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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 37 records · Page 2

Pressure Gain, Stability, and Operability of Methane/Syngas Based RDEs Under Steady and Transient Conditions (Final Project Report)

The scope of this work addresses key issues associated with losses associated with the detonation wave and other processes internal to the RDE operation, as well as it develops modeling tools for the evaluation of these losses and exhaust emissions in RDEs. The main challenge in studying RDEs is that RDE performance is highly reliant on the specifics of the design so much so that simple/canonical systems alone cannot provide useful engineering information, but practical RDE designs are sufficiently complex and involve extreme operational environments that detailed access either experimentally (laser diagnostics, for instance) or computationally (direct numerical simulations) are as yet to become practical. To overcome this challenge, we have conducted a combined experimental/simulation/analytical study investigating key phenomena that control the characteristics of operation of RDEs. As a result, the study has developed tools and methods that can be used to evaluate performance and design approaches using reduced-physics models, with the assumptions validated using detailed simulations, and the model prediction tested using experimental observations. The specific objectives of the research were: (1) Develop and demonstrate a low-loss fully axial injection concept, taking advantage of stratification effects to alter the detonation structure and position the wave favorably within the combustor; (2) Obtain stability and operability characteristics of an RDE across operating conditions to aid in the development of operability and performance rules for the operations of other systems; and (3) Develop quantitative metrics for performance gain as well as quantitative description of the loss mechanisms through a combination of diagnostics development, reduced-order modeling, and detailed simulations. The work conducted here has made contribution on design of low-loss inlets that has broad application within the power generation industry for use with pressure gain combustion. The operability and stability of different designs, while focusing on axial air inlet designs, has been analyzed. The effect of nozzle and injection conditions was studied. Models and simulations of exhaust emissions, focusing on NOx emission has been developed and used to investigate how operation of the RDE affect NOx production using Lagrangian analysis of RDE simulations. This work has built on previous programs, with the goal of further understanding operation of RDEs and elevate the readiness of design consideration. In addition, a suite of diagnostic and modeling tools have been developed to obtain quantitative metrics on performance based on measurements, which can be readily transferred to other experimental configurations.

08 HYDROGEN↗

Revealing Parallel Inter‐ and Intra‐Ligand Charge Transfer Dynamics in [Ru(L) 2 (dppz)] 2+ Molecular Lightswitch with N K‐Edge X‐Ray Absorption Spectroscopy

In photoactive metal complexes the localization of photoexcited charges dictates the site of chemical reactivity, but few studies measure the charge redistribution in these systems with spatial precision. Herein, we track the inter- and intra-ligand charge transfer processes that underpin light-driven charge separation in the well-studied “molecular lightswitch” [Ru(bpy) 2 dppz] 2+ (aqueous [Ruthenium II (2,2′-bipyridine)2(dipyrido[3,2-a:2′,3′-c]phenazine)] 2+ [Cl − ] 2 ) by probing the electronic structure of ligand nitrogen atoms in real-time using ultrafast X-ray absorption spectroscopy and first principles calculations. We confirm the localization of excited electron density on the phenazine N atoms of dppz and we newly identify two parallel electron transfer pathways to populate this state. Sub-70 fs electron transfer to the phenazine portion of dppz is observed and attributed to intra-ligand electron transfer following Ru-to-dppz metal-to-ligand charge transfer (MLCT) excitation. This fast charge transfer was not reported in prior ultrafast studies. The slower (ca. 2 ps) charge transfer reported extensively in time-resolved optical absorption and emission studies is reassigned here to inter-ligand electron “hopping” between nearly isoenergetic ligand moieties following Ru-to-bpy MLCT excitation. In conclusion, the results demonstrate much faster charge separation than previously identified in this well-studied system, highlighting how extended azaacene ligand motifs promote the competitive charge transfer processes needed to drive light-driven electron transfer chemistry.

