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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 181 records · Page 10

Discrete modeling of a transformer with ALEGRA

We report progress on a task to model transformers in ALEGRA using the “Transient Magnetics” option. We specifically evaluate limits of the approach resolving individual coil wires. There are practical limits to the number of turns in a coil that can be numerically modeled, but calculated inductance can be scaled to the correct number of turns in a simple way. Our testing essentially confirmed this “turns scaling” hypothesis. We developed a conceptual transformer design, representative of practical designs of interest, and that focused our analysis. That design includes three coils wrapped around a rectangular ferromagnetic core. The secondary and tertiary coils have multiple layers. The tertiary has three layers of 13 turns each; the secondary has five layers of 44 turns; the primary has one layer of 20 turns. We validated the turns scaling of inductance for simple (one-layer) coils in air (no core) by comparison to available independent calculations for simple rectangular coils. These comparisons quantified the errors versus reduced number of turns modeled. For more than 3 turns, the errors are <5%. The magnetic field solver failed to converge (within 5000 iterations) for >10 turns. Including the core introduced some complications. It was necessary to capture the core surfaces in thin grid sheaths to minimize errors in computed magnetic energy. We do not yet have quantitative benchmarks with which to compare, but calculated results are qualitatively reasonable.

42 ENGINEERING↗

Response to “Comment on ‘Modification of Lie's transform perturbation theory for charged particle motion in a magnetic field’” [Phys. Plasmas 30 , 104701 (2023)]

Dr. Brizard's comment on my work is based on a conceived procedure that does not come from my work. The defense of his claim that the modification of the so-called standard Lie's transform theory is unnecessary is also unsupported. This response reveals in detail the inconsistency issues in the so-called standard Lie's transform theory by analyzing both its results and root causes. The problem in the so-called standard Lie's transform theory is beyond the issue to take into account the ordering difference between the guiding center motion and gyromotion. Here, the inconsistent commutation of derivative and limit causes another issue. In addition, the so-called standard Lie's transform formulation leads to an unnecessarily lengthy and tedious derivation process for a one or two page task under the singular (or renormalized) formalism described in my paper.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Analysis of multi-electron, multi-step homogeneous catalysis by rotating disc electrode voltammetry: theory, application, and obstacles

Rotating disc electrode (RDE) voltammetry has been widely adopted for the study of heterogenized molecular electrocatalysts for multi-step fuel-forming reactions but this tool has never been comprehensively applied to their homogeneous analogues. Here, the utility and limitations of RDE techniques for mechanistic and kinetic analysis of homogeneous molecular catalysts that mediate multi-electron, multi-substrate redox transformations are explored. Using the ECEC' reaction mechanism as a case study, two theoretical models are derived based on the Nernst diffusion layer model and the Hale transformation. Current–potential curves generated by these computational strategies are compared under a variety of limiting conditions to identify conditions under which the more minimalist Nernst Diffusion Layer approach can be applied. Based on this theoretical treatment, strategies for extracting kinetic information from the plateau current and the foot of the catalytic wave are derived. RDEV is applied to a cobaloxime hydrogen evolution reaction (HER) catalyst under non-aqueous conditions in order to experimentally validate this theoretical framework and explore the feasibility of RDE as a tool for studying homogeneous catalysts. Importantly, analysis of the foot-of-the-wave via this theoretical framework provides rate constants for elementary reaction steps that agree with those extracted from stationary voltammetric methods, supporting the application of RDE to study homogeneous fuel-forming catalysts. Lastly, obstacles encountered during the kinetic analysis of cobaloxime, along with the voltammetric signatures used to diagnose this reactivity, are discussed with the goal of guiding groups working to improve RDE set-ups and help researchers avoid misinterpretation of RDE data.

08 HYDROGEN↗

Melt-Processed Halide Perovskite Thin Films from a Two-Dimensional Ruddlesden–Popper Phase Precursor

While halide perovskite thin films have enormous potential for photovoltaics and other optoelectronics, the use of environmentally hazardous solvents during their deposition and processing poses a barrier to their commercialization. In this work, we demonstrated the deposition of melt-processable precursors and subsequent transformation into halide perovskite thin films without using environmentally hazardous solvents. We melted the wide-bandgap layered perovskites [(C 6 H 5 CH(CH 3 )CH 2 NH 3 ) 2 PbI 4 :β-Me-PEA 2 PbI 4 ] at ~210 °C and blade coated them into films. The β-Me-PEA 2 PbI 4 films were subsequently transformed to perovskite-phase methylammonium or formamidinium lead iodide films using a cation-exchange process in an alcohol-based solvent. Lastly, we demonstrate the potential and limitations of a completely solvent-free approach that uses solid-state transformation of a β-Me-PEA 2 PbI 4 film. As a result, this work represents a substantial step toward eliminating environmentally hazardous solvents and enables inexpensive industrial-scale liquid-phase deposition processes that do not require expensive systems for handling and disposing of environmentally hazardous solvents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Powder‐to‐Film Conversion of Nickel Single‐Atom Catalysts into Binder‐Free and Resistant Electrodes

Although a few binder-free and self-supported single-atom electrodes have been reported, achieving mechanically robust, defect-engineered, and reproducible films that preserve atomic dispersion under electrochemical operation remains challenging. This work addresses this limitation by presenting a versatile and generalizable strategy to transform powders into standalone, defect-engineered thin films hosting atomically dispersed Ni centers within conductive 2D frameworks. The physicochemical and electronic properties of these materials are thoroughly characterized using a comprehensive set of spectroscopic and microscopic techniques and confirmed the homogeneous dispersion and monoatomic nature of the Ni centers (0.94 wt.%) on the electrode films. Electrochemical testing via cyclic voltammetry and electrochemical impedance spectroscopy under a range of experimental conditions revealed that integration of Ni single atoms markedly enhanced performance and stability compared to carbon nanotube-only electrodes, maintaining integrity after 15 h of continuous operation. This improvement is accompanied by a notable reduction in charge transfer resistance (30.50 Ω) and an increase in double-layer capacitance (295.45 µF). Post-electrochemical analyses corroborated the structural integrity and robustness of the electrodes. Overall, this work bridges atomically precise catalysis and device-level electrochemistry, opening a route toward reproducible and scalable single-atom electrodes for sensing and energy conversion.

36 MATERIALS SCIENCE↗

Use of Fluorescent Protein Reporters for Assessing and Detecting Genome Editing Reagents and Transgene Expression in Plants

Fluorescent protein reporters have been widely used for monitoring the expression of target genes in various engineered organisms. Although a wide range of analytical approaches (e.g., genotyping PCR, digital PCR, DNA sequencing) have been utilized to detect and identify genome editing reagents and transgene expression in genetically modified plants, these methods are usually limited to use in the late stages of plant transformation and can only be used invasively. Here we describe GFP- and eYGFPuv-based strategies and methods for assessing and detecting genome editing reagents and transgene expression in plants, including protoplast transformation, leaf infiltration, and stable transformation. These methods and strategies enable easy, noninvasive screening of genome editing and transgenic events in plants.

Yuan, Guoliang↗

Decoupling the effects of texture and composition on magnetic properties of Fe-Si sheet processed by shear deformation

Soft magnetic Fe-Si alloys (electrical steels) possess exceptional functional properties such as high permeability, low coercivity, and low core loss, which generally improve with increasing Si content in the alloy. However, Fe-Si alloys containing > 3.5 wt% Si are also characterized by prohibitively low workability and poor ductility that have prevented their efficient commercial production in sheet form by rolling. This has limited their use for improving efficiency of motors and transformers. In this study, hybrid cutting-extrusion (HCE) is used as a single-step thermomechanical processing method to produce continuous Fe-Si alloy sheet with high Si compositions of 4 wt% to 6.5 wt%. HCE sheet is shown to have a homogeneous annealed grain structure and simple-shear crystallographic textures. By controlling the HCE deformation path, varied crystallographic shear textures are created in the sheet. Quasi-static magnetic properties of the HCE sheet are evaluated to decouple the effects of sheet texture and Si composition on resultant permeability and coercivity properties. The results suggest that HCE, with suitable process scaling, is a viable route for production of high-Si content electrical steel sheet for next-generation motors and transformers.

36 MATERIALS SCIENCE↗

Throughput Optimization of Molybdenum Carbide Nanoparticle Catalysts in a Continuous Flow Reactor Using Design of Experiments

Transition metal carbides (TMCs) have attracted significant attention because of their applications toward a wide range of catalytic transformations. However, the practicality of their synthesis is still limited because of the harsh conditions in which most TMCs are prepared. Recently, a solution-phase synthesis of phase-pure a-MoC1-x nanoparticles was presented. While this synthetic route yielded nanoparticles with exceptional catalytic performance, the reaction parameter space was not explored, and catalyst throughput was not optimized for scale-up. Continuous flow platforms coupled with statistical design of experiments (DoE) can provide a powerful method for understanding the reaction parameter space for optimizations. Here, we demonstrate the use of statistical DoE in tandem with response surface methodology for a parametric screening analysis to optimize the throughput of a MoC1-x nanoparticle synthesis utilizing a millifluidic flow reactor. A full factorial design was implemented to evaluate four input variables (reaction temperature, flow rate, solvent fraction of oleylamine, and precursor concentration) that carry statistically significant effects on three responses (throughput, residence time, and isolated yield). A Doehlert matrix was implemented to investigate each significant variable at a higher number of levels to optimize throughput. Our results give a nonintuitive set of experimental conditions that resulted in an optimized throughput of 2.2 g h-1. This translates to a 50-fold increase in throughput compared to the previously reported batch method. The catalytic performance of the MoC1-x nanoparticles produced under optimized throughput was demonstrated in the CO2 hydrogenation reaction. This DoE screening analysis and throughput optimization of MoC1-x synthesis open the door to an increased feasibility for scale-up.

design of experiments↗

Kelvin probe force microscopy under ambient conditions

Kelvin probe force microscopy (KPFM) is a technique derived from atomic force microscopy that provides maps of surface potential or work function differences across material systems, with nanometre-scale resolution. KPFM is a useful tool for investigating electrical phenomena such as dipole orientation, interfacial charge transfer, charge accumulation, band bending and doping levels. This Primer aims to provide an overview of typical ambient-condition KPFM measurements, covering their underlying principles, experimental implementations and wide-ranging applications. Key KPFM variants, including amplitude and frequency modulation, heterodyne detection schemes and innovative open loop and pulsed force techniques, are discussed, with practical guidance on optimizing signal acquisition and reducing errors. Specialized approaches, such as time-resolved KPFM and multimodal KPFM, are discussed for their ability to capture dynamic charge processes and chemical information, respectively. Here, we highlight recent advances in KPFM applications, spanning metal alloys, soft matter, ferroelectrics, photovoltaics and 2D materials, showcasing its versatility across research domains. By addressing current limitations and identifying future opportunities, this Primer underscores the transformative potential of KPFM in advancing the understanding of nanoscale electrical phenomena.

Zahmatkeshsaredorahi, Amirhossein [Lehigh Univ., B↗

A Digital Twin of Scalable Quantum Clouds

Quantum computing has emerged as a transformative technology capable of solving complex problems beyond the limit of classical systems. The rapid development of quantum processors has led to the proliferation of cloud-based quantum computing services offered by platforms such as IBM, Google, and Amazon. These platforms introduce unique challenges in resource allocation, job scheduling, and multi-device orchestration as quantum workloads become increasingly complex. In this work, we present a digital twin of quantum cloud infrastructures: a framework designed to model and simulate the behavior of real quantum cloud systems. Developed in Python using the SimPy discrete-event simulation library, the framework replicates key aspects of quantum cloud environments, including detailed quantum device modeling, job lifecycle management, and job fidelity. It incorporates noise-aware fidelity estimation, making it the first of its kind to simulate superconducting gate-based quantum cloud systems at an administrative level with job fidelity. We present use cases as proof of concept, demonstrating that our quantum cloud simulation framework can act as a digital twin of a quantum cloud and support the modeling and implementation of practical systems.

Luo, Waylon [Kent State University]↗

ESAC v1: Enhanced AI-Powered Chatbot for EQ-SANS Experiment Automation Improvements and Updates

ESAC (EQ-SANS Assisting Chatbot) is an advanced AI-powered application designed to streamline the workflow of neutron scattering experiments at the Spallation Neutron Source (SNS). This report documents the significant advancements in ESAC v1, which include the integration of a combined In-Context Learning (ICL) + Retrieval-Augmented Generation (RAG) capability, a robust integrated development environment, and standalone executable distribution. These enhancements address the limitations of the original version, making ESAC v1 a transformative tool for researchers. The report also discusses the technical challenges encountered during development and their resolution, highlighting the impact of these improvements on the neutron scattering research community.

36 MATERIALS SCIENCE↗

eYGFPuv-Assisted Transgenic Selection in Populus deltoides WV94 and Multiplex Genome Editing in Protoplasts of P. trichocarpa × P. deltoides Clone ‘52-225’

Although CRISPR/Cas-based genome editing has been widely used for plant genetic engineering, its application in the genetic improvement of trees has been limited, partly because of challenges in Agrobacterium-mediated transformation. As an important model for poplar genomics and biotechnology research, eastern cottonwood (Populus deltoides) clone WV94 can be transformed by A. tumefaciens, but several challenges remain unresolved, including the relatively low transformation efficiency and the relatively high rate of false positives from antibiotic-based selection of transgenic events. Moreover, the efficacy of CRISPR-Cas system has not been explored in P. deltoides yet. Here, we first optimized the protocol for Agrobacterium-mediated stable transformation in P. deltoides WV94 and applied a UV-visible reporter called eYGFPuv in transformation. Our results showed that the transgenic events in the early stage of transformation could be easily recognized and counted in a non-invasive manner to narrow down the number of regenerated shoots for further molecular characterization (at the DNA or mRNA level) using PCR. We found that approximately 8.7% of explants regenerated transgenic shoots with green fluorescence within two months. Next, we examined the efficacy of multiplex CRISPR-based genome editing in the protoplasts derived from P. deltoides WV94 and hybrid poplar clone ‘52-225’ (P. trichocarpa × P. deltoides clone ‘52-225’). The two constructs expressing the Trex2-Cas9 system resulted in mutation efficiency ranging from 31% to 57% in hybrid poplar clone 52-225, but no editing events were observed in P. deltoides WV94 transient assay. The eYGFPuv-assisted plant transformation and genome editing approach demonstrated in this study has great potential for accelerating the genome editing-based breeding process in poplar and other non-model plants species and point to the need for additional CRISPR work in P. deltoides.

59 BASIC BIOLOGICAL SCIENCES↗

Organizational Influence on Supply Chain for Digital Energy Infrastructure: Business Models, and Policy Landscape

Significant investment is driving the essential modernization and digitization of U.S. energy infrastructure, but the United States faces a key challenge in this grid transformation: our renewable and clean energy supply chains have limited capacity to source necessary digital assets through U.S. or allied sources. Batteries and their associated power electronic interfaces are key components to delivering clean and more resilient energy delivery, providing much-needed fast ramping, emergency discharge, generation, and operations support to the electric grid. These services have grown to be invaluable over the past 10 years and will soon be an irreplaceable component of energy delivery. While there have been significant strides to move supply chains for raw and critical materials to U.S. and allied nations, the control and power electronic industry has lagged, in part because of lower cost margins. For example, the United States now has growing capacity to manufacture solar photovoltaic (PV) panels, but 90% of the inverters—which are essential to the conversion of DC to AC for grid connection and controls—are made in or source parts from the People’s Republic of China (PRC). While a global supply chain is beneficial for many economic and supply diversification reasons, presence of foreign entities of concern (FEOC) in a dominant role in this supply chain brings additional concerns for national security of infrastructure. The BESS relationship and new clean energy have features that warrant discussions and additional focus on impact for technology security, given their critical role. This review considers the impact and solutions for complex business and policy landscapes in clean energy supply chain, and the benefit trade-offs, focusing on the Battery Energy Storage System case study, and its complex organizational relationships across both the US, Allied countries and Foreign Entities of Concern. While many examples in this paper are presented on PRC focused manufacture, this could apply to any potentially adversarial relationship

25 - ENERGY STORAGE↗

Variational Adiabatic Gauge Transformation on Real Quantum Hardware for Effective Low-Energy Hamiltonians and Accurate Diagonalization

Effective low-energy theories represent powerful theoretical tools to reduce the complexity in modeling interacting quantum many-particle systems. However, common theoretical methods rely on perturbation theory, which limits their applicability to weak interactions. Here we introduce the Variational Adiabatic Gauge Transformation (VAGT), a nonperturbative hybrid quantum algorithm that can use nowadays quantum computers to learn the variational parameters of the unitary circuit that brings the Hamiltonian to either its block-diagonal or full-diagonal form. If a Hamiltonian can be diagonalized via a shallow quantum circuit, then VAGT can learn the optimal parameters using a polynomial number of runs. The accuracy of VAGT is tested through numerical simulations, as well as simulations on Rigetti and IonQ quantum computers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Feasibility of peak temperature targets in light of institutional constraints

