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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 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Mixed Precursor and Future Climate in the Southeast U.S. Field Campaign Report

The generation of atmospheric aerosols is a fundamental process in aerosol-climate interactions, where particles act as nuclei for cloud formation and ultimately influence Earth’s radiative balance. Understanding aerosol precursors, chemical compositions, and formation mechanisms, particularly for secondary organic aerosols (SOAs), is essential for assessing their overall impact on climate. Aerosol-climate interactions are especially important in the Southeastern United States (SE-US), where the atmosphere is strongly influenced by both biogenic and anthropogenic emissions, as well as intense land-atmosphere convective coupling. Current mechanistic representations of SOA formation under ambient conditions are largely extrapolated from laboratory-scale oxidation experiments involving individual volatile organic compounds (VOCs), which are often assumed to behave independently when present in mixtures. However, recent empirical evidence demonstrates that coexisting VOC precursors can undergo previously unexplored molecular-scale interactions that significantly alter SOA physicochemical properties, including mass loading, yield, and water uptake.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Charge collection and electrical characterization of neutron irradiated silicon pad detectors for the CMS High Granularity Calorimeter

The replacement of the existing endcap calorimeter in the Compact Muon Solenoid (CMS) detector for the high-luminosity LHC (HL-LHC), scheduled for 2027, will be a high granularity calorimeter. It will provide detailed position, energy, and timing information on electromagnetic and hadronic showers in the immense pileup of the HL-LHC. The High Granularity Calorimeter (HGCAL) will use 120-, 200-, and 300-$\mu\textrm{m}$ thick silicon (Si) pad sensors as the main active material and will sustain 1-MeV neutron equivalent fluences up to about $10^{16}~\textrm{n}_\textrm{eq}\textrm{cm}^{-2}$. In order to address the performance degradation of the Si detectors caused by the intense radiation environment, irradiation campaigns of test diode samples from 8-inch and 6-inch wafers were performed in two reactors. Characterization of the electrical and charge collection properties after irradiation involved both bulk polarities for the three sensor thicknesses. Since the Si sensors will be operated at -30 $^\circ$C to reduce increasing bulk leakage current with fluence, the charge collection investigation of 30 irradiated samples was carried out with the infrared-TCT setup at -30 $^\circ$C. TCAD simulation results at the lower fluences are in close agreement with the experimental results and provide predictions of sensor performance for the lower fluence regions not covered by the experimental study. All investigated sensors display 60$\%$ or higher charge collection efficiency at their respective highest lifetime fluences when operated at 800 V, and display above 90$\%$ at the lowest fluence, at 600 V. The collected charge close to the fluence of $10^{16}~\textrm{n}_\textrm{eq}\textrm{cm}^{-2}$ exceeds 1 fC at voltages beyond 800 V.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Lattice response to ambient self-irradiation of δ-phase 239 Pu-Ga alloys exposed to cryogenic temperatures

Self-irradiation in plutonium is a continuous process that introduces radiation damage ranging from point defects to nanoscale radiation damage as well as decay daughter product impurities that require to be accommodated by the host material. These changes are affecting the structure and properties of the material by lattice swelling, mechanical strengthening, and other alterations. X-ray diffraction and dilatometry studies have shown that the room temperature self-irradiation of δ-phase Pu-Ga alloys (2 and 7 at%Ga) results in swelling of the lattice that saturates after 0.1–0.2 displacement per atom (dpa) of accumulated lattice damage. Here, for a better understanding of these self- irradiation processes, defect accumulation and damage evolution, this time-of-flight neutron diffraction study investigates the impact of ambient self-irradiation effects on the structural evolution of δ-phase 239 Pu-Ga alloys exposed to cryogenic temperatures (<120 K), associated with a varied history of storage time and thermal treatments. Two key behaviors were observed in the lattice evolution after exposure to cryogenic temperatures with respect to room-temperature accumulated self-irradiation damage. Samples with no self- irradiation damage accumulation under ambient conditions showed swelling of the lattice at the end of the measurement, while samples that accumulated significant self-irradiation damage under ambient conditions showed only a partial recovery of the lattice parameter value upon completion of the measurements (cooling followed by heating back to room temperature). Possible causes of the behavior are proposed, and their associated effects are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Unraveling Exciton Trap Dynamics and Nonradiative Loss Pathways in Quantum Dots via Atomistic Simulations

Surface defects in colloidal quantum dots are a major source of nonradiative losses, yet the microscopic mechanisms underlying exciton trapping and recombination remain elusive. Here, we develop a model Hamiltonian based on atomistic electronic calculations to investigate exciton dynamics in CdSe/CdS core/shell QDs containing a single hole trap introduced by an unpassivated sulfur atom. By systematically varying the defect depth and reorganization energy, we uncover how defect-induced excitonic states mediate energy relaxation pathways. Our simulations reveal that a single localized defect can induce a rich spectrum of excitonic states, leading to multiple dynamical regimes, from slow, energetically off-resonant trapping to fast, cascaded relaxation through in-gap defect states. Crucially, we quantify how defect-induced polaron shifts and exciton-phonon couplings govern the balance between efficient radiative emission and rapid nonradiative decay. These insights clarify the microscopic origin of defect-assisted loss channels and suggest pathways for tailoring QD optoelectronic properties via surface and defect engineering.

