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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Bioenergy Technologies in Long-Run Climate Change Mitigation: Results from the EMF-33 Study

Bioenergy is expected to play an important role in long-run climate change mitigation strategies as highlighted by many integrated assessment model (IAM) scenarios. These scenarios, however, also show a very wide range of results, with uncertainty about bioenergy conversion technology deployment and biomass feedstock supply. To date, the underlying differences in model assumptions and parameters for the range of results have not been conveyed. Here we explore the models and results of the 33rd study of the Stanford Energy Modeling Forum to elucidate and explore bioenergy technology specifications and constraints that underlie projected bioenergy outcomes. We first develop and report consistent bioenergy technology characterizations and modeling details. We evaluate the bioenergy technology specifications through a series of analyses—comparison with the literature, model intercomparison, and an assessment of bioenergy technology projected deployments. We find that bioenergy technology coverage and characterization varies substantially across models, spanning different conversion routes, carbon capture and storage opportunities, and technology deployment constraints. Still, the range of technology specification assumptions is largely in line with bottom-up engineering estimates. We then find that variation in bioenergy deployment across models cannot be understood from technology costs alone. Important additional determinants include biomass feedstock costs, the availability and costs of alternative mitigation options in and across end-uses, the availability of carbon dioxide removal possibilities, the speed with which large scale changes in the makeup of energy conversion facilities and integration can take place, and the relative demand for different energy services.

bioenergy↗
DOE OSTI2026

Opportunities and challenges in process modeling and simulation of electrochemical systems

Electrochemical technologies have garnered intense interest in both academic research and industrial applications due to their potential to increase energy efficiency and reduce carbon footprint. However, electrochemical process fundamentals have been absent from the chemical process simulators available to millions of chemical engineers worldwide. To expedite process research and development of electrochemical technologies in the chemical industry, it is imperative that essential electrochemical process fundamentals be incorporated into process simulators to support modeling and simulation of electrochemical processes. Here, this study examines three process fundamentals key to the research and development of electrochemical processes: electrochemical reaction kinetics, electrolyte thermodynamics, and heat and mass transfer. It further illustrates application of these process fundamentals with a case study modeling an electrochemical process for the conversion of acrylonitrile to adiponitrile. The modeling example highlights the roles of applied voltage on reaction rates, and electron flow rates on the performance of electrochemical processes. It suggests that the applied voltage and electron flow rates are two unique concepts that should be included in simulators for electrochemical processes.

09 BIOMASS FUELS↗
DOE OSTI2020

An overview of the Energy Modeling Forum 33rd study: Assessing large-scale global bioenergy deployment for managing climate change

Previous studies have projected a significant role for bioenergy in decarbonizing the global economy and helping realize international climate goals such as limiting global average warming to 2°C or 1.5°C. However, with significant variability in bioenergy results and significant concerns about potential environmental and social implications, greater transparency and dedicated assessment of the underlying modeling and results and more detailed understanding of the potential role of bioenergy are needed. Stanford University’s Energy Modeling Forum (EMF) initiated a 33rd study (EMF-33) to explore the viability of large-scale bioenergy as part of a comprehensive climate management strategy. This special issue presents the papers of the EMF-33 study—a multi-year inter-model comparison project designed to understand and assess global, long-run, biomass supply and bioenergy deployment potentials and related uncertainties. Using a novel scenario design with independent biomass supply and bioenergy demand protocols, EMF-33 separately elucidates and explores the modeling of biomass feedstock supplies and bioenergy technologies and their deployment—revealing, comparing, and assessing the modeling that is suggesting that bioenergy could be a key climate containment strategy. This introduction provides an overview of the EMF-33 study design and the overview, thematic, and individual modeling team papers and types of insights that make up this special issue. By providing enhanced transparency and new detailed insights, we hope to inform policy dialogue about the potential role of bioenergy and facilitate new research.

Rose, Steven K.↗
DOE OSTI2021

Screening of resonant magnetic perturbation fields assuming various plasma flow models