Despite faster-than-expected progress in clean energy technology deployment, global annual CO 2 emissions have increased from 2020 to 2023. The feasibility of limiting warming to 1.5 °C is therefore questioned. Here we present a model intercomparison study that accounts for emissions trends until 2023 and compares cost-effective scenarios to alternative scenarios with institutional, geophysical and technological feasibility constraints and enablers informed by previous literature. Our results show that the most ambitious mitigation trajectories with updated climate information still manage to limit peak warming to below 1.6 °C (‘low overshoot’) with around 50% likelihood. However, feasibility constraints, especially in the institutional dimension, decrease this maximum likelihood considerably to 5–45%. Accelerated energy demand transformation can reduce costs for staying below 2 °C but have only a limited impact on further increasing the likelihood of limiting warming to 1.6 °C. Our study helps to establish a new benchmark of mitigation scenarios that goes beyond the dominant cost-effective scenario design.

54 ENVIRONMENTAL SCIENCES↗

Tuning martensitic transformations via coherent second phases in nanolaminates using free energy landscape engineering

In this work we explore the possibilities and limitations of using a coherent second phase to engineer the thermo-mechanical properties of a martensitic alloy by modifying the underlying free energy landscape that controls the transformation. We use molecular dynamics simulations of a model atomistic system where the properties of a coherent, nanoscale second phase can be varied systematically. With a base martensitic material that undergoes a temperature-induced transformation from a cubic austenite to a monoclinic martensite, simulations show significant ability to engineer the transformation temperatures, from a ~50% reduction to a ~200% increase, with 50 at.% of the cubic second phase. We establish correlations between the properties of the second phase, the transformation characteristics, and the microstructure via the free energy landscape of the twophase systems. Coherency stresses have a strong influence on the martensitic variants observed and can even cause the non-martensitic second phase to undergo a transformation. Reducing the stiffness of the second phase increases the transformation strain and modifies the martensitic microstructure, increasing the volume fraction of the transformed material. This increase in transformation strain is accompanied by a significant increase in Af and thermal hysteresis, while Ms remains unaltered. Our findings on the tunability of martensitic transformations can be used for informed searches of second phases to achieve desired material properties, such as achieving room temperature, lightweight shape memory alloys.

36 MATERIALS SCIENCE↗

Effects of Minor Alloying Elements and Impurities on Long-Range Ordering in Ni-Cr-Based Alloys

There is growing concern about long-range ordered Ni2Cr phase forming during thermal aging of Ni-Cr-based alloys (e.g., 690, 625), which leads to lattice contraction, hardening, and embrittlement, possibly limiting the service life of light water reactor components. The timespan when this phase transformation occurs can vary in orders of magnitude between model and commercial alloys and is likely related to the presence of major (e.g., Fe, Mo) and minor alloying elements (e.g., Ti, Si, Nb). These minor alloying elements have been hypothesized to bind with vacancies and therefore limit diffusion. Contrarily, impurities (e.g., P, S) are believed to enhance vacancy diffusion and accelerate the Ni2Cr phase transformation because of a vacancy drag mechanism. This study implements experimental isothermal aging of model Ni-Cr binary and Ni-Cr-X ternary alloys, where X is Ti, Si, Nb, and P to help understand how each minor alloying element affects the Ni2Cr phase transformation timeline. Synchrotron-based X-ray diffraction and hardness measurements are used to quantify the evolution of the Ni2Cr phase transformation through a variety of short aging times to identify the onset of long-range order. These experimental results are compared to first principles simulations from literature to understand the mechanism by which each element impacts vacancy diffusion and the formation of the long-range ordered phase, Ni2Cr.

36 - MATERIALS SCIENCE↗

Blackstart of Power Grids with Inverter-Based Resources

This paper presents the findings of our investigation into inverter-based resource-(IBR-) driven blackstart of electric grids. Four potential black-start configurations with different setups are presented. To evaluate the technical feasibility of IBR-driven black start in the four configurations, a behavioral model of inverters that mimics current-limited inverter operation is developed using variable resistors in the MATLAB Simulink/Simscape environment. The inverter model is connected to an induction motor through transformers and a transmission line to simulate its startup. Simulation results show that even with the limited current supply capability of inverters because of their physical constraints, IBRs can black-start a motor under certain conditions. Results also show that by using soft-start techniques, such as ramped supply voltage, inrush currents can be reduced, thereby expanding the conditions under which IBRs can provide black-start support. Simulation results with different scenarios lead to discussions and key takeaways that could be valuable for further IBR-driven black-start research.

41 EE - Solar Energy Technologies Office (EE-4S)↗