overall Operating Effectiveness (OOE), as well as delivered feedstock cost and minimum fuel selling price (MFSP). Laboratory data on the impacts of fan speed and moisture content on the separation efficiency of soil ash, needles and bark from white wood were received from FCIC Subtask 5.2: Preprocessing, High Temperature Conversion Preprocessing (Jordan Klinger and Tiasha Bhattacharjee, INL). Average throughput and energy consumption data were obtained from the Bioenergy Feedstock National User Facility (BFNUF) (Neal Yancey, INL) for the same air classifier. These data were utilized to develop the necessary response surface equations to perform throughput analysis using discrete event simulation. Feedstock-Conversion Interface Consortium. Because the Base Case status quo system utilizes drying prior to grinding, we modeled the Case Study with drying prior to air classification and subsequent grinding of the separated white wood to isolate the individual quality and cost impacts of air classification relative to the Base Case system.

CMA↗

DOE OSTI2023

Influence of building heat distribution temperatures on the energy performance and sizing of 5th generation district heating and cooling networks

This paper investigates the energy performance and sizing criteria of 5th generation district heating and cooling (5GDHC) networks as a function of the heat distribution temperature in the building systems connected to the district network. An energy simulation model of a 5GDHC network was developed in Modelica for a case study located in Denmark. Calculations were carried out for four different building heating systems. Simulation results show that reducing the heat distribution temperatures from 70 °C to 23 °C leads to around 40% annual electric energy savings (from 10.4 kWh/m 2 to 6.2 kWh/m 2 ) for the operation of the heat pumps. Heat distribution temperatures of 23 °C cause higher water mass flow rates through the network, leading to annual electric energy consumption for the circulation pumps that are almost doubled (from 0.16 kWh/m 2 to 0.3 kWh/m 2 ) compared to the reference case at 70 °C. Furthermore, the paper discusses how the results obtained from the Danish case study can be generalized and applied to other cases using a simplified mathematical approach. In conclusion, it is found that about 1.5% of electric energy savings can be achieved for each temperature degree reduction in the heat distribution system.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2025

Analysis of Transformer Magnetizing Reactance Using Describing Function in Direct Power Control of Back-to-Back Modular Multilevel Converter with Advanced Grid Support

This paper presents a Port Controlled Hamiltonian based direct power control architecture for a back-to-back modular multilevel converter system connecting two ac sources at different frequencies. The system features advanced grid support functionalities based on IEEE 1547-2018, implemented on the inverter side. The rectifier side controller ensures reference following for active and/or reactive powers and maintains the commanded dc bus voltage. The inverter side controller ensures power command following for active and reactive powers.The proposed control architecture is designed to suppress second harmonic oscillations in powers during unbalanced grid voltage sags by dynamically adjusting the currents on each ac side. This also ensures effective elimination of any second harmonic oscillations in the equivalent dc bus voltage. Validation is performed on an OPAL-RT real-time platform with case studies on unbalanced and balanced sags, demonstrating the controller's effectiveness during real time implementation. A reduced-scale laboratory prototype further verifies these case studies, with experimental results for balanced sags due to grid simulator limitations. The results confirm the robustness and efficiency of the proposed control strategy in ensuring stable and reliable operation under various grid conditions.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

Kramers–Kronig relation in attosecond transient absorption spectroscopy

The Kramers–Kronig relation (KKR) has a wide range of applications in extreme ultraviolet (XUV) and x-ray spectroscopy. However, the validity of KKR for many of these applications has not been systematically studied, while it is known to require careful attention in nonlinear and pump–probe experiments in optical domain spectroscopy. Here, we study the validity of KKR in XUV attosecond transient absorption spectroscopy pump–probe measurements both experimentally and theoretically using argon Fano resonances as a case study. Experiments are enabled by a phase-resolved method dubbed Complex Attosecond Transient-absorption Spectroscopy (CATS). Although the estimations based on the rotating-wave approximation suggest that KKR violation could be expected in the studied case, our results validate KKR and provide a solid basis for its application in a broad range of attosecond spectroscopy experiments.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2024

New York-Presbyterian and Columbia University Irving Medical Center Requirements (Analysis Report)

EPOC uses the Deep Dive process to discuss and analyze current and planned science, research, or education activities and the anticipated data output of a particular use case, site, or project to help inform the strategic planning of a campus or regional networking environment. This includes understanding future needs related to network operations, network capacity upgrades, and other technological service investments. A Deep Dive comprehensively surveys major research stakeholders’ plans and processes in order to investigate data management requirements over the next 5–10 years. Between February and June 2024, staff members from the Engagement and Performance Operations Center (EPOC) met with researchers and staff from New York-Presbyterian (NYP), Columbia University Irving Medical Center (CUIMC), and NYSERNet for the purpose of a Deep Dive into scientific and research drivers. The goal of this activity was to help characterize the requirements for a number of campus use cases, and to enable cyberinfrastructure support staff to better understand the needs of the researchers within the community. Material for this event included the written documentation from each of the profiled research areas, documentation about the current state of technology support, and a write-up of the discussion that took place via e-mail and video conferencing. The case studies highlighted the ongoing challenges and opportunities that NYP and CUIMC have in supporting a cross-section of established and emerging research use cases. Each case study mentioned unique challenges which were summarized into common needs.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Cost-Benefit Analysis of Grid-Supportive Loads for Fast Frequency Response

Flexibility in inverter-based loads could be used to support the converter-dominated power grid by offering a rapid, autonomous, and adjustable power reserve during system transients to help maintain system stability. Based on technical potential, ancillary service (AS) value, and implementation costs, this study illustrates the cost-benefit analysis of grid-supportive loads (GSLs) for the supply of fast frequency response (FFR). The net benefit for each GSL is demonstrated using a case study and relevant data sources. The findings suggest that implementation costs for enabling GSL features are low compared to the value that grid operators get from the acquisition of responsive reserve services. The authors believe that, given the rising popularity of renewable energy sources, GSLs can be a useful tool for grid stability in low-inertia systems.

cost-benefit analysis↗

DOE OSTI2021

An HPC-Based Hydrothermal Finite Element Simulator for Modeling Underground Response to Community-Scale Geothermal Energy Production

Geothermal heat, as renewable energy, shows great advantage with respect to its environmental impact due to its significantly lower CO2 emissions than conventional fossil fuel. Open and closed-loop geothermal heat pumps, which utilize shallow geothermal systems, are an efficient technology for cooling and heating buildings, especially in urban areas. Integrated use of geothermal energy technologies for district heating, cooling, and thermal energy storage can be applied to optimize the subsurface for communities to provide them with multiple sustainable energy and community resilience benefits. The utilization of the subsurface resources may lead to a variation in the underground environment, which might further impact local environmental conditions. However, very few simulators can handle such a highly complex set of coupled computations on a regional or city scale. We have developed high-performance computing (HPC) based hydrothermal finite element (FE) simulator that can simulate the subsurface and its hydrothermal conditions at a scale of tens of km. The HPC simulator enables us to investigate the subsurface thermal and hydrologic response to the built underground environment (such as basements and subways) at the community scale. In this study, a coupled hydrothermal simulator is developed based on the open-source finite element library deal.II. The HPC simulator was validated by comparing the results of a benchmark case study against COMSOL Multiphysics, in which Aquifer Thermal Energy Storage (ATES) is modeled and a process of heat injection into ATES is simulated. The use of an energy pile system at the Treasure Island redevelopment site (San Francisco, CA, USA) was selected as a case study to demonstrate the HPC capability of the developed simulator. The simulator is capable of modeling multiple city-scale geothermal scenarios in a reasonable amount of time.

Sun, Xiang↗

DOE OSTI2022

Do-calculus enables estimation of causal effects in partially observed biomolecular pathways

Abstract Motivation Estimating causal queries, such as changes in protein abundance in response to a perturbation, is a fundamental task in the analysis of biomolecular pathways. The estimation requires experimental measurements on the pathway components. However, in practice many pathway components are left unobserved (latent) because they are either unknown, or difficult to measure. Latent variable models (LVMs) are well-suited for such estimation. Unfortunately, LVM-based estimation of causal queries can be inaccurate when parameters of the latent variables are not uniquely identified, or when the number of latent variables is misspecified. This has limited the use of LVMs for causal inference in biomolecular pathways. Results In this article, we propose a general and practical approach for LVM-based estimation of causal queries. We prove that, despite the challenges above, LVM-based estimators of causal queries are accurate if the queries are identifiable according to Pearl’s do-calculus and describe an algorithm for its estimation. We illustrate the breadth and the practical utility of this approach for estimating causal queries in four synthetic and two experimental case studies, where structures of biomolecular pathways challenge the existing methods for causal query estimation. Availability and implementation The code and the data documenting all the case studies are available at https://github.com/srtaheri/LVMwithDoCalculus. Supplementary information Supplementary data are available at Bioinformatics online.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Location-allocation and public transit: An update on UCL student teacher placements

Location-allocation is a key application of GIS, with many varied applications. We present further development of a location-allocation tool for a real-world case study with UCL using public transport. The location of UCL in Greater London (UK) means that the inclusion of public transport is vital for this case study. The location-allocation is implemented as a capacitated p-median location-allocation model, using spopt, a library in the Python Spatial Analysis Library (PySAL) ecosystem. The initial results of this work are promising, with calculation times reduced by up to 60%, and the majority of students allocated shorter journey times, with further testing ongoing.

Bearman, Nick [University College London (UCL), UK↗

DOE OSTI2024

Measure this, not that: Optimizing the cost and model-based information content of measurements

Model-based design of experiments (MBDoE) is a powerful framework for selecting and calibrating science-based mathematical models from data. Here, this work extends popular MBDoE workflows by proposing a convex mixed integer (non)linear programming (MINLP) to optimize the selection of measurements. The solver MindtPy is modified to support calculating the D-optimality objective and its gradient via an external package, scipy, using the grey-box module in Pyomo. The new approach is demonstrated in two case studies: estimating highly correlated kinetics from a batch reactor and estimating transport parameters in a large-scale rotary packed bed for CO 2 capture. Both case studies show how examining the Pareto optimal trade-offs between information content measured by A- and D-optimality versus measurement budget offers practical guidance for selecting measurements for scientific experiments.

97 MATHEMATICS AND COMPUTING↗