A recently updated version of the MARS-F code [Y. Q. Liu et al., Phys. Plasmas 7, 3681 (2000); L. Li et al., Phys. Plasmas 25, 082512 (2018); and G. L. Xia et al., Nucl. Fusion 59, 126035 (2019)] is utilized to numerically investigate the plasma screening effect on the applied resonant magnetic perturbation (RMP) field, assuming various equilibrium flow models, including the toroidal flow, the parallel flow and their combinations, and poloidal and toroidal projections of the parallel flow. A parallel equilibrium flow with a uniform radial profile is found to have no effect on plasma screening of the RMP field. A sheared parallel flow, however, does change plasma screening. The poloidal projection of the parallel flow weakens plasma screening in the resistive-inertial regime. The effect on the favorable average curvature regime is found, however, to be non-monotonic. With the increasing flow speed, the poloidal projection first weakens Glasser-Green-Johnson (GGJ)-screening. Further increase in the flow speed results in enhanced GGJ-screening again. This non-monotonic behavior is related to the perturbed parallel shielding current, which appears also off the mode rational surface at fast flow due to additional resonances between the RMP perturbation and the sound wave continuum. These results indicate that flow induced plasma screening to the RMP field can have complicated characteristics, which, in turn, can have implications on the RMP field penetration into the plasma in experiments for controlling the edge localized modes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Quality Guidelines for Energy System Studies: Process Modeling Design Parameters

The National Energy Technology Laboratory (NETL) conducts systems analysis studies that require a large number of inputs, from ambient conditions to parameters for Aspen Plus ® (Aspen) process blocks. The sheer number of assumptions required makes it impractical to document all of them in each issued report. The purpose of the Quality Guidelines for Energy System Studies (QGESS) is to document the assumptions most commonly used in system analysis studies and the basis for those assumptions. In order to develop the systems analysis models presented in various NETL reports, significant vendor data have been obtained, and these data enhance the model outputs. Much of the vendor data obtained are considered proprietary and not suitable for public release or attribution to a specific vendor. As such, several sub-systems common in NETL reports and their process parameter data are not reported in this document to protect proprietary vendor information. The values and ranges of values presented in this report represent assumptions that have been made in previous studies.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Exploring Grid-Interactive Efficient Building Strategies for Laboratories Through Energy Modeling

Laboratories are often overlooked in demand flexibility research due to constraints on their operations as mission critical facilities, despite the major role they play in an organization's emissions. Laboratories consume 3-4 times more energy than a typical office building and are commonly the largest energy users on any campus. Consequently, most laboratories in the United States are significant contributors to their organization's carbon footprint if their energy needs are met through the combustion of fossil fuels. As part of the initiative to decarbonize laboratories, this report documents an analysis on specifically grid-interactive efficient building (GEB) opportunities for reducing energy costs and emissions associated with laboratory operations. The goal of this initiative was to provide a case study and guidance on how to use OpenStudio and REopt as modeling tools for GEB technologies and strategies in laboratory environments across different climate zones in the United States. The analysis found that efficiency-based GEB strategies had the most significant impact on laboratory operations, while load-shedding and load-shifting GEB strategies produced smaller results. The culmination of these approaches applied across all five climate zones generated on average: 1) 28% energy cost savings and 30% greenhouse gas (GHG) emissions reductions, and 2) 4% enhanced energy cost savings under a time-of-use (TOU) pricing schedule compared to traditional pricing schemes. Grid-interactive efficiency building measures were found to produce the greatest energy savings in both electricity and natural gas, particularly in regions with high electrical loads, such as warm climates for cooling. Laboratories that had high levels of natural gas consumption, meanwhile, experienced the greatest emission reductions. The report concludes with an analysis on the opportunities for flexible loads in lab spaces and how small-scale measures in addition to opaque pricing structures for peak demand could become barriers to demand flexibility planning. The report also explores how electrifying laboratory buildings with heat pumps could reduce energy costs and GHG emissions.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

SAM™ (System Advisor Model™) [SWR-16-02, SWR-10-13]

See the SAM™ website to build a desktop version of the National Laboratory of the Rockies' (NLR's) System Advisor Model™ (SAM). https://sam.nlr.gov/ The System Advisor Model™ (SAM™) is a free techno-economic software model that facilitates decision-making for people in the renewable energy industry: -Project managers and engineers -Policy analysts -Technology developers -Researchers SAM can model many types of renewable energy systems: -Photovoltaic systems, from small residential rooftop to large utility-scale systems -Battery storage with Lithium ion, lead acid, or flow batteries for front-of-meter or behind-the-meter applications -Concentrating Solar Power systems for electric power generation, including parabolic trough, power tower, and linear Fresnel -Industrial process heat from parabolic trough and linear Fresnel systems -Wind power, from individual turbines to large wind farms -Marine energy wave and tidal systems -Solar water heating -Fuel cells -Geothermal power generation -Biomass combustion for power generation -High concentration photovoltaic systems SAM's financial models are for the following types of projects: -Residential and commercial projects where the renewable energy system is on the customer side of the electric utility meter (behind the meter), and power from the system is used to reduce the customer's electricity bill. -Power purchase agreement (PPA) projects where the system is connected to the grid at an interconnection point, and the project earns revenue through power sales. The project may be owned and operated by a single owner or by a partnership involving a flip or leaseback arrangement. -Third party ownership where the system is installed on the customer's (host) property and owned by a separate entity (developer), and the host is compensated for power generated by the system through either a PPA or lease agreement. For a more detailed description of SAM, see Blair et al. (2018), System Advisor Model (SAM) General Description (Version 2017.9.5), NREL/TP-6A20-70414. https://www.nrel.gov/docs/fy18osti/70414.pdf

