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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
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Quantifying Trapped Powder in Electron Beam Powder Bed Fusion

Abstract Electron beam powder bed fusion (PBF-EB) shows great potential for manufacturing complex parts including those with internal cavities for heat exchanger, manifold systems, or energy absorption purposes. PBF-EB allows for the manufacture of channel geometries without the need for support structures. Due to the nature of the powder spreading process, powder feedstock is often trapped in intentionally manufactured cavities. This trapped powder can often be difficult to remove and can disturb the intended flow of fluid through the cavity or damage downstream components in its use case. These trapped powder particles present a risk of contamination and component failure if not completely evacuated. Ti6Al4V is a choice material for aerospace applications due to its high strength to weight ratio and its composition as a nonferrous metal; however, in weight sensitive applications excess entrapped powders or powders loosely attached to the surface could cause undesirable weight increases. The inherent spreading process of PBF-EB is different than laser powder bed fusion (PBF-LB) in its operational temperature, sintering. In addition, PBF-EB is less commonly studied in literature compared to its PBF-LB counterpart, and as a result the complexity of the semi-sintered powder and its spreading behavior are not well understood. Prior work has investigated the difficulty in removing trapped powder from PBF-EB, but these studies do not address how to quantify the amount of trapped powder in the cavity. Thus, an accurate method to measure the amount of trapped powder in the cavity must be investigated. In this work, Ti6Al4V coupons were manufactured with horizontal and vertical cavities of three different sizes. Archimedes testing allows for the determination of density differences caused by porosity and trapped powders by measuring mass and volumetric dispersion. Computed tomography (CT) is well suited for segmenting the internal structure and features of a part and has been studied for applications including voids, porosity, and dross. Thus, CT was explored as a method for evaluating trapped powder content in this work. The volumetric representation of the segmentation of the reconstructed CT volume can vary greatly depending on the input filter and thresholding methods. In this study, four different types of segmentation approaches were evaluated to determine the best approach for segmenting the volume as compared to an operator labeled ground truth. The percentage density results from the Archimedes testing were compared to the volumetric percent density from the computed tomography approach. Differences in packing density between two different internal channel features were investigated. Overall, this work sought to validate the use of computed tomography for the detection of trapped powders and present a framework for volumetric segmentation.

Johnstone, Brian↗
DOE OSTI2026

Case Study of Integrating High-Temperature Heat Pump with LiBr-H2O Absorption Chiller for Data Center Liquid Cooling

Data centers (DCs) are physical infrastructures that support artificial intelligence workloads. The rapid growth of artificial intelligence is putting substantial pressure on the US power grid. Most of electricity consumed by IT equipment, accounting for 50%-60% of total DC power, ultimately becomes waste heat. This heat is dissipated by DC’s cooling facilities, accounting for an additional 30%-40% of total DC power. Recovering and repurposing this waste heat offers a significant opportunity to enhance energy efficiency and reduce operating costs of DCs. One potential pathway is converting heat to cold using thermal-driven absorption chillers, therefore, reducing the power consumption in DC cooling facilities. Existing studies mainly demonstrate the technical and economic feasibility of repurposing DC’s waste heat for cooling applications but provide limited technical details on how to integrate the thermal-driven absorption chillers with DC cooling systems. In addition, the low-grade waste heat available from DCs must be upgraded to higher temperatures suitable for absorption chillers. This paper presents a case study on integrating high-temperature heat pumps with a LiBr-H2O absorption chiller to use DC waste heat for cooling. A thermodynamic model of single-effect, LiBr-H2O absorption chiller and an empirical model of high-temperature heat pumps were built. The case study considers ASHRAE W17 liquid-cooled DC, with facility service water supplied at 17.0℃ and returned at 25.3℃. The thermal behaviors of absorption chiller components were predicted for the generation temperature ranging from 75.0℃ to 115.0℃. Based on the available waste heat in the integrated system, two waste heat recovery strategies were evaluated: a facility service water-based strategy and cooling water-based strategy. Results indicated that the cooling water-based strategy achieves higher Coefficient of Performance (COPs) than the facility service water-based strategy. The relatively low cooling COPs of single-effect LiBr-H2O absorption chillers could be offset by high heating COP of high temperature heat pumps. The maximum cooling COP of absorption chiller and the overall COP of integrated systems occur at lower generation temperatures, but these conditions also yield lower cooling capacities. In practice, system operation should balance the trade-off between the COP and cooling capacity