Donor-acceptor systems↗

A future of inertial confinement fusion without laser-plasma instabilities

From the beginning of inertial confinement fusion (ICF) research, laser-plasma instabilities excited by narrowband lasers have limited the hydrodynamic design space of all laser-based approaches to inertial fusion energy (IFE). With advances in broadband laser technologies, the next generation of ICF drivers will likely have large bandwidth that is engineered to mitigate laser-plasma instabilities, thereby expanding the hydrodynamic design space to include both robust high yields (>200−MJ) with large-energy laser systems (>4 MJ) and high gains (>10) with moderate-energy laser facilities (<2 MJ). State-of-the-art simulations indicate that laser bandwidths of a few percent are required to mitigate instabilities for IFE-relevant conditions. To test these models and demonstrate that high-bandwidth lasers mitigate laser-plasma instabilities, the Fourth-generation Laser for Ultrabroadband eXperiments will be used with the OMEGA Laser System. The goal is to provide the community with the confidence to invest in a multiple-beam high-bandwidth laser facility that will demonstrate the necessary ablation pressures for robust direct-drive ignition without detrimental levels of hot electrons that degrade the implosion performance. It is important to recognize that the highest performing ICF implosions will likely never be completely LPI free because of the significant advantages to maximizing the laser intensity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Floquet–Bloch manipulation of the Dirac gap in a topological antiferromagnet

Floquet–Bloch manipulation, achieved by driving a material periodically with a laser pulse, is a method that enables the engineering of electronic and magnetic phases in solids by effectively modifying the structure of their electronic bands. However, the application of Floquet–Bloch manipulation in topological magnetic systems, particularly those with inherent disorder, remains largely unexplored. Here, in this study, we realize Floquet–Bloch manipulation of the Dirac surface-state mass of the topological antiferromagnet MnBi 2 Te 4 . Using time- and angle-resolved photoemission spectroscopy, we show that opposite helicities of mid-infrared circularly polarized light result in substantially different Dirac mass gaps in the antiferromagnetic phase, despite the equilibrium Dirac cone being massless. We explain our findings in terms of a Dirac fermion with a random mass. Our results underscore Floquet–Bloch manipulation as a powerful tool for controlling topology, even in the presence of disorder, and for uncovering properties of materials that may elude conventional probes.

42 ENGINEERING↗

High-emissivity, thermally robust emitters for high power density thermophotovoltaics

Thermal radiative energy transport is essential for high-temperature energy harvesting technologies, including thermophotovoltaics (TPVs) and grid-scale thermal energy storage. However, the inherently low emissivity of conventional high-temperature materials constrains radiative energy transfer, thereby limiting system performance and technoeconomic viability. Here, in this study, we demonstrate ultrafast femtosecond laser-material interactions to transform diverse materials into near-blackbody surfaces with broadband spectral emissivity above 0.96. This enhancement arises from hierarchically engineered light-trapping microstructures enriched with nanoscale features, effectively decoupling surface optical properties from bulk thermomechanical properties. These laser-blackened surfaces (LaBS) exhibit exceptional thermal stability, retaining high emissivity for over 100 h at temperatures exceeding 1,000°C, even in oxidizing environments. When applied as TPV thermal emitters, Ta LaBS double electrical power output from 2.19 to 4.10 W cm −2 at 2,200°C while sustaining TPV conversion efficiencies above 30%. This versatile, largely material-independent technique offers a scalable and economically viable pathway to enhance emissivity for advanced thermal energy applications.

laser-blackened surfaces↗

Mechanical Engineering Safety Note 1012910313-AA: CEA LTIC Structural Integrity

The LRU Target Insert Cryostat (LTIC) is the end effector of the NIF Cryogenic Target Positioner (CryoTarpos), which houses a cooling system to support cryogenic target experiments at NIF. The LTIC maintains a target at micron level positional stability and millikelvin level temperature stability during a NIF shot and is also subject to a portion of the blast load governed by the solid angle subtended by the blast shield at the front of the system. This MESN evaluates loading of the CEA LTIC, a redesigned LTIC to be fielded at Laser Megajoule (LMJ) in France, which has been designed to lay out requirements agreed upon between LLNL and CEA personnel. The LMJ version of CryoTarpos is referred to as the PCC. A high-level system overview of the LTIC on the PCC is shown.

42 ENGINEERING↗

Local Thermal Conductivity Patterning in Rotating Lattice Crystals of Anisotropic Sb 2 S 3

The ability to control material heat transport properties over space and time can drive advanced functionalities in thermal management for electronics and system-on-chip, and enable thermal circuits. Despite the technological relevance, there are limited demonstrations of local thermal property control. Rotating lattice single (RLS) crystals—formed via laser-induced crystallization of an amorphous substrate—offer a novel avenue for local crystal engineering, unlocking opportunities for microscale property patterning. Here, thermal conductivity (𝜅) imaging is applied to RLS crystals of Sb2S3 to resolve microscale 𝜅 variations across patterned regions. Amorphous areas exhibit 𝜅 as low as 0.6 Wm −1 K −1 , while crystalline regions display periodic 𝜅 variations from 0.7 to over 2.5 Wm −1 K −1 . These variations correspond to changes in crystal orientation, revealing marked 𝜅 anisotropy. The crystal out-of-plane direction (c axis)—featuring van der Waals bonds—shows amorphous-like transport, whereas in-plane directions (a, b axes) exhibit 3.5x and 1.7x larger 𝜅, respectively. First-principles calculations, in excellent agreement with experiments, suggest that the in-plane anisotropy originates from expressed Sb lone pairs, which impart a corrugation along the b axis affecting bond stiffness and 𝜅. These findings demonstrate microscale control of thermal properties via laser-processed metastructures, with significant implications for next-generation thermal management.

14 SOLAR ENERGY↗

Ultrafast x-ray scattering of photodissociation dynamics in 2-iodothiophene

Here, a time-resolved x-ray scattering (TRXS) investigation of the photodissociation dynamics of gas-phase 2-iodothiophene molecules following 252 nm excitation is presented. Structural evolution of the molecule and dynamical information on the resulting photofragments were captured using femtosecond x-ray free-electron laser pulses. Two dissociation pathways were identified, arising via excitation to ππ* and (n/π)σ* states, respectively, yielding distinct interfragment recoil velocities of ∼6.4 Åps −1 and 17.0 Åps −1 . A comparison of asymptotic scattering data with simulated patterns indicates that the thiophene ring remains closed following dissociation at this wavelength. Modeling the experimental data yields a branching ratio of ∼3:1 in favor of the high velocity channel. These findings demonstrate the capability of TRXS to disentangle concurrent ultrafast reaction pathways and provide detailed structural insight into energy redistribution during photoinduced bond fission in complex molecular systems.

Razmus, Weronika O. [Univ. of Southampton (United ↗

Ultrafast renormalization of the magnetic continuum in the proximal Kitaev quantum spin liquid H 3 LiIr 2 O 6 by tr-RIXS [Invited]

We present the first circularly polarized non-resonant pump time-resolved resonant inelastic X-ray scattering (tr-RIXS) experiment in H 3 LiIr 2 O 6 , an iridium-based Kitaev system. Our calculations and experimental results are consistent with the modification of the low-energy magnetic excitations in H 3 LiIr 2 O 6 only during illumination by the laser pulse. We discuss these results in a cooperative framework between the Floquet engineering of the exchange interactions and the dynamic renormalization of electron-electron correlations. However, the penetration length mismatch between the X-ray probe and laser pump and the intrinsic complexity of Kitaev magnets prevents us from unequivocally extracting towards which ground state H 3 LiIr 2 O 6 is driven. We outline possible solutions to these challenges for light-driven stabilization and observation of the Kitaev quantum spin liquid limit by RIXS.

Kim, Jungho [Argonne National Laboratory (ANL), Ar↗

Multidimensional Modeling of Mixture Formation in a Hydrogen-Fueled Heavy-Duty Optical Engine With Direct Injection

Hydrogen (H 2 ), as a carbon-free fuel, is considered as one of the most promising solutions to reduce the carbon footprint of hard-to-decarbonize energy and transportation sectors. As such, hydrogen-fueled internal combustion engines (H 2 ICEs) have recently been receiving increasing attention, particularly in applications such as on-road/off-road heavy-duty transport and combined heat and power. The direct injection (DI) of gaseous hydrogen into the combustion chamber offers great potential for achieving high power density and high engine efficiency, while mitigating the risk of backfire and reducing pre-ignition. However, the numerical simulation of H 2 DI system remains a formidable challenge associated with the high computational cost of reproducing compressible supersonic flow and shocks in narrow injector passages and in near-nozzle regions. In general, there is a lack of well-established and validated practices for the modeling of high-pressure H 2 DI in large-bore engines. Here, to this end, this study focuses on computational fluid dynamics (CFD) modeling of the mixture formation process in a heavy-duty optical engine employing a medium-pressure H 2 DI system. Both large eddy simulations (LES) and Reynolds Averaged Navier–Stokes (RANS) simulations are performed and evaluated against optical data. Gaseous hydrogen is injected into the combustion chamber via a centrally located outward opening hollow-cone injector at a pressure of 40 bar. Simulations are carried out for two injection timings, namely, −120 and −60 °CA. The numerical predictions for H 2 distribution in different horizontal and vertical planes during the compression stroke are systematically compared against optical data obtained through planar laser-induced fluorescence (PLIF) measurements. Overall, the LES approach using the Dynamic Structure model is found to have good predictive capabilities for the early jet penetration in terms of length and shape, as well as the later H 2 distributions. However, the unsteady RANS approach with the renormalization group $k - ϵ$ model, which is widely used by industry to model heavy-duty ICEs, significantly underpredicts the H 2 mixing, even at similar mesh resolution to that used in LES. These results indicate that there is a need for the improvement of mixing submodels within the RANS approach when applied to H 2 DI simulations.

LES↗

Understanding the limitations and potential of micro tensile testing of tungsten and needs for crystal plasticity modelling

Tungsten is the leading plasma facing material candidate due to its exceptional properties. Understanding the response to neutron irradiation is crucial for the lifetime evaluation of tungsten. The limited space in nuclear reactors and the high levels of radioactivity of the specimens after irradiation are significant barriers to accurately measuring the mechanical properties after neutron irradiation. Testing of micro tensile specimens is one approach to reduce the total amount of irradiated material needed for a set of mechanical testing experiments. However, micro samples are not necessarily measuring the bulk material properties, as size effects produce higher measured mechanical properties than is observed in engineering size counterparts. Determining the minimal sample size for reliable bulk property measurement, combined with modeling efforts, is essential. We conducted room temperature tensile tests on tungsten micro tensile specimens fabricated with focused ion beam, plasma focused ion beam and femto-second laser ablation system to dimension of 2×2×7?µm³, 7×7×18?µm³, and 80×100×233?µm³ (width×thickness×gauge-length), respectively. Elevated tensile testing was performed up to 475°C on 5×5×18?µm³ specimens fabricated with focused ion beam. The smallest specimens exhibited a high degree of ductility and strength, whereas the largest specimens demonstrated behavior akin to bulk tungsten. To investigate the effects introduced by the micro specimen fabrication processes and to obtain the necessary bulk dislocation density for the crystal plasticity model, we employed X-ray diffraction depth profiling. This measurement was performed using different X-ray sources with varying penetration depths. Finally, the potential and limitations of micro mechanical tests for tungsten will be discussed.

36 - MATERIALS SCIENCE↗

Analysis of Off-Gas Streams from Small- and Large-Scale Sparging Salt Vessels using Laser-Induced Breakdown Spectroscopy

Laser-induced breakdown spectroscopy (LIBS) is being developed as an analytical monitoring tool for molten salt reactor (MSR) systems. A mobile LIBS platform was configured on a small-scale salt vessel (~100 g of salt) and then transported 0.6 km to successfully monitor an engineering-scale pumped salt loop (~100 kg of salt). Several studies on monitoring salt aerosols, hydrogen isotopes, and noble gases were performed on the small-scale system. All these studies were then implemented for monitoring various tests on the engineering-scale loop. Aerosolized salts from both the storage tank and pump bowl were monitored using LIBS to assess bulk salt analyte ratios (Mg, Na, K) and evaluate impurities (H, O, Ca). In addition to monitoring salt aerosols, LIBS was used in tandem with a residual gas analyzer (RGA) and a Raman spectroscopy system to detect hydrogen isotopes as they were sparged through and subsequently depleted from the loop storage tank. Lastly, a similar test with noble gases (100 ppm Kr, 1000 ppm Xe) was performed, in which LIBS demonstrated a faster response than the RGA used in-line. The tests and results are summarized in this report with detailed publications to follow. Key takeaways are listed in the conclusion of the report.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A Coupled Theoretical and Experimental Approach to Elucidating the Mechanisms of Methyl Esters

