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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 415 records · Page 23

Prime Time for Model-Predictive Control? Assessing the Technical and Market Readiness of Advanced Controls in Buildings

Despite three decades of extensive research and field testing that have consistently validated the benefits of Model Predictive Control (MPC) in building applications, the technology has seen limited market adoption. This paper evaluates the readiness of MPC for widespread deployment, showcases recent demonstrations and field tests across diverse building types, including residential, small commercial, large commercial, and campus settings. Our results demonstrate that MPC can optimize system operations to achieve load shifting, minimize curtailment of on-site generation, and reduce energy costs by up to 80 %, while maintaining or improving occupant comfort. We also show that MPC can effectively control large assets, such as MW-sized thermal storage systems, and respond to dynamic pricing signals. However, achieving scale remains difficult due to labor-intensive workflows, reliance on a “PhD-in-the-loop” for MPC design and maintenance, susceptibility to fragile data infrastructure, and persistent workforce education and acceptance barriers. To bridge this gap, we outline a transition from bespoke, labor intensive prototypes toward streamlined, segment-targeted deployment strategies that leverage model templates, semantic tools, and generative AI. By automating control configuration and reducing engineering effort, these recommendations provide a pathway for transforming successful research demonstrations into scalable, market ready solutions for MPC-based controls.

Pritoni, Marco↗

Improving Efficiency of Off-Road Vehicles by Novel Integration of Electric Machines and Advanced Combustion Engines

Modern off-road equipment will increasingly rely on electrified implements that will deliver precision control with a smaller footprint than hydraulics. The primary energy converter, however, will be an onboard reciprocating internal combustion engine because of the power density of hydrocarbon fuels in comparison to electrical energy storage and the remote locations where much of this equipment is deployed. Adding energy storage and electric machines creates opportunities to improve efficiency while reducing emissions. This program investigated approaches to take advantage of the extra flexibility that an enhanced electrical system to enable high-efficiency, low-emissions combustion technologies. The current program evaluated hybridization of both the torque application and air-handling systems to maximize efficiency while minimizing cost. This program designed, analyzed and tested a hybrid off-road vehicle consisting of a series electric powertrain with energy storage, an electrified air system, and a 33% downsized diesel engine. Detailed comparisons were made between the base powertrain and the developed powertrain using powertrain simulations, engine testing, and vehicle testing. The key results of the study are: • The resulting vehicle reduces fuel consumption by 5% to 15% at equal productivity. The primary improvements were due to recovery of regenerative braking losses for cycles where large transients are encountered. • The electrified air system was an enabler to allow engine downsizing. This was most important for duty-cycles where the engine primarily operated at moderate loads and had few low speed high torque conditions. • Engine level improvements showed re-optimization of the powertrain is possible when electrified air handing is available. Increased exhaust gas recirculation and advanced injection timing allowed up to a 15% reduction in brake specific fuel consumption at equal NOx and transient response. Compared to the larger engine, the downsized engine achieves up to an 18% reduction in brake specific fuel consumption over the non-road transient cycle. • The life cycle analysis and total cost of ownership study showed that the hybrid powertrain has the potential to reduce 5-year CO2 and total cost of ownership by ~6% over the baseline vehicle. The results also indicated that a pure battery electric vehicle is not feasible in this application and is likely to increase the CO2 emissions due to the CO2 from battery production. A hybrid powertrain with low carbon fuels shows the potential to substantially reduce CO2 and total cost of ownership.

02 PETROLEUM↗

Structural Characterization of Linker Shielding in ADC Site-Specific Conjugates

Background/Objectives: Antibody–Drug Conjugates (ADCs) have rapidly evolved from early, rudimentary conjugates to highly targeted and precisely engineered molecules. Despite notable clinical successes, ADCs continue to face significant challenges, including aggregation and high hydrophobicity driven by high drug-to-antibody ratios (DARs), premature payload release, dose-limiting toxicities, and suboptimal pharmacokinetics. While site-specific linker–payload conjugation has improved ADC homogeneity and stability, the structural basis of antibody–linker interactions at specific sites remains underexplored. Methods: In this work, we present the crystal structures of trastuzumab Fab and Fc domains site-specifically conjugated with a cleavable linker–payload. Results: Our findings suggest that pockets within both Fab and Fc regions may interact with and shield the linker portion of the conjugate. Conclusions: These insights highlight the previously underappreciated potential of structure-based design to drive the optimization of ADC linker chemistry and facilitate the co-design of bespoke linker–payloads tailored to individual antibody conjugation sites.

Jaime-Garza, Maru [Discovery Chemistry, Merck & Co↗

Phase Synergy Enables Low‐Power Ferroelectric Switching in HfO 2 Epitaxial Films

HfO 2 -based ferroelectric materials have emerged as leading candidates for next-generation non-volatile memory technologies, owing to their nanoscale robust ferroelectricity and complementary metal–oxide–semiconductor (CMOS) compatibility. However, challenges and debates persist in advancing and comprehensively understanding their ferroelectric behavior. In particular, conventional approaches typically regard non-ferroelectric phases as detrimental and primarily focus on suppressing their formation, yet overlooking their potentially synergistic contributions—particularly those of the tetragonal (T) phase. Here, we unambiguously clarify the beneficial role of the T-phase and introduce a phase-boundary engineering strategy that deliberately harnesses it to enhance ferroelectricity in HfO 2 films. By stabilizing optimal coherent boundaries between ferroelectric orthorhombic (O) and T phases in epitaxial La-doped HfO 2 films, we achieve significant improvements in ferroelectric properties—doubling the remanent polarization (P r ∼ 30 µC/cm 2 ) and substantially reducing the coercive field (E c ∼ 3 MV/cm) by 30% compared to low-La doped samples without such boundaries. Atomic-scale electron microscopy reveals the structural nature of the atomically sharp, coherent O–T boundaries. Combined with deep-learning enhanced molecular dynamics simulations, our results unravel that these boundaries facilitate intermediate polarization states that lower the switching energy barrier. Consequently, phase coexistence shifts from an inherent drawback to a tunable design element, offering a broadly applicable route to ultra-low-power HfO 2 -based nanoelectronics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A Faster-Than-Real-Time Framework for Reliability-Oriented Simulation of PV Inverters

Physics-of-Failure (PoF) based reliability assessment for photovoltaic (PV) inverters requires long-duration electrical and electrothermal stress histories, yet generating such stress histories with high-fidelity switching models over year long mission profiles is computationally prohibitive. Conventional methods either sacrifice modeling fidelity for speed or require runtimes that are impractical for design iteration and uncertainty studies. To address this bottleneck, this paper presents a High-Performance Computing (HPC) based simulation frame work for faster-than-real-time reliability-oriented simulation. The proposed framework integrates the Average-to-Switching (A2S) method with parallel computing techniques to accelerate switching-level waveform reconstruction. We further introduce optimization strategies, including cluster merging and sensitivity based mission profile screening, to reduce the computational burden. Evaluated using real-world mission profile inputs and a MATLAB/Simulink switching-model reference, the framework reduces the simulation time for a one-year mission from an intractable multi-year duration to approximately 7.3 minutes while maintaining low waveform error. This acceleration provides a practical reliability-oriented simulation engine that can be coupled with component-specific aging models for subsequent PV inverter PoF assessment.

High-performance Computing↗

Once-Through Steam Generator Model Analysis Using Python and Advanced Optimization Tools (Summer Internship Report)

This study focuses on the parametric analysis of design parameters for a once-through steam generator (OTSG) model, using python and advanced optimization tools to facilitate applications such as the flowing autoclave steam generator (FASG) test cases. Building on previous research involving another OTSG with a different design, this project aims to enhance our understanding of how steam generators (SGs) behave and how their outputs are influenced by changes in design. The reason for this design change is to allow for more precise modeling and optimization of SG performance, to provide a comparative analysis between the two designs, and to set up the model for integration with the FASG test case. The OTSG python-model is a mathematical representation (including fluid flow and heat transfer equations/models/correlations) of a steam-generating unit in a pressurized water reactor-type small modular reactor system. Design studies involve changing the model’s input design parameters to observe the resulting effects on the output of the system. By using advanced optimization tools, such as the Risk Analysis Virtual Environment (RAVEN) developed at Idaho National Laboratory, detailed design parametric studies and model optimization were performed. Six input parameters—pressure, temperature, and mass flow rate for the inlet of the primary-side (hot fluid) and secondary-side (cold fluid), respectively, of the SG—were randomly perturbed via RAVEN’s Monte Carlo Sampler module, using uniform distributions (i.e., ±1%, ±5% and ±10% relative changes) for 600 samples. The analysis provides valuable insights into SG optimization and can be used for sensor placement optimization to effectively monitor and obtain experimental data in other tests.

20 FOSSIL-FUELED POWER PLANTS↗

Advances on CHP District Energy and Microgrids Deployment: Simplified Tool for Rapidly Deploying Feasibility Analytics for the Non-Technical User (Final Technical Report)

Community energy systems have proven to have the potential to improve cost efficiency, resilience, and decarbonize. However, investing in community energy systems such as community microgrids or district energy systems is a complex decision due to the high initial investment and the uncertainties associated with the long development time and lifecycle of the project. Tools that make feasibility assessments accessible to non-technical users like investors, policymakers, and other stakeholders will result in more feasibility analyses completed, more candidate projects identified, and more community energy systems deployed. The pilot tool developed under this award is named Energy Fellow. Energy Fellow allows technical and non-technical users to complete feasibility analyses for district energy systems and community microgrids. This is the first software tool of its kind designed for non-technical users and available at no cost. Its scope was adjusted to a 25x25-mile region within the Houston area in Texas to make its development compatible with the funding available. However, the findings and models developed make this pilot tool easily scalable to the US. The lessons learned during the design, implementation, and testing stages have helped find trade-off solutions to software and hardware challenges related to implementing 3D models in online tools. Green software strategies has been successfully applied to the design and operations of the tool, and the team has researched the aspects of the (non-technical) user experience that will make commercial developments of this tool even more impactful.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Optimization of Membrane-based Carbon Capture using Dimensional Analysis, CFD and Process System Engineering

Carbon capture is a promising option to mitigate CO2 emissions from existing coal-fired power plants, cement and steel industries, and petrochemical complexes. Among the available technologies, membrane-based carbon capture presents the lowest energy consumption, operating costs, and carbon footprint. In addition, membrane processes have important operational flexibil-ity and response times. On the other hand, the major challenges to widespread application of this technology are related to reducing capital costs and improving membrane stability and durability.To upscale the technology into stacked flat sheet configurations, high fidelity computational fluid dynamics (CFD) that describes the separation process accurately are required. High fidelity simulations have been shown to be effective in studying the complex transport phenomena in membrane systems. In addition, obtaining high CO2 recovery percentages and product purity requires a multi-stage membrane process, where the optimal network configuration of the membrane modules must be studied in a systematic way. In order to address the design problem at process scale, we formulate a superstructure for the membrane-based carbon capture, including up to three separation stages. In the formulation of the optimization problem, we include reduced models, based on rigorous CFD simulations of the membrane modules. Numerical results indicate that the optimal design includes three membrane stages, and the capture cost is 45.4 $/t-CO2.

Pedrozo, Hector A.↗

Phase-field predictions of the influence of cooling rates during AM on the Evolution of Microstructures in Nickel-Based Single Crystal Superalloys

Additive manufacturing of single crystals made of Ni-based superalloys offers major cost savings for gas turbine engines with the inclusion of internal cooling channels. However, the lack of understanding of the effect of transient thermal conditions on solidification grain structure during additive manufacturing hinders the potential for process control to maintain the single crystal quality. The use of high-fidelity simulations through high performance computing to predict the evolution of the solidification microstructure will enhance the abilities to tailor the microstructures through process optimization. Phase field simulations are used to determine the effect local thermal conditions and defects on the stability of the solidification morphology, specifically with respect to the onset of columnar-to-equiaxed transition that results in the loss of the single crystal. The results are expected to be instrumental for developing future surrogate models to speed up the integration of design and manufacturing of turbine blades under the harsh in-service conditions.

36 MATERIALS SCIENCE↗

Electrolyte Design for Fast‐Charging Lithium‐Based Batteries

Fast charging is essential for the widespread adoption of lithium (Li)-ion batteries, but it is fundamentally limited by sluggish interfacial kinetics, Li plating, and electrolyte instability at high current densities. Over the past decade, electrolyte engineering has emerged as a key strategy to address these challenges. This review summarizes the development of fast-charging electrolytes over the past ten years and outlines a design framework. Electrolyte formulations are first deconstructed into their main components—solvents, salts, and functional additives—and representative strategies for tuning solvation structure and interphase chemistry are discussed to suppress Li plating and improve interfacial kinetics. The discussion then extends to advanced electrolyte systems, particularly localized high-concentration electrolytes (LHCEs), and their compatibility with different anode chemistries. Advanced characterization techniques are also summarized and categorized based on destructiveness, spatial and temporal resolution, quantitative analysis, and the chemical species or processes probed across multiple length scales. Recent progress in AI-enabled electrolyte discovery and battery management system (BMS) strategies for optimized fast-charging protocols is further highlighted. Finally, perspectives are presented on translating electrolyte innovations from academic research to practical applications, with emphasis on cell format, realistic operating conditions, and manufacturability.

25 ENERGY STORAGE↗

A Novel Framework for Performance Evaluation and Design Optimization of PCM Embedded Heat Exchangers for the Built Environment

This research sheds light on the performance evaluation and design optimization of PCM-HXs for the built environment, addressing several barriers to practical issues to PCM-HX commercialization such as modeling aspects (i.e., modeling expertise and computational / time investment, etc.), manufacturing aspects (i.e., at-scale manufacturing, cost assessments, etc.) and experimental performance assessment (i.e., reliable experimental data, assessment of multiple PCM-working fluid combinations, etc.). We present a novel, comprehensive, and experimentally-validated design optimization framework for PCM-HXs capable of simulating any PCM-HX geometry with reasonable accuracy and significant computational time savings when compared to traditional CFD-based design practices. The framework was validated for a wide range of PCM-HX configurations, including a design optimization for a domestic hot water heater application where TES partially replaces electrical heating input. The resulting PCM-HXs were found to deliver 34-68% of the total daily hot water supply with only 5-10% package volume increase from the water heater, thus within U.S. DOE targets for TES systems. To identify the most promising HXs for PCM applications, first-order geometry and cost analyses were conducted based on off-the-shelf HX products. As part of this work, 9 PCM-HX prototypes were manufactured using additive and conventional manufacturing methods. Detailed economy-of-scale assessments were conducted for the most promising PCM-HXs and were found to have a good outlook for the next 5-10 years. The PCM-HX design optimization framework was validated through comprehensive in-house experimental testing using newly-developed PCM-to-fluid test facilities. In total,10 total in-house component-level experiments were conducted using these prototypes, including 9 with water and 1 with refrigerant (R410A) as the working fluid. It was found that the framework can successfully predict experimental thermal-hydraulic performance within ±10-20% the first time without manual design changes, eliminating the need for time-consuming and expensive prototyping efforts as part of the design process. As part of this work, a publicly-available PCM web tool was released which includes a PCM property database (531 PCMs) and PCM-HX modeling tool to assist the design community on common PCM-HX use-cases, e.g., single/multiple flow path(s) fluid-to-PCM and air-to-fluid-to-PCM configurations (https://ceeeweb.umd.edu/pcmapp/). This work will accelerate the design and time to market for next generation PCM-HXs.

25 ENERGY STORAGE↗

Key insights from US Department of Energy Better Plants workforce development bootcamps (2022–2025)

This study examines the effectiveness of the US Department of Energy’s Better Plants Program Bootcamps, which are designed to enhance participants’ technical skills in improving energy efficiency and optimizing operations in manufacturing facilities. Through the analysis of survey data collected from 529 participants across 9 bootcamps, the research investigates the motivations, benefits, and demographic trends of attendees. The findings reveal that skill acquisition and improvement are primary drivers for participation, with key benefits including hands-on training on diagnostic equipment and software tools, networking opportunities, and access to technical resources. The analysis shows strong participation from sectors characterized by high energy consumption and employment, such as chemical and transportation equipment manufacturing. Over 50% of participants have job titles that include “EHS” or “Energy” showing their key roles in leading energy efficiency and energy management efforts in manufacturing. Furthermore, the analysis highlights the distribution of participants across managerial, engineering, and technical roles, revealing a higher representation of managers and engineers. This observation suggests a need for targeted outreach to engage technicians, equipment operators, maintenance staff, and floor workers to ensure comprehensive workforce development. The post-bootcamp survey showed that the participants highly valued the opportunities for peer learning and idea exchange, and the benefits they gained from them. This research contributes to the advancement of manufacturing education by demonstrating the efficacy of specialized training in addressing critical industry challenges and fostering a more competent and empowered workforce.

Energy efficiency↗

Thermodynamic Profiling Through ASSIST Observations and TROPoe Retrievals

This report reviews the most relevant theoretical aspects of thermodynamic profiling techniques based on spectral observations from ASSIST-II infrared radiometers and TROPoe retrievals. The ASSIST+TROPoe system is a cutting-edge remote sensing technology deployed during the AWAKEN and WFIP3 field campaigns to estimate high-frequency profiles of temperature and humidity in the atmosphere. These profiles are highly valuable for characterizing atmospheric stratification, improving wind models, and understanding the impacts of wind plants on the climate. In this document, we discuss the operating principles of ASSIST, the physics of atmospheric infrared radiation, and the mathematical framework and capabilities of TROPoe. Sources of uncertainties in both the instrument and the retrieval method are also thoroughly addressed. This guide is designed to help users of ASSIST, TROPoe, and thermodynamic data in collecting, estimating, and applying thermodynamic profiles rigorously and scientifically.

17 WIND ENERGY↗

CFD and systems engineering to minimize membrane-based carbon capture costs

In this study, we propose a superstructure for membrane-based carbon capture, addressing these challenges through the formulation of an optimization problem. The case study considers a flue gas with a flowrate of 1000 mol/s and a 30 % CO2 (molar basis), which is representative of steel plants. Reduced models, derived from rigorous CFD simulations of membrane modules, are utilized to enhance the efficiency of the optimization process. The reduced model includes specific input variables such as inlet flow rate, retentate and permeate pressures, and inlet CO2 concentration; while the CO2 recovery and purity in the permeate side are considered as output variables. In this way, we exploit the information from the CFD simulations in the superstructure, aiding in the selection of the optimal configuration for the multi-stage membrane process. The results underscore the efficiency of a multi-stage membrane design, showing capture costs around 45 $/t-CO2.

Pedrozo, Hector A.↗

Deep Learning–Assisted Multiobjective Optimization of Geological CO 2 Storage Performance under Geomechanical Risks

In geological CO 2 storage, designing the optimal well control strategy for CO 2 injection to maximize CO 2 storage while minimizing the associated geomechanical risks is not trivial. This challenge arises due to pressure buildup, CO 2 plume migration, the highly nonlinear nature of geomechanical responses to rock-fluid interaction, and the high computational cost associated with coupled flow and geomechanics simulations. In this paper, we introduce a novel optimization framework to address these challenges. The optimization problem is formulated as follows: maximize total CO 2 storage while minimizing geomechanical risks by adjusting the injection schedules within bounded constraints. The geomechanical risks are primarily driven by injection-induced pressure build-up, which is characterized by ground displacement and the induced microseismicity. We used the Fourier neural operator (FNO)-based deep learning model to construct surrogate models, replacing the time-consuming coupled flow and geomechanics simulations for evaluating the aforementioned objective functions. The developed surrogate models have been incorporated into a multiobjective optimization framework through a genetic algorithm to reduce the computational burden. The proposed optimization framework reduces the computational cost from approximately 2,400 hours, when using objective function evaluations based on physics-based simulations, to around 20 minutes. A set of Pareto-optimal solutions of the proposed workflow yields nontrivial optimal decisions, reducing the microseismicity potential and the vertical displacement. This Pareto front highlights the optimal trade-offs between CO 2 storage amount, safety, and ground displacement, emphasizing the need for careful optimization and management of injection strategies to achieve a balanced outcome. The novelty of this work is twofold. First, we demonstrate the importance of incorporating the minimization of the geomechanical risks as objective functions into the CO 2 storage optimization workflow to mitigate the potential risk of induced microseismicity and ground displacement. Second, we leverage the FNO-based surrogate models to optimize a real-field CO 2 storage operation.

42 ENGINEERING↗

Xyce™ Parallel Electronic Simulator Users' Guide (V.7.9)

This manual describes the use of the Xyce Parallel Electronic Simulator. Xyce has been designed as a SPICE-compatible, high-performance analog circuit simulator, and has been written to support the simulation needs of the Sandia National Laboratories electrical designers. This development has focused on improving capability over the current state-of-the-art in the following areas: • Capability to solve extremely large circuit problems by supporting large-scale parallel computing platforms (up to thousands of processors). This includes support for most popular parallel and serial computers. • A differential-algebraic-equation (DAE) formulation, which better isolates the device model package from solver algorithms. This allows one to develop new types of analysis without requiring the implementation of analysis-specific device models. • Device models that are specifically tailored to meet Sandia’s needs, including some radiation-aware devices (for Sandia users only). • Object-oriented code design and implementation using modern coding practices. Xyce is a parallel code in the most general sense of the phrase — a message passing parallel implementation — which allows it to run efficiently a wide range of computing platforms. These include serial, shared-memory and distributed-memory parallel platforms. Attention has been paid to the specific nature of circuit-simulation problems to ensure that optimal parallel efficiency is achieved as the number of processors grows.

42 ENGINEERING↗

Optimizing fluvial flood mitigation strategies: A multi-objective approach for cost-effective and socially-aware infrastructure feasibility analysis

Effective levee planning must balance capital cost, risk reduction, and community priorities. These objectives are rarely optimized together. This study presents a feasibility phase, simulationin-the-loop framework that couples terrain-based flood modeling with a socially aware multiobjective optimizer. Flood risk is measured as Expected Annual Exposed Population (EAEP), obtained by integrating exposure over Annual Exceedance Probability (AEP) nodes, mirroring the Hydrologic Engineering Center's Flood Damage Reduction Analysis (HEC-FDA) expected-annual formulation but with people rather than dollars. Exposure per scenario is computed by overlaying binary inundation masks with a population surface at the tract level. Distributional fairness is encoded through a Group Benefit Share (GBS) constraint that requires high-SVI tracts to receive at least a baseline share of annualized benefits. Capital cost is represented by a height-dependent unit-cost model suitable for screening. This study addresses the two-objective problem, minimize cost and expected annual exposure subject to the GBS constraint, using Non-Dominated Sorting Genetic Algorithm II (NSGA-II) and leveraging Pareto front for feasibility phase decision making. Implemented with terrain-based flood modeling, GeoFlood, for rapid scenario evaluation, the framework is demonstrated in Southeast Texas. The results reveal clear trade-offs among cost, risk, and social benefits and identify non-dominated levee height configurations that satisfy the benefit-share floor. The contributions are a scalable decision support method that operationalizes expected annual population-based risk, embeds enforceable benefit-sharing guarantees, and uses lightweight simulation to explore large design spaces before higher fidelity design stages.

Flood mitigation↗

Fourier Analysis and Design of a Shielded 120kW Inductive Wireless System

High-power inductive wireless power transfer (WPT) systems for EVs are designed to meet specifications such as stray field, power level, efficiency, misalignment tolerance, and ground clearance. These metrics are all heavily influenced by the coil geometry. Herein this paper proposes a coil design method based on the Fourier Analysis Method (FAM) which is an analytical method for directly designing coil geometries to meet stray field and power level requirements through an optimization of Fourier basis function coefficients. In this work, two 120 kW WPT proof-of-concept demonstrators with low stray field and high efficiency are built from FAM optimization results to validate the models and show the impact of the FAM design process. Experimental validation of the Gen. 2 demonstrator at 120 kW output power resulted in a measured DC/DC efficiency of 97.2% at alignment with a 125 mm airgap. At the 120 kW test point, the stray fields 80 cm away from the center of the airgap between the coil assemblies were 3.4 µT(rms) on the X-axis and 3.5 µT(rms) on the Y-axis, much lower than the 27 µT(rms) ICNIRP limit.

42 ENGINEERING↗