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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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At least 631 records · Page 35

Influence of surface chemistry on Li nucleation energetics on graphene-based surfaces

Lithium metal is a promising high-capacity anode material for solid-state batteries, but it typically suffers from poor cyclability. Carbon scaffold hosts have the potential to improve this performance due to their high electronic conductivity and large surface area, which facilitates lithium-ion adsorption and desorption. Scaffold surface chemistry is known to significantly influence performance outcomes, but the details of these interactions are not fully understood. Here, this study employs first-principles simulations to explore lithium transport and nucleation on graphene anodes with various surface chemistries. Using enhanced sampling techniques, ab initio molecular dynamics, and density functional theory calculations, we find that although surface chemistry has a minimal impact on lithium interfacial transport, it influences surface nucleation significantly. Both heteroatom dopants and intrinsic defects lower the nucleation barrier, creating a more favorable environment for lithium nucleation compared to pristine graphene. In addition, our results reveal a complex interplay between surface lithium concentration, lithium transport, and nucleation kinetics. These findings highlight the potential of surface modifications to precisely control nucleation processes on carbon-based anodes and provide design guidance for reducing dendrite formation and improving the cycle life of solid-state batteries.

36 MATERIALS SCIENCE↗

Nucleation-promoting and growth-limiting synthesis of disordered rock-salt Li-ion cathode materials

Disordered rock-salt oxides and oxyfluorides are promising positive electrode materials for high-performance lithium-ion batteries free of nickel and cobalt. However, conventional synthesis methods rely on post-synthesis pulverization to achieve cycling-appropriate particle sizes, offering limited control over particle microstructure and crystallinity. This accelerates degradation and complicates secondary particle processing. Here we present a synthesis strategy that enhances nucleation while suppressing particle growth and agglomeration across various disordered rock-salt compositions, including lithium–manganese–titanium oxide, lithium–manganese–niobium oxide, and lithium–nickel–titanium oxide systems. Applied to Li 1.2 Mn 0.4 Ti 0.4 O 2 , this method yields highly crystalline, well-dispersed sub-200 nm particles that form homogeneous electrode films with stable cycling behavior. Tested in cells with lithium metal as the counter electrode, these electrodes deliver ~200 mAh/g with 85% capacity retention relative to the first cycle after 100 cycles (20 mA/g, 1.5–4.8 V), and an average discharge voltage loss of 4.8 mV per cycle, compared to 38.6% retention and 7.5 mV loss per cycle for electrodes derived from pulverized solid-state particles. This approach suggests a route to enhance the performance and durability of disordered rock-salt electrodes for sustainable lithium-ion batteries.

Batteries↗

Battery Equivalent Model for Residential HVAC

Flexible loads, especially heating, ventilation, and air-conditioning (HVAC) systems can be used to provide a battery-like service to the power grid by varying their demand up and down over a baseline. Recent work has reported that the round-trip efficiency for providing grid services with HVAC systems can be close to 1. Inspired by this promising result, in this work, we rigorously develop a battery equivalent model (BEM) for residential HVAC systems. Relying only on typically available data, the proposed BEM will bridge the observability and controllability gaps between utility companies and customers. The proposed BEM will enable the utility companies to manage the flexible HVAC devices as easy as charging/discharging the conventional energy storage devices. Validated physics-based models are used to train the BEM, whose prediction accuracy is illustrated through a simulation study.