Wang, Pengtao [ORNL] (ORCID:0000000214713429)↗
DOE OSTI2026

Thermomechanical analysis and modeling of a high-temperature light trapping planar cavity solar receiver

The development of durable particle-based high-temperature solar receivers is critical for advancing concentrating solar-thermal (CST) technologies to enable high-efficiency power generation and industrial process heat. Here, this study presents a computational framework to evaluate the thermomechanical performance of a proposed enclosed light-trapping planar cavity receiver designed for particle-based thermal energy systems. The receiver incorporates absorptive cavities and fluidized particle-bed channels to enhance heat capture and reduce thermal losses. Finite element analysis (FEA) is employed to assess stress, strain, and creep-fatigue behavior under concentrated solar flux using realistic thermal boundary conditions derived from coupled system models and experimental assembly parameters. The analysis investigates the influence of particle-to-wall heat transfer coefficients (HTC) ranging from 800 to 1800 W/m 2 .K on the thermomechanical response of six candidate high-temperature alloys: Alloy 740H, Alloy 282, Alloy 617, 316H, Alloy 230, and 800H. Results show that increasing HTC reduces thermal gradients, leading to lower stresses and strains and extended minimum predicted creep life. While all materials satisfy fatigue life requirements under the investigated conditions, significant differences in creep resistance are observed. Alloy 740H consistently exhibits the longest minimum predicted creep life and the most favorable durability margins, followed by Alloy 282, with the remaining materials showing reduced creep resistance under identical loading. The reported creep lives are conservative lower-bound estimates intended for comparative material evaluation. This framework highlights the critical roles of material selection and geometry optimization in improving mechanical durability and reliability of solar-thermal receivers, forming a foundation for future experimental validation and design optimization.

14 SOLAR ENERGY↗
DOE OSTI2024

The effect of temperature oscillations on energy storage rectification in harmonic systems

Abstract Rectification, the preferential transport of a current in one direction through a system, has garnered significant attention in molecules because of its importance for controlling thermal and electronic currents at the nanoscale. Here, we report the presence of energy storage rectification effects in a molecular chain. This phenomenon is generated by subjecting a harmonic molecular chain to an oscillating temperature gradient and showing that the energy absorption rate of the system depends on the direction of the gradient. We examine how the energy storage rectification ratios in the chain are affected by the oscillating gradient, asymmetry in the chain, and the system parameters. We find that energy storage rectification can be observed in harmonic lattice structures with time-dependent temperatures and that, correspondingly, anharmonicity is not required to generate this rectification mechanism in such systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Comparative study of machine learning techniques for post-combustion carbon capture systems

Computational analysis of countercurrent flows in packed absorption columns, often used in solvent-based post-combustion carbon capture systems (CCSs), is challenging. Typically, computational fluid dynamics (CFD) approaches are used to simulate the interactions between a solvent, gas, and column's packing geometry while accounting for the thermodynamics, kinetics, heat, and mass transfer effects of the absorption process. These simulations can then be used explain a column's hydrodynamic characteristics and evaluate its CO 2 -capture efficiency. However, these approaches are computationally expensive, making it difficult to evaluate numerous designs and operating conditions to improve efficiency at industrial scales. In this work, we comprehensively explore the application of statistical ML methods, convolutional neural networks (CNNs), and graph neural networks (GNNs) to aid and accelerate the scale-up and design optimization of solvent-based post-combustion CCSs. We apply these methods to CFD datasets of countercurrent flows in absorption columns with structured packings characterized by several geometric parameters. We train models to use these parameters, inlet velocity conditions, and other model-specific representations of the column to estimate key determinants of CO 2 -capture efficiency without having to simulate additional CFD datasets. We also evaluate the impact of different input types on the accuracy and generalizability of each model. We discuss the strengths and limitations of each approach to further elucidate the role of CNNs, GNNs, and other machine learning approaches for CO 2 -capture property prediction and design optimization.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Application of Hybrid K-Edge Densitometry in Reprocessing Facilities

During reprocessing operations, accurately determining the elemental concentrations of uranium and plutonium is critical for nuclear security. Reprocessing facilities processes hundreds of tons of nuclear material annually, requiring accurate measurements to ensure effective nuclear material control and accountability. Hybrid K-edge densitometry (HKED) system combines K-edge absorption densitometry with x-ray fluorescence to measure actinide elemental concentrations with a low uncertainty. This system uses high-purity germanium gamma-ray detectors and advanced signal processing equipment to detect x-ray accurately. This document provides guidance on how to achieve effective performance from an HKED system for measuring uranium and plutonium concentrations in reprocessing facilities. It includes best practices for the setup and operation of an HKED system, while highlighting factors influencing uncertainties.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Short-Term Inhibition and Long-Term Enhancement of Irreversible Trace Metal Binding to Goethite in Multi-Metal Systems

Iron (oxyhydr)oxide minerals are important sorbents of trace metals in aquatic environments. Adsorption–desorption hysteresis has been documented for trace metals after aging, suggesting that they become incorporated over time. We previously found that ion size controls the extent of irreversible metal binding of single metals to goethite. In this study, we evaluate how the presence of multiple metals influences irreversible binding. Mixed Ni–Zn and Ni–Cd solutions were aged with goethite at pH 7 for 2 days, 30 days, and 60 days, after which isotope exchange experiments were performed to assess the lability of the adsorbed metal pools. After 2 days of aging, Ni and Cd in mixed-metal systems were more labile than in single-metal systems, indicating that competitive adsorption may partially block irreversible binding on short time scales. After 60 days, all three metals had larger irreversibly bound fractions than in single-metal systems. X-ray absorption near-edge structure (XANES) spectroscopy indicates that irreversibly bound fractions correlate with incorporation into goethite. This study demonstrates that pools of coadsorbed metals are bioaccessible on a time scale of minutes. Cooperative effects promote the structural sequestration of even large trace metals, causing reactive transport models to likely overpredict metal mobility. Long-term metal entrapment processes hinder micronutrient availability, impact contaminant sequestration and critical mineral recovery, and yield complex pathways through which metal solubilization may be enhanced or hindered during redox cycling.

58 GEOSCIENCES↗
DOE OSTI2026

Phonon modulation of strongly coupled gold tetrahedral plasmonic nanoparticles and a carbocyanine J-aggregate

Coupling exciton and plasmon excitations to form polaritons are of great interest for manipulating energy transfer at the nanoscale via the formation of hybrid light–matter states. In this study, we successfully couple gold tetrahedral nanoparticles with the J-aggregate forming dye 5,5′,6,6′-tetrachloro-1,1′-diethyl-3,3′-di(4-sulfobutyl)-benzimidazolocarbocyanine (TDBC) to form a strongly coupled colloidal polariton system with a Rabi splitting energy of ∼206 meV. These gold tetrahedra exhibit coherent phonon modes upon photoexcitation, which produce transient oscillations of the LSPR energy for isolated tetrahedra. Transient absorption measurements of the polariton system were performed and show how these coherent phonon modes influence the polariton states’ extinction. We found that the oscillation period increases by 0.5 ± 0.14 ps upon surface deposition of TDBC dye, demonstrating LSPR sensitivity to the refractive index environment. Shifts in the plasmon resonance due to the coherent phonon modes transiently alters LSPR alignment with the J-aggregate exciton peak, resulting in shifts of the hybrid polariton states’ oscillator strength.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Sulfur speciation in dacitic melts using X-ray absorption near-edge structure spectroscopy of the S K -edge (S-XANES): Consideration of radiation-induced changes and the implications for sulfur in natural arc systems

Abstract The synchrotron technique of micro X-ray absorption near-edge structure spectroscopy at the sulfur K-edge (S-XANES) provides a unique opportunity to measure the proportion of different oxidation states of sulfur (S) in silicate glasses. Although applied extensively in the analysis of basaltic silicate glasses, few S-XANES studies have investigated variations in S oxidation states with fO2 in felsic silicate glasses. In addition, no study has systematically compared the S-XANES results obtained from the same samples at different photon flux densities to quantify the relationship between exposure time and changes in S speciation in silicate glass, as has been done for Fe and V. This study evaluates observed differences in S speciation measured in experimentally produced H2O-saturated dacitic glasses over a range of reducing to oxidizing conditions (from log fO2 = ΔFMQ-0.7 to ΔFMQ+3.3; FMQ is the fayalite-magnetite-quartz mineral redox buffer) and equilibrated at 1000 °C and 300 MPa. S-XANES spectra were collected at three different photon flux densities using three microspectroscopy beamlines. As is observed in S-XANES analyses of basaltic silicate glasses, beam-induced changes to the S6+/ΣS are observed as a function of photon flux density and beam exposure time. Our results demonstrate that silicate glasses of dacitic composition undergo beam-induced photo-reduction in samples equilibrated at ΔFMQ > +1.75 and photo-oxidation if equilibrated at ΔFMQ < +1. The time required to observe beam-induced changes in the spectra varies as a function of flux density, and our study establishes an upper photon density limit at ~1.0 × 1012 photons/µm2. The S6+/ΣS calculated from spectra collected below this absorbed photon limit at intermediate flux densities (~1–4 × 109 photons/s per µm2) are affected by beam damage, as no conditions were found to be completely free of beam-induced changes. However, the S6+/ΣS ratios calculated below the limit at intermediate flux densities are consistent with thermodynamic constraints, demonstrating that S6+/ΣS ratios calculated from S-XANES spectra can be considered reliable for estimating the oxygen fugacity. Our results carry important implications for the S budget of felsic magmas and dissolution mechanisms in evolved melts. While our results from all three flux densities show the presence of S4+ dissolved in relatively oxidized (ΔFMQ > +1.75) dacitic glass, even in the spectra exposed to the lowest photon densities, we are unable to rule out the possibility that the S4+ signal is the result of instantaneous X-ray irradiation induced beam damage using S-XANES alone. When our spectra are compared to S-XANES spectra from basaltic silicate glasses, important differences exist in the solubility of S2– and S6+ between dacitic silicate melts, pointing to differences in solubility mechanisms as melt composition changes. This study highlights the need for further investigation into beam damage systematics, presence of S4+, and the solubility mechanisms of different oxidation states of S as silicate melt composition changes.

Geochemistry & Geophysics↗
DOE OSTI2026

Near-Real-Time Material Tracking: Combining Vis–NIR Spectroscopy with Flow Sensing for Accurate Nd(III) Quantification

A fiber-optic visible–near-infrared (vis–NIR) absorption spectroscopy and flow sensor system has been developed for near-real-time tracking of Nd mass in the effluent stream from a column in a fume hood. The approach leverages two unique data streams and a partial least-squares regression (PLSR) model trained on vis–NIR absorption spectra of Nd(III) (0–1.5 M) in 1 M HNO 3 . In-line volumetric flow rate and vis–NIR spectra are measured in sequence after a chromatography column. The time stamps from each data stream are then synchronized, which allows integrated volumes to be combined with Nd(III) molarities predicted by a PLSR model to accurately calculate the Nd mass flowing through the column. This integrated measurement provides instantaneous mass flow and accumulates these data over time to obtain the total mass processed. The methodology developed in this study contributes critical technical infrastructure to improve monitoring capabilities to support chemical separations and the production of strategic materials and isotopes.

Irvine, Sawyer B. [Oak Ridge National Laboratory (↗
DOE OSTI2024

GPU-Accelerated Solution of the Bethe–Salpeter Equation for Large and Heterogeneous Systems

We present a massively parallel GPU-accelerated implementation of the Bethe–Salpeter equation (BSE) for the calculation of the vertical excitation energies (VEEs) and optical absorption spectra of condensed and molecular systems, starting from single-particle eigenvalues and eigenvectors obtained with density functional theory. The algorithms adopted here circumvent the slowly converging sums over empty and occupied states and the inversion of large dielectric matrices through a density matrix perturbation theory approach and a low-rank decomposition of the screened Coulomb interaction, respectively. Further computational savings are achieved by exploiting the nearsightedness of the density matrix of semiconductors and insulators to reduce the number of screened Coulomb integrals. We scale our calculations to thousands of GPUs with a hierarchical loop and data distribution strategy. The efficacy of our method is demonstrated by computing the VEEs of several spin defects in wide-band-gap materials, showing that supercells with up to 1000 atoms are necessary to obtain converged results. We discuss the validity of the common approximation that solves the BSE with truncated sums over empty and occupied states. In conclusion, we then apply our GW-BSE implementation to a diamond lattice with 1727 atoms to study the symmetry breaking of triplet states caused by the interaction of a point defect with an extended line defect.

Absorption spectra↗
DOE OSTI2024

Coatings for CSP Lifetime

The feasibility and performance of tower-technology-based concentrated solar power (CSP) is highly dependent on the efficiency of the energy transformation from sun to heat at the receiver. The higher the solar absorptivity of the receiver coating, the higher the efficiency of the plant as a whole. BrightSource Energy (BSE) has developed a series of High-Performance Coating (HPC) systems in order to achieve high absorptivity over the plant lifetime (25-35 years). This requires stable coatings that are easily applicable on the large receiver surface and will maintain their optical properties under intense solar flux and thousands of heating and cooling cycles in desert conditions. Different coating formulations are required according to the differing plant conditions: receiver materials, operating conditions (temperatures, daily cycles, etc.), and environmental conditions. BSE also developed a coating for the next generation of CSP receivers, such as those being under DOE’s CSP Gen3 program, which will be operated with high temperature heat transfer fluids at temperatures of up to 800°C, which is significantly hotter than the operating temperature of current systems. Once the coating is formulated, the next challenge is evaluating its lifetime properties. BSE has found several independent failure modes that impact HPC absorptivity degradation: • Decrease in HPC optical properties due to oxidation in the receiver tubes surface below the HPC; • HPC film deterioration due to cycling of temperatures and humidity due to daily operation startup and shutdown as well as changing ambient conditions; • Mechanical degradation due to erosion by sand and wind. Existing test methods examine various aspects independently, but do not provide a combined accelerated lifetime result. Creating such a combined test suite, with a way to interpret the results to predict the coating’s projected lifetime, was the ultimate goal of this project. The project was divided into three major workstreams: lab testing (individual failure mode tests and combined failure mode tests); developing a theoretical model for aging; and validation of the test apparatus via on-sun testing in near real-world conditions at CIEMAT-PSA. Developing a test apparatus that accurately controlled the temperature while also introducing the desired solar flux proved more challenging than expected. While in the end we did succeed in creating a test apparatus that can control temperature, solar flux, and humidity, the results did not appear to accelerate the lifetime of the samples as desired. We suspect that to properly accelerate the samples we must also subject the samples to increased amounts of oxygen. Similarly, while we successfully created a combined model that is publicly available, we were unable to validate it sufficiently to feel comfortable recommending it as a general guideline.

14 SOLAR ENERGY↗
DOE OSTI2026

Demonstration of gold nanorod systems for enhanced total efficiency: Experimental and numerical analysis

This study investigates the photothermal performance of gold nanorods engineered to exhibit longitudinal plasmon resonances at 695 nm, 780 nm, and 970 nm. The work combines synthesis, structural characterization, extinction measurements, numerical modeling, and controlled temperature experiments to quantify how nanorod geometry, resonance tuning, concentration, and chamber shape jointly influence heat generation. Transmission electron microscopy confirms that increasing nanorod aspect ratio systematically shifts the longitudinal plasmon peak toward the near-infrared region. Extinction measurements show strong agreement with theoretical predictions, validating the numerical model across two independent datasets. Three chamber geometries were tested under laser excitation at 640 nm, 808 nm, and 980 nm: an ascending stepped base, a flat base, and a descending stepped base. Without nanorods, the ascending geometry produced the highest efficiency due to enhanced natural convection. After introducing gold nanorods, all geometries exhibited substantial thermal enhancement, with total efficiencies exceeding 20%. The strongest improvement was obtained for nanorods resonant at 780 nm with a mass concentration of 4.6 mg/mL implemented on the descending stepped-base geometry. This performance resulted from the combined effect of spectral overlapping with the 808 nm laser, the highest nanorod concentration, and localized heat accumulation that intensified buoyancy-driven flow. The findings demonstrate that total efficiency is governed by a synergistic interplay between optical resonance, nanoparticle concentration, and macroscopic chamber design, revealing the system-level coupling between nanoscale plasmonic absorption and macroscale heat-transfer phenomena. The results provide a validated framework for tuning nanoscale plasmonic absorbers and optimizing thermal systems for applications requiring efficient light-to-heat conversion.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Bis( tert -butoxydiphenylsilyl)amide Divalent Lanthanide Complexes

The development of new ligand systems to stabilize “nontraditional/ non-classical” divalent lanthanides is key to tuning the chemical and physical properties of their mixed principal quantum number 4f n 5d 1 ground states. The design and study of novel ligand systems which stabilize occupation of differing orbitals within the 5d manifold for these ions constitutes an area ripe for exploration. Our efforts toward the development of redox-innocent bulky silylamide ligands to stabilize pseudo-octahedral coordination geometries for divalent lanthanides have resulted in the synthesis of the bis( tert -butoxydiphenylsilyl) amide ligand, whose coordination complexes with Sm 2+ , Eu 2+ , and Yb 2+ are reported herein. These systems have been fully characterized by single-crystal X-ray diffraction, elemental analysis, cyclic voltammetry, direct-current magnetometry, and infrared, nuclear magnetic resonance, and electronic absorption spectroscopies. Attempts to extend this system to the more reducing Tm 2+ ion resulted in an inseparable mixture of products from which crystals of the analogous Tm 2+ species and a reduced dinitrogen, bimetallic Tm 3+ -Tm 3+ complex bridged by a η 2 -N 2 3− radical could be identified. Though progress toward six-coordinate complexes of reducing “traditional/ classical” divalent ions is noted for these systems, further work is needed to improve the synthetic utility of this ligand framework for the study of “non-traditional/non-classical” divalent lanthanides with a mixed-principal quantum number 4f n 5d 1 ground state.

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

High-temperature stability and thermal expansion behavior of equi-atomic refractory multi-principal element alloys based on MoNbTi system for Gen IV reactor applications

The present study investigates the thermal stability and thermal expansion behavior of seven equi-atomic refractory multi-principal element alloys (MPEAs) based on the MoNbTi ternary system composed of low neutron absorption cross section elements. Through an integrated approach utilizing in-situ high-temperature X-ray diffraction (HT-XRD) in conjunction with differential scanning calorimetry (DSC), dilatometry and ageing heat treatment, the thermal stability of the MPEAs was comprehensively analyzed. In-situ HT-XRD experiment confirmed the stability of the room temperature phases up to 1000 °C with no peaks observed corresponding to additional phases in the HT-XRD patterns at 500, 800 and 1100 °C. DSC thermograms showed the absence of peaks up to 1000 °C, while peaks and valleys corresponding to exothermic and endothermic events were observed above 1000 °C. Coefficient of thermal expansion (CTE) derived from second order polynomial fitting of linear thermal expansion data from the dilatometry experiment showed linear increment up to 1000 °C for all the alloys except those containing Zr. The Cr containing alloys exhibited notably higher CTE values, particularly the Al containing alloy exhibited the highest value. Ageing heat treatment at 800 and 1000 °C for 96 h and subsequent microstructural analysis revealed significant precipitation of secondary phases in MoNbTiZr, MoNbTiZrV and MoNbTiCrAl. In conclusion, a substantial increase in hardness was observed in MoNbTiZr and MoNbTiCrAl due to secondary phase precipitation, while the other alloys maintained hardness values comparable to their as-cast and homogenized states.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Structural dynamics of laser-ionized cis-stilbene studied by ultrafast electron diffraction

Stilbene has been a model system for studying photoisomerization upon absorption of a UV photon. Although the dynamics of the first excited state have been investigated in great detail, the structural dynamics of cationic states remains largely experimentally unexplored. In this study, the dynamics following ionization via absorption of two UV photons was captured using ultrafast electron diffraction. cis-stilbene (CS) was optically pumped with 267 nm ultraviolet light with two different pump fluences and probed with 3.7 MeV electrons. We compare our experimental results to ab-initio multiple spawning simulations for single-photon excitation and molecular dynamics simulations for ionization in order to separate the contributions from the two channels. We found that with a fluence of 170 mJ cm −2 both the single and two-photon channels are present, while with higher fluence of 280 mJ cm −2 the two-photon channel dominates. We did not observe isomerization of the CS cation and found the main structural motion a to be a vibration of the phenyl rings about the central C–C bond.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Soft X‐Ray Absorption Spectroscopy With a Flat Liquid Jet in Vacuum Using a Table‐Top Laser‐Induced Plasma Source

ABSTRACT In this work, we demonstrate the integration of a flat liquid jet sample delivery system into a compact soft x‐ray absorption spectrometer using a table‐top laser‐induced plasma source. A high‐speed flat liquid sheet is formed by the collision of two cylindrical jets. This micrometer‐thin lamella can ideally be utilized for transmission‐mode soft x‐ray absorption spectroscopy using krypton plasma emission. Detailed analysis of the jet's thickness profile is achieved applying Lambert–Beer's law. Measurements on water, focusing on the oxygen K‐edge, reveal a lamella thickness profile ranging from 500 nm to 1 μm over a length of 3.8 mm. Additionally, we have investigated aqueous solutions of iron salts, capturing near edge x‐ray absorption fine structure spectra over a broad spectral range from the nitrogen K‐edge to the iron L‐edge. Focused analysis on iron species in aqueous solutions enabled us to distinguish quantitatively between the oxidation states of Fe 2+ and Fe 3+ at the iron L‐edge. Our results are compared with measurements obtained under similar conditions at a synchrotron.

Holburg, Jonathan [Department Optics/Short Wavelen↗