The goal of this project was to probe fundamental kinetics questions regarding the gas phase reactive behavior of oxygenates. In order to succeed, our program necessitated both the development of new experimental tools and the development of theory based kinetic models to explain the chemistry of oxygenate fuels. By using advanced hybrid additive manufacturing/ traditional manufacturing techniques to create specialized ceramic micro-reactors, the team was able to simulate extreme high-temperature environments with much greater precision and durability than was previously possible. These tiny, high-tech tubes allow researchers to capture and identify "fleeting" chemical species—molecules that exist for only a fraction of a millisecond—using sophisticated light sources and mass spectrometry. Additionally, the team supported the development of a tabletop VUV laser system for isomer detection without a synchrotron. Through this work, we have successfully mapped out the specific chemical pathways of various oxygen-rich fuels, solving long-standing mysteries about how these substances break down kinetically. Ultimately, this research provides the fundamental knowledge needed to design next-generation engines and fuels that are better for the environment.

09 BIOMASS FUELS↗

Multi-Scale Integrated Monitoring System for Enhancing Methane Emission Detection, Quantification & Prediction

This report details the progress and findings of a comprehensive study on reviewing existing solutions, identifying technology gaps, and formulating an “all-in-one” integrated strategy for developing the next-generation multiscale methane monitoring and modeling platform, conducted under grant number DE-FE0032292. Co-led by Dr. David Ebert, Dr. Binbin Weng, and Dr. Chenghao Wang at the University of Oklahoma, the project’s goal was to develop an integrated approach for building this engineering platform to detect, quantify, and mitigate methane emissions across various temporal scale, spatial scales, and sectors. The planning grant study began with an extensive review of various methane sensing and monitoring technologies and systems, surveying over 100 technology providers globally. This review revealed the prevalence of optical methods over chemical methods in commercially available sensors, with Non-Dispersive Infrared (NDIR), Tunable Diode Laser Absorption Spectroscopy (TDLAS), and Optical Gas Imaging (OGI) cameras being the most prevalent options. A trend towards more advanced optical techniques was observed, driven by increased regulatory focus and technological advancements. The technical evaluation of these sensing technologies provided crucial insights into their capabilities and limitations. The study examined emerging technologies such as Differential Absorption LiDAR (DIAL), which show promise for high-precision and long-range detection. The team then investigated the features and application bandwidth of various sensing platforms, including handheld, fixed/stationary, mobile, aerials, and spaceborne monitors. Pilot field studies were conducted to assess the capabilities of solutions for different emission scenarios. Field work with sensor deployments was conducted at three distinct site types: an oil & gas industry site, a cattle ranching operation, and a waste processing facility. The team also conducted a thorough review of methane flux inverse modeling approaches, focused on physically based methods. These approaches were categorized into simple, intermediate, and advanced methods. A realtime WRF-GHG (Weather Research and Forecasting-Greenhouse Gas) modeling system was developed and applied, incorporating multiple data sources to guide field experiments and inform methane plume detection. The project identified and analyzed numerous categories of methane data sources, including satellite measurements, ground-based sensors, and inventory databases. Key platforms examined include EDGAR, EPA GHGI, NASA TROPOMI, Carbon Mapper, and Climate TRACE, among others. The team proposed an architecture for a comprehensive methane monitoring platform. This system incorporates multi-source data acquisition, advanced data processing and assimilation, interactive visualization tools, and analytical capabilities for emissions forecasting and scenario analysis. The proposed platform aims to provide a user-friendly interface catering to various stakeholders, from researchers to policymakers. The architecture includes sophisticated data ingestion methods, a centralized data warehouse, and advanced analytical tools for data fusion and interpretation. To ensure the relevance and effectiveness of the proposed system, a comprehensive survey was conducted to gather stakeholder input on system requirements. Key findings include a strong need for integrating various data types and formats, a preference for real-time data updates and advanced visualization tools, and a demand for user-friendly interfaces catering to different expertise levels.

03 NATURAL GAS↗