Dong, Jin↗

ELECTRIFICATION OF A HEAVY-DUTY OFF-ROAD MATERIAL HANDLER: ENERGY SAVINGS AND EMISSION REDUCTIONS

Federal regulations are driving the adoption of electrification technologies to reduce carbon dioxide equivalent (CO2e) emissions, a metric that quantifies the global warming potential of various greenhouse gases in terms of carbon dioxide (CO2). Although no specific CO2 regulations exist for heavy-duty off-road machines, future reductions are likely, given stricter emissions standards for on-road vehicles. The heavy-duty off-road sector offers significant fuel-saving potential, as its focus has traditionally been on reliability and performance rather than fuel efficiency. This dissertation examines fuel and CO2e savings opportunities on a heavy-duty off-road material handler, the Pettibone Cary-Lift 204i, from stock configuration to simple modifications to a complete teardown and reconfiguration of the machine with a plug-in series hybrid architecture using electrified hydraulics. The study begins by modeling the baseline machine’s fuel and energy consumption, calibrating with experimental data from custom operating cycles. An energy analysis identifies key areas for fuel savings. Two simple powertrain modifications result in a combined 16.2% fuel savings. Next, a Pugh-style analysis narrows a list of electrified architectures, leading to high-fidelity models that evaluate total lifetime CO2e and costs. Higher electrification levels reduce CO2e emissions but increase costs, and electricity grid emissions significantly impact CO2e for plug-in architectures. A plug-in series hybrid is chosen for the project. In its base control form, 49% fuel and 29% CO2e savings are expected from the plug-in series hybrid compared to the baseline machine. Further savings are pursued through regenerative braking (6.3%) and load-following hydraulic control (17.8%), totaling 24.1% fuel savings, and leading to a total of 61% fuel and 41% CO2e savings compared to the baseline. Battery chemistries and charging strategies are also analyzed for cost and CO2e impacts, finding LFP batteries as superior due to longevity, and overnight level 2 charging usually at a lower cost but resulting in higher emissions than opportunity DC fast-charging (DCFC). DCFC emissions are highly dependent on grid emissions, and DCFC cost is highly dependent on grid demand charges. Finally, artificial intelligence is applied to operating cycle recognition. Neural network accuracy ranges from 81% to 99%, with applications to worksite efficiency and safety improvements.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Advancing Concentrating Solar Thermal Modeling Using System Advisor Model (SAM)

Concentrating solar thermal (CST) technologies play a critical role in enabling dispatchable power and high-temperature industrial heat applications. Accurate and flexible modeling tools are essential for evaluating system performance, guiding technology research and development, and informing investment decisions. The National Laboratory of the Rockies's System Advisor Model (SAM) is a widely used techno-economic simulation platform for CST systems, providing detailed performance and financial modeling capabilities for multiple CST system configurations. SAM integrates physics-based performance models with financial analysis to simulate the behavior of complex energy systems under realistic operating conditions. For CST technologies (including tower, parabolic trough, and linear Fresnel), SAM enables hourly simulations using site-specific weather data that ensure feasible operating conditions and convergence of mass and energy between core system components (i.e., solar field, receiver, thermal energy storage, and power cycle). These capabilities allow researchers and developers to evaluate annual energy production, capacity factors, levelized cost of energy (LCOE), and system dispatch strategies. A key advantage of SAM lies in its flexibility for parametric analysis and large-scale computational studies. Users can vary system design parameters such as heliostat field layout, receiver dimensions, thermal energy storage capacity, power block sizing, and installation cost assumptions to investigate their impact on system performance and financial metrics. When combined with automated scripting through LK, SDKTool, or Python interfaces, SAM enables high-throughput simulation workflows that support sensitivity analysis, technology benchmarking, and optimization studies. These approaches are particularly valuable for next-generation CST concepts, where design spaces are large and system interactions are complex. Another important capability of SAM is its support for dispatch optimization and thermal energy storage modeling, which are central to the value proposition of CST technologies. The ability to simulate integrated storage and flexible power generation allows researchers to explore strategies that maximize grid value, improve capacity utilization, and enhance integration with variable resources such as photovoltaic and wind generation. This poster will present an overview of SAM's thermal system modeling capabilities including concentrating solar. Additionally, we will highlight new feature developments including: 1) implementing Google's OR-Tools optimization platform for faster and more robust dispatch optimization, 2) developing a new power load following controller for modeling behind-the-meter applications, 3) enabling direct modeling of CSP-PV hybrid systems with the inclusion of battery storage, and 4) developing a multi-receiver falling particle Gen3 system model.

14 SOLAR ENERGY↗

Low Carbon Technology Strategies: Supermarket

This document includes steps that building owners and operators can implement to achieve smart, healthy, and low-carbon supermarkets within their existing building portfolios. Supermarkets include built-up refrigeration systems and refrigerated display cases and often use packaged rooftop units for heating, cooling, and ventilation.

analytics↗

Low Carbon Technology Strategies: Midrise Apartment

This document includes steps that building owners and operators can implement to achieve smart, healthy, and low-carbon midrise apartment buildings within their existing building portfolios. Midrise apartments may use packaged rooftop units for heating, cooling, and ventilation or central plant systems for larger buildings.

analytics↗

Low Carbon Technology Strategies: Secondary School

This document includes steps that building owners and operators can implement to achieve smart, healthy, and low-carbon secondary schools within their existing building portfolios. Secondary schools often include complex heating and cooling systems or packaged rooftop units and can include specialty equipment for gymnasiums, pools, and buses.

analytics↗

Low Carbon Technology Strategies: Primary School

This document includes steps that building owners and operators can implement to achieve smart, healthy, and low-carbon primary schools within their existing building portfolios. Primary schools often use packaged rooftop units for heating, cooling, and ventilation.

analytics↗

Low Carbon Technology Strategies: Hospital

This document includes steps that building owners and operators can implement to achieve smart, healthy, and low-carbon hospitals within their existing building portfolios. Hospitals typically include complex heating and cooling systems and specialty medical equipment.

analytics↗

Low Carbon Technology Strategies: Small Hotel

This document includes steps that building owners and operators can implement to achieve smart, healthy, and low-carbon small hotels within their existing building portfolios. Small hotels are typically four floors or less and less than 50,000 square feet and often use packaged rooftop units for heating, cooling, and ventilation.

analytics↗

Low Carbon Technology Strategies: Stand-Alone Retail and Strip Mall

This document includes steps that building owners and operators can implement to achieve smart, healthy, and low-carbon retail buildings within their existing building portfolios. Stand-alone retail and strip malls often use packaged rooftop units for heating, cooling, and ventilation.

analytics↗

Hierarchically structured metal carbides as conductive fillers in thermo-responsive polymer nanocomposites for battery safety

Integrating thermo-responsive polymer switching materials (TRPS) into lithium-ion batteries (LIBs) has been recognized as one of the most effective strategies to prevent thermal runaway under various abuse scenarios. However, the current methods to obtain TRPS cannot satisfy different practical applications. Herein, we develop a versatile strategy for the preparation of various metal carbides (e.g., tungsten carbide, molybdenum carbide) with controllable hierarchical structure that is featured with surface protrusion structure, which is critical for high conductivity and rapid thermal response. Systematic studies of the phase and morphology evolutions by advanced characterizations illustrate that the reducing agent and reduction rate are critical for developing the specific morphology. In conclusion, by using the above-mentioned carbides as the conductive fillers of TRPS, the resulting TRPS with a specially controlled shape exhibits over 5 order of conductivity improvement compared with common carbides with particulate morphology, in addition to reversible shutdown performance and effective thermal abuse protections toward safe LIB operation.

25 ENERGY STORAGE↗

Synergy of Graphene Nanoribbons and Graphene Sheets for High-Rate Lithium-Sulfur Batteries

According to the increasing demands for shortening the battery charging time, high current rate (C-rate) performances become more significant in practical applications. With a higher theoretical capacity, lithium-sulfur batteries are treated as promising candidates for the next-generation batteries. In this work, the utilization of graphene nanoribbons (GNRs) exhibits the benefits in conductivity and other electrochemical performances, especially for high-rate applications. With air-controlled electrospray as the method, carbon encapsulated sulfur particles, poly(acrylic acid), reduced graphene oxide (rGO) sheets, and GNRs are mixed and directly deposited onto the carbon coated aluminum collector, to employ as the cathode. The scanning electron microscopy (SEM) imaging exhibits that the two-dimensional structure of GNRs helps construct inter-connected networks. This improved structure of cathode can increase the electroconductivity, confirmed by the electrochemical impedance spectroscopy (EIS), and modify the porosity, indicated through pore size distribution profiles. In this way, the polysulfides can be more efficiently trapped and utilized, realizing the promising behavior with faster charge transfer. In terms of the cycling performance at 0.2 C, the batteries with GNRs can perform 18% higher in capacity than those without GNRs, without decreasing the charge retention. According to the rate-capability tests, systems with GNRs can achieve enhanced performance compared to batteries with precursor carbon nanotubes (CNTs), especially at high C-rates. At 2 C, with 80 wt % of graphene-based materials as GNRs, batteries can achieve an increase in capacity by 78% and 41% compared with systems without GNRs and those with CNTs, respectively. Accordingly, the results testify the synergy of GNRs and rGO sheets in Li-S batteries.

25 ENERGY STORAGE↗

Thermodynamic controls on the synthesis, structure and reactivity of materials for energy (Final Report)

The major objectives of this renewal proposal, now entitled “Thermodynamic Controls on the Synthesis, Structure and Reactivity of Materials for Energy,” are: (a) to advance and use unique calorimetric capabilities to determine the energetics of materials relevant to energy applications, with an emphasis on new materials, (b) to understand, in terms of both macroscopic energetics and microscopic structure and bonding, the interplay of defect chemistry, oxidation-reduction and size effects at the nanoscale in determining the properties of functional oxide materials and of new classes of non-oxide materials. Recent developments have generated great excitement in organic-inorganic hybrid materials such as the alkylammonium lead halide perovskites. Our current work has emphasized fluorite-based solid electrolytes, perovskites and lithium battery materials. The systematic trends seen enable a more holistic view of the relation of thermodynamics to materials discovery and synthesis. The proposed work more explicitly targets thermodynamic controls on metastability, energy landscapes, surface and nanoscale effects, and pathways of synthesis and decomposition. This project is leveraged by many U.S. and international collaborations that both extend the science and provide opportunities for work in a diverse global setting.

36 MATERIALS SCIENCE↗

The Impact of Behind-the-Meter Heterogeneous Distributed Energy Resources on Distribution Grids

The increasing integration of distributed energy resources (DERs) on the electric grid brings new challenges and opportunities for utility grid operations. With the rapid deployment of DERs, there is emerging interest in integrating these controllable devices with utility operations at all levels for monitoring and management. To understand the challenges with increasing behind-the-meter (BTM) DERs and to identify the needs in deploying advanced controls, a comprehensive grid impact study is indispensable. This paper presents the analysis which help visualize the DER impact on the grid, identify the challenges and provides an insight into the new distribution management and control needs to enable reliable and resilient grid operations.

behind-the-meter↗

Advanced Distributed Wind Turbine Controls Series: Part 2-Wind Energy in Isolated Grids – Microgrids, Infrastructure Resilience, and Advanced Controls Launchpad (MIRACL)

In an isolated grid, wind turbines are typically deployed to provide energy to maximize energy production, reduce diesel-fuel consumption, reduce carbon emissions, and reduce costs for energy and fuel transportation. However, in addition to solely providing energy to the power system, wind turbines contain rotating masses and inverter-based controls that can enable various reliability and resilience services through advance controls. As part of the Microgrids, Infrastructure Resilience, and Advanced Controls Launchpad (MIRACL) this paper demonstrates, through desktop simulations, advanced wind turbine controls that can be employed to support higher contributions of wind in isolated grids, and to demonstrate ways that wind can play a role in supporting stability of an isolated grid. This isolated grid used in these desktop simulations is comprised of a wind turbine (600 kW), solar PV (430 kW), battery energy storage system (1 MW/1MWh), a simulated diesel generator (2 MW) and various types of loads (critical, dynamic). We developed a model of the subsystems in MATLAB/Simulink and validated them with available data from real-world components on NREL's Flatirons Campus. These validated models are then configured for various case studies. We compare the output of the desktop simulation with a baseline case with the diesel generator. Active and reactive power control of the wind turbine can help improve frequency and voltage responses in the isolated grid, respectively. By utilizing a small integrated battery energy storage system in the DC-link of the wind turbine, we also demonstrate that wind turbines can help blackstart a critical load comparable to its rated power and support other renewables (e.g. solar PV) come online and pick up an additional load. This report illustrates some of these reliability and resilience services a wind turbine can provide in an isolated grid.

17 WIND ENERGY↗

Decoding Li + /Na + Exchange Route Toward High-Performance Mn-Based Layered Cathodes for Li-Ion Batteries

Li + /Na + exchange has been extensively explored as an effective method to prepare high-performance Mn-based layered cathodes for Li-ion batteries, since the first report in 1996 by P. G. Bruce (Nature, 1996. 381, 499–500). Understanding the detailed structural changes during the ion-exchange process is crucial to implement the synthetic control of high-performance layered Mn-based cathodes, but less studied. Herein, in situ synchrotron X-ray diffraction, density functional theory calculations, and electrochemical tests are combined to conduct the systemic studies into the structural changes during the ion-exchange process of an Mn-only layered cathode O3-type Li 0.67 [Li 0.22 Mn 0.78 ]O 2 (LLMO) from the corresponding counterpart P3-type Na 0.67 [Li 0.22 Mn 0.78 ]O 2 (NLMO). The temperature-resolved observations combined with theoretical calculations reveal that the Li + /Na + exchange is favorable thermodynamically and composited with two tandem topotactic phase transitions: 1) from NLMO to a layered intermediate through ≈60% of Li + /Na + exchange. 2) then to the final layered product LLMO through further Li insertion. Moreover, the intermediate-dominate composite is obtained by slowing down the exchange kinetics below room temperature, showing better electrochemical performance than LLMO obtained by the traditional molten-salt method. Finally, the findings provide guides for the synthetic control of high-performance Mn-based cathodes under mild conditions.

25 ENERGY STORAGE↗