Ryberg, David↗
DOE OSTI2025

WEST L-mode record long pulses guided by predictions using Integrated Modeling

A new record was set on the WEST Tokamak, designed to operate long duration plasmas in a tungsten (W) environment, with an injected energy of 1.15 GJ and a plasma duration 364s. Scenario development was supported by integrated modeling using the High Fidelity Plasma Simulator (HFPS), the European IMAS-coupled version of JETTO/JINTRAC, which integrates physics-driven modules into a unified framework. In particular, a reduced model for Lower-Hybrid heating and Current-Drive (LHCD) and the quasi-linear turbulent transport model TGLF are crucial for long pulses predictions up to the Last Closed Flux Surface (LCFS). Using this workflow, a 100 s reference discharge was modeled and plasma kinetic profiles and loop voltage were quantitatively well matched. In preparation for the recent long duration experiments, non-inductive current-drive actuators (I P , n e , P LHCD ) were varied to determine the operational domain going towards fully non-inductive discharges. In particular, decreasing the plasma current is shown to ease the access to such conditions, with a careful monitoring of (n e , P LHCD ) to avoid machine limitations. In addition, post-prediction experiments conducted within the investigated parameter range validated the predicted dependencies and were shown to be in quantitative agreement. Exploratory work on the use of ECCD for MHD stability purpose is also introduced.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Integrated operation scenarios: Chapter 6 of the special issue: on the path to tokamak burning plasma operation

Here we report the progress of the development and optimization of operational scenarios for ITER and beyond, focusing upon baseline, hybrid, and steady-state scenarios since 2007. This includes advancements made by the integrated operation scenarios (IOS) topical group of the international tokamak physical activity as well as contributions from the broader tokamak community. The key area of research involves developing IOSs that encompass tokamak physics, operation, and technology by utilizing integrated modeling and control strategies. This requires leveraging available actuators to simultaneously control plasma position and shape, MHD activities that could lead to disruptions, transport, plasma-wall interaction and power exhaust, fuel cycle, fusion burn, and tritium breeding. The control extends from the plasma initiation phase, through the current ramp-up, flattop, start and end of the fusion burn, and current ramp-down, to the plasma termination phase. A review of the currently developed scenarios and modeling is provided in terms of (i) optimizing plasma initiation in ITER, (ii) preparing for the low activation phase to fully commission all tokamak systems and establish and validate physics and scenario conditions in preparation for deuterim-tritium (DT) operation, (iii) developing and preparing baseline and hybrid scenarios to demonstrate the feasibility of achieving these regimes within device constraints, (iv) exploring steady-state scenarios to meet ITER’s steady-state goals, (v) evaluating and preparing actuators for ITER, (vi) developing integrated control solutions using shared actuators. The most notable achievements include; (i) the development of ITER demonstration discharges by matching various dimensionless parameters, (ii) the development of scenarios in an ITER-like tungsten environment and DT operation, and (iii) the development of scenarios in superconducting tokamaks, enabling long-pulse operations with similar coil constraints to ITER. Along with these significant achievements, outstanding issues and recommendations for further research and development are provided. Importantly, this study goes beyond simply updating the ITER Physics Basis; it carries profound implications for the broader field of burning plasma research, offering valuable insights and guidance for the next generation of fusion experiments and devices.

ITER↗
DOE OSTI2026

An AI-driven framework for evaluating local and state authorities’ permitting processes

The demand for new energy infrastructure is increasing across the United States, but heterogenous permitting processes and embedded requirements across different local jurisdictions can cause project delays, increase “soft costs,” and hinder developer expansion. This study analyzes the variability in local permitting requirements across the U.S. and develops a quantitative approach to describe their clarity and effectiveness in enabling infrastructure project development. By using an Energy Language Model (ELM), a large language model (LLM) for energy technologies, we systematically gathered permitting information from nearly 300 state-, county-, and city-level documents, creating a structured dataset of requirements and procedures on an unprecedented scale and speed. Our analysis revealed that local (city and county) permitting requirement documents are underrepresented compared to state-level guidance documents, which can impede timely and cost-effective installation of new electric infrastructure. Our validation process showed that the final database has an accuracy of approximately 95%. We, further, created a new quantitative method to score permitting requirements for clarity and efficiency, with electric vehicle supply equipment as an initial use case. The average local permitting document scored a 1.8 out of 5, which we interpret as meaning that half of the requirements developers face when installing electric infrastructure are ambiguous, increasing both cost and time. We also created a “Generalized Permit Process”, highlighting common procedural steps and identifying specific opportunities for municipalities to improve their documentation. This research establishes a systematic and scalable framework for evaluating the complexities of local infrastructure permitting processes by combining LLM-powered data collection and quantitative scoring. The framework enables policymakers and developers to identify and mitigate procedural bottlenecks, with the expectation that these improvements can accelerate application review and approval, reduce project costs, and expedite connection to utility distribution grids. As a foundational approach for streamlining local project development processes, this study’s methods are intended to be extended to a wide range of energy applications.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Development of an Assessment Methodology That Enables the Nuclear Industry to Evaluate Adoption of Advanced Automation

Nuclear power has a crucial role in providing safe, reliable, and economical carbon-free electricity for today and the future. For continued operation, many of the existing United States nuclear power plants will begin the subsequent license renewal process for extending their operating license periods. As plants extend their expected operating lifetimes, there is a significant opportunity to modernize. These plants have a much stronger business case with these extended mission periods to modernize and significantly enhance their economic viability in current and future energy markets by implementing digital technologies that support innovation, efficiency gains, and business-model transformation. Ensuring continued safety and reliability is crucial. Transformative digital technologies—including automation—that fundamentally change the concept of operation for the nuclear power plant operating model requires a critical focus on the human and technology integration element. Further, the nuclear industry has historically been reluctant to modernize due to having a risk adverse culture and lack of clarity for a transformative new state vision (Joe & Remer, 2019; Thomas et al., 2020). Common barriers include (1) the perceived value and return on investment (ROI) of digital technology, (2) the perceived risk associated with licensing, regulatory, and cybersecurity, and (3) insufficient guidance for performing digital modifications to power generation systems. This work presents a methodology to address these barriers and support the industry in adopting advanced automation and digital technology through developing a transformative vision and implementation strategy that will address the human and technology integration element. This research leverages previous LWRS Program and industry results. It draws specifically on previous LWRS Program research in the areas of advanced alarm systems, computer-based procedures, model informed decision support, and advanced human-system interface displays (e.g., overviews and task-based). The modernization methodology can be used to guide transformative thinking when integrating a set of vendor-specific capabilities to support a new concept of operations and a utility’s end-state vision. The results of this research are organized into six major sections: - Section 1 introduces the need for supporting large-scale digital modifications that will renew the technology base for extended operating life beyond 60 years - Section 2 describes the challenges that the nuclear industry is enduring with modernizing. - Section 3 summarizes the primary standards and guidance. - Section 4 presents earlier work from the LWRS Program regarding the development of a transformative conceptual design for an advanced control room of a hybrid plants. - Section 5 presents a methodology that is designed at addressing the challenges in the industry today in achieving a transformative new state vision and concept of operations. - Conclusions and next steps of this research are provided in Section 6.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2023

Unraveling capacity fading in lithium-ion batteries using advanced cyclic tests: A real-world approach

Battery lifespan estimation is essential for effective battery management systems, aiding users and manufacturers in strategic planning. However, accurately estimating battery capacity is complex, owing to diverse capacity fading phenomena tied to factors such as temperature, charge-discharge rate, and rest period duration. In this work, we present an innovative approach that integrates real-world driving behaviors into cyclic testing. Unlike conventional methods that lack rest periods and involve fixed charge-discharge rates, our approach involves 1000 unique test cycles tailored to specific objectives and applications, capturing the nuanced effects of temperature, charge-discharge rate, and rest duration on capacity fading. This yields comprehensive insights into cell-level battery degradation, unveiling growth patterns of the solid electrolyte interface (SEI) layer and lithium plating, influenced by cyclic test parameters. Here, the results yield critical empirical relations for evaluating capacity fading under specific testing conditions.

25 ENERGY STORAGE↗
DOE OSTI2020

Energy demand science for a decarbonized society in the context of the residential sector

To develop a decarbonized society, two contradictory requirements must be met: (1) reducing energy demand and (2) creating flexibility in energy demand in order to respond to fluctuations in renewable electricity generation. To help meet these requirements, conventional energy efficiency studies should be extended to incorporate “energy demand science.” This paper presents a definition of “energy demand science” and then reviews the related history and research questions of energy demand science in the context of the residential sector. It then examines three key areas that must be integrated into the next-generation energy demand science: (1) energy demand measurement with detailed granularity and analysis using cutting-edge technology, (2) energy demand modeling that helps clarify the formation mechanism of energy demand, and (3) identification of the factors that influence people's decision making, which represents typical human-dimension research. Energy demand science consists of technical, human, natural environment, demographic, and land-use dimensions, and their integration is key for the establishment of a decarbonized society.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Quantum Simulations of Fermionic Hamiltonians with Efficient Encoding and Ansatz Schemes

Here, we propose a computational protocol for quantum simulations of fermionic Hamiltonians on a quantum computer, enabling calculations on spin defect systems which were previously not feasible using conventional encodings and a unitary coupled-cluster ansatz of variational quantum eigensolvers. We combine a qubit-efficient encoding scheme mapping Slater determinants onto qubits with a modified qubitcoupled cluster ansatz and noise-mitigation techniques. Our strategy leads to a substantial improvement in the scaling of circuit gate counts and in the number of required qubits, and to a decrease in the number of required variational parameters, thus increasing the resilience to noise. We present results for spin defects of interest for quantum technologies, going beyond minimum models for the negatively charged nitrogen vacancy center in diamonds and the double vacancy in 4H silicon carbide (4H-SiC) and tackling a defect as complex as negatively charged silicon vacancy in 4H-SiC for the first time.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin–Orbit Couplings and Dynamics

The COLUMBUS program system provides the tools for performing high-level multireference (MR) computations, including the multireference configuration interaction (MRCI) method and its multireference averaged quadratic coupled cluster (MR-AQCC) extension, allowing computations on a wide range of fascinating atomic and molecular systems, including the treatment of open-shells and complicated excited state phenomena. The inclusion of spin−orbit coupling (SOC) directly within the MRCI step enables the description of systems containing heavy elements, such as lanthanides and actinides, whose properties are strongly influenced by SOC. Analytic energy gradients and nonadiabatic couplings at the correlated MRCI level provide the foundation for a variety of dynamics studies, giving insight into ultrafast photochemistry. New and ongoing method developments in COLUMBUS include the computation of spin densities, improved descriptions of ionic states, enhancements to the AQCC method, and the porting of COLUMBUS to graphical processing units (GPUs). New external interfaces enable an enhanced description of electronic resonances and molecules in strong laser fields. This work highlights these new developments while providing a detailed account of the diverse applications of COLUMBUS in recent years.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Life Cycle Analysis of Growing Canola for Biofuel Production in the United States

This study quantifies and compares the life cycle greenhouse gas (GHG) emissions of renewable diesel (RD), sustainable aviation fuel (SAF), and biodiesel (BD) produced from two U.S. canola production systems: 1) emerging intermediate winter canola, typically grown in double- or relay-cropping systems between the growing seasons of main crops, and 2) main canola, mostly spring canola but also including winter canola, which are grown as primary crops occupying the field for a full growing season. Using the Research and Development version of the Greenhouse gases, Regulated Emissions, and Energy use in Technologies (R&D GREET) model and the most up-to-date life cycle inventory data─field trial data for intermediate winter canola (>37,000 acres) and recent national survey data for spring canola─this life cycle analysis (LCA) estimates the direct emissions from canola cultivation and harvest, the conversion of canola into fuels, fuel transportation, and combustion. In addition, we account for market-mediated emissions associated with a scenario of 0.5 billion gallons per year of spring canola-based biofuels, including induced land use change (ILUC), induced other crop (nonfeedstock) production changes, and induced livestock production changes. For intermediate winter canola, these market-mediated effects were not modeled, as ILUC is expected to be negligible due to its integration into existing rotations, and data are currently insufficient to reliably quantify other market-mediated changes. The estimated life cycle direct emissions of RD/SAF derived from intermediate winter canola and main spring canola are about 32 and 33 g of CO2-equivalent per megajoule of fuel (g CO 2 e/MJ), respectively. Corresponding emissions for BD from intermediate winter canola and main spring canola are about 30 and 31 g of CO 2 e/MJ, respectively. Farming is the dominant emissions source for both canola systems, with intermediate winter canola and main spring canola emitting about 19 and 20 g of CO 2 e/MJ, respectively. ILUC and other induced changes increase emissions of main spring canola-derived RD/SAF and BD by about 18 and 17 g of CO 2 e/MJ, respectively. These results indicate that the GHG emissions of biofuels produced from the two canola systems may differ substantially due to the different land use dynamics of the systems.

biodiesel↗