Defects↗
DOE OSTI2021

Assessing the sources of reionization: a spectroscopic case study of a 30× lensed galaxy at z ~ 5 with Ly α , C IV, Mg ιι, and [Ne ιιι]

We present a detailed spectroscopic analysis of a galaxy at z ≃ 4.88 that is, by chance, magnified ~30× by gravitational lensing. Only three sources at z ≳ 5 are known with such high magnification. This particular source has been shown to exhibit widespread, high equivalent width ${{\rm C\, \small {IV}}}\ \lambda 1549\, \mathring{\rm A}$ emission, implying it is a unique example of a metal-poor galaxy with a hard radiation field, likely representing the galaxy population responsible for cosmic reionization. Using ultraviolet (UV) nebular line ratio diagnostics, Very Large Telescope (VLT)/X-shooter observations rule out strong active galactic nuclei (AGN) activity, indicating a stellar origin of the hard radiation field instead. We present a new detection of ${[{\rm Ne\, \small {III}}]}\ \lambda 3870\, \mathring{\rm A}$ and use the [${\rm Ne\, \small {III}}$]/[${\rm O\, \small {II}}$] line ratio to constrain the ionization parameter and gas-phase metallicity. Closely related to the commonly used [${\rm O\, \small {III}}$]/[${\rm O\, \small {II}}$] ratio, our [${\rm Ne\, \small {III}}$]/[${\rm O\, \small {II}}$] measurement shows this source is similar to local ‘Green Pea’ galaxies and Lyman-continuum leakers. It furthermore suggests this galaxy is more metal poor than expected from the fundamental metallicity relation, possibly as a consequence of excess gas accretion diluting the metallicity. Finally, we present the highest redshift detection of ${{\rm Mg\, \small {II}}}\ \lambda 2796\, \mathring{\rm A}$, observed at high equivalent width in emission, in contrast to more evolved systems predominantly exhibiting ${\rm Mg\, \small {II}}$ absorption. Strong ${\rm Mg\, \small {II}}$ emission has been observed in most z ~ 0 Lyman-continuum leakers known and has recently been proposed as an indirect tracer of escaping ionizing radiation. In conclusion, this strongly lensed galaxy, observed just $300\, \mathrm{Myr}$ after reionization ends, enables testing of observational diagnostics proposed to constrain the physical properties of distant galaxies in the James Webb Space Telescope (JWST)/Extremely Large Telescope (ELT) era.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Power loss analysis for the optical cavity of an x-ray laser oscillator

We investigate properties of optical elements in the optical cavity of an x-ray laser oscillator with emphasis on the power loss of a monochromatic Gaussian radiation beam upon passing through them using analytical and numerical approaches. Here we assume the optical cavity comprises of refractive lenses and Bragg crystals exploiting symmetric Bragg scattering. For the lens, we include focusing and curvature effects while we include angular filtering due to finite Darwin width of the Bragg crystal. Our results indicate the feasibility of x-ray power out-coupling in the range of 0.5%–28% with intracavity reflectivity of 67%–95% at 10.321 keV for nominal (≥ 65% reflectivity) cases. We also show the possibility of achieving high out-coupling of 35%–80% while restricting the intracavity reflectivity in the 19%–62% by adopting lossy cavities with 10–20 μ⁢m thin crystals.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Continued Verification of MOOSE Structural Mechanics Tools for Modeling Core Bowing Phenomena in Fast Reactors

Under the U.S. Department of Energy Office of Nuclear Energy’s Advanced Modeling and Simulation (NEAMS) Program, an integrated multiphysics approach is being developed to model the core bowing phenomena important to liquid metal-cooled fast reactors. Core bowing is an important passive safety mechanism whereby increased power (which leads to temperature and flux gradients) influences the core to bow into less reactive configurations when the restraint system is properly designed. The phenomenon includes a complex interplay of radiation transport, duct temperature calculations involving fluid flow and heat transfer, and thermo-mechanical responses to the induced temperature and flux gradients. Structural material properties are also important to determining inelastic response to longer term flux gradients which cause irradiation creep and swelling. While core bowing provides a strong negative reactivity feedback when the restraint system is designed properly, it also results in additional forces between assemblies which increase the loads required to extricate them during refueling or control rod movement. Therefore, the restraint system must be designed with these tradeoffs in mind. The first stage of the work, which commenced in FY21 and continues through FY22, assesses thermo-mechanical modeling tools for producing core bowing predictions consistent with conventional tools. The Multiphysics Object Oriented Simulation Environment (MOOSE) Tensor Mechanics and Contact Modules are employed. This status report describes work on additional thermo-mechanical benchmark verification problems with increased complexity from the examples demonstrated in FY21. Several benchmark verification examples were selected from the IAEA verification and validation report. These examples involve clusters of ducts representative of a sector of a hexagonal reactor core which bow into each other and cause contact and load pad elevations, as well as single ducts subjected to irradiation fields undergoing swelling and subsequent bowing. The MOOSE-based results were compared to both IAEA benchmark participants’ results, analytic equations as available, and NUBOW-3D, a beam model code developed by Argonne National Laboratory. In every case, the MOOSE results agreed with other simulations results, providing additional verification basis of the tools for this particular physics application.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Digital Image Correlation Strain Field Analysis of Materials for Target Systems

Many accelerator facilities are currently being limited in beam power by their target facilities. When exposed to high-energy proton beams, target systems experience radiation damage, mechanical stress, and extreme temperatures, altering their physical properties.For example, due to defects induced in materials by high-energy protons, the physical properties of materials will change during irradiation. Conducting PIEs (Post Irradiation Examinations) can help us understand how the materials can change.Analyzing the strain field across an irradiated sample can help identify where defects have been created, how the hardness of materials have changed, and where they will experience failure.

Ayyildiz, Onat↗
DOE OSTI2023

FY23 Status Report on MOOSE-Based Approaches to Modeling Core Bowing in Fast Reactors

Under the U.S. Department of Energy Office of Nuclear Energy’s Advanced Modeling and Simulation (NEAMS) Program, an integrated multiphysics approach is being developed to model the core bowing phenomena important to liquid metal-cooled fast reactors. Core bowing is an important passive safety mechanism whereby increased power (which leads to temperature and flux gradients) influences the core to bow into less reactive configurations when the restraint system is properly designed. The phenomenon includes a complex interplay of radiation transport, duct temperature calculations involving fluid flow and heat transfer, and thermo-mechanical responses to the induced temperature and flux gradients. Structural material properties are also important to determining inelastic response to longer term flux gradients which cause irradiation creep and swelling. While core bowing provides a strong negative reactivity feedback when the restraint system is designed properly, it also results in additional forces between assemblies which increase the loads required to extricate them during refueling or control rod movement. Therefore, the restraint system must be designed with these tradeoffs in mind. The first stage of the work, which commenced in FY21 and continues through FY23, assesses thermo-mechanical modeling tools for producing core bowing predictions consistent with conventional tools. The Multiphysics Object Oriented Simulation Environment (MOOSE) Tensor Mechanics and Contact Modules are employed. This status report describes work on additional thermo-mechanical benchmark verification problems with increased complexity from the examples demonstrated in FY21 and FY22. Several benchmark verification examples were selected from the IAEA verification and validation report with increased number of ducts and more complex contact interaction behavior. These examples involve a full symmetric sector with restraint rings at multiple load pad locations to simulate a limited free-bow restraint system concept, as well as irradiation induced swelling and creep effects in a sector. In addition, improvements to the contact module sideset assignment were assessed and compared with previous MOOSE results to verify the contact behavior. The MOOSE-based results were compared to IAEA benchmark participants’ results. In every case, the MOOSE results agreed with other simulations results for estimating bowing behavior, providing additional verification basis of the tools for this particular physics application. Estimation of contact forces were mostly in agreement, with a few outlier results. A plan was suggested for dealing with the discrepancies with estimating contact force values. In addition, a 1-way coupling demonstration was performed using subchannel analysis code Pronghorn-SC and MOOSE on an ABR-1000-design sodium-cooled fast reactor assembly to evaluate coolant and duct wall temperatures.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Summary of the Initial Post-Irradiation Characterization of HFIR-Irradiated Low-N and High-N HT-9 Steel

Reference cladding systems for sodium fast reactors are based on the historical steel, HT-9. HT-9 is a Fe12Cr ferritic/martensitic steel with additions of Mo, W, V, and other minor elements and demonstrates low irradiation swelling and adequate mechanical properties. Extensive irradiation literature exists on the use of HT-9 as cladding for metal fuel, primarily irradiation on the U-Zr/HT-9 system from the Experimental Breeder Reactor-II (EBR-II) and Fast Flux Test Facility (FFTF) sodium fast reactor, and as a structural material from experiments in the FFTF. The large amount of historical data makes the U-Zr/HT-9 system the reference fuel specification for many nuclear reactor vendors that seek to license modern sodium-cooled fast reactors in the United States. However, it is yet unclear how variations in impurity content within HT-9 fundamentally affect irradiation performance at various irradiation temperatures. Recent work suggests that impurity content may noticeably alter the production of helium through nuclear transmutation. For these reasons, High-Flux Isotope Reactor (HFIR) irradiation of HT-9 steels with known variations in the impurity content is particularly timely to generate data to enable more accurate refinement of the chemical specification for nuclear-grade HT-9 material. This report summarizes the initial transmission electron microscopy characterization of HFIR-irradiated HT-9 steels following mechanical property measurements by the Advanced Fuels Campaign (AFC). This report includes qualitative results of the cavity, dislocation loop and cluster/precipitate microstructures as well as radiation-induced segregation. Quantitative results are being shared with partner institutions and will be included in more detail in a future report in FY2026.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Aerosol characteristics at the Southern Great Plains site during the HI-SCALE campaign

Abstract. Large uncertainties exist in global climate model predictions of radiative forcing due to insufficient understanding and simplified numerical representation of cloud formation and cloud–aerosol interactions. The Holistic Interactions of Shallow Clouds, Aerosols and Land Ecosystems (HI-SCALE) campaign was conducted near the DOE's Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) site in north-central Oklahoma to provide a better understanding of land–atmosphere interactions, aerosol and cloud properties, and the influence of aerosol and land–atmosphere interactions on cloud formation. The HI-SCALE campaign consisted of two intensive observational periods (IOPs) (April–May and August–September, 2016), during which coincident measurements were conducted both on the G-1 aircraft platform and at the SGP ground site. In this study we focus on the observations at the SGP ground site. An Aerodyne high-resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS) and an Ionicon proton-transfer-reaction mass spectrometer (PTR-MS) were deployed, characterizing chemistry of non-refractory aerosol and trace gases, respectively. Contributions from various aerosol sources, including biogenic and biomass burning emissions, were retrieved using factor analysis of the AMS data. In general, the organic aerosols at the SGP site was highly oxidized, with oxygenated organic aerosol (OOA) identified as the dominant factor for both the spring and summer IOP though more aged in spring. Cases of isoprene-epoxydiol-derived secondary organic aerosol (IEPOX SOA) and biomass burning events were further investigated to understand additional sources of organic aerosol. Unlike other regions largely impacted by IEPOX chemistry, the IEPOX SOA at SGP was more highly oxygenated, likely due to the relatively weak local emissions of isoprene. Biogenic emissions appear to largely control the formation of organic aerosol (OA) during the HI-SCALE campaign. Potential HOM (highly oxygenated molecule) chemistry likely contributes to the highly oxygenated feature of aerosols at the SGP site, with impacts on new particle formation and global climate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Characterization of Radiation Induced Defects Across Scales

The Whole Powder Pattern Modelling (WPPM) approach of diffraction line profile analysis (LPA) was applied for the first time on PuO 2 in order to understand the evolution of the microstructural properties as a function of process conditions. Crystallite size distributions and defect concentrations were determined by WPPM on three different PuO 2 samples - including one with a bimodal distribution and compared to the result of more common LPA analyses used in PuO 2 literature studies (e.g. Scherrer equation, double Voigt method). The conclusion was that a lognormal distribution of spherical crystallites with dislocations most closely represent the microstructure of PuO 2 produced by heating Pu 2 (C 2 O 4 ) 3 (H 2 O) 6 •3H 2 O between 650°C and 850°C. The volume-weighted mean column length (Lvol) parameter obtained from the double Voigt method for the monomodal samples were the same as the Lvol obtained from the WPPM within uncertainty. The two LPA methods did not agree on the Lvol parameters of the bimodal distribution sample with only the WPPM getting values that were consistent with the individual components. The WPPM can potentially provide more insight into future studies of the influences on the microstructure properties of PuO 2 .

36 MATERIALS SCIENCE↗
DOE OSTI2025

Ab-initio informed cluster dynamics simulation of self- and Xe diffusivity in uranium mononitride under irradiation

Uranium mononitride (UN) is one of the ceramic nuclear fuel alternatives to oxide fuels considered for light water reactor and advanced reactor designs, as it presents significant advantages such as high uranium density (better economics) and high thermal conductivity and melting point (increased safety). Self- and fission gas diffusivities need to be better understood, given that they influence key fuel performance phenomena like swelling and fission gas release. Recently, radiation enhanced diffusivity was investigated in UN by means of cluster dynamics simulations relying on empirical potential-based parameterizations, the reliability of which highly depends on the interatomic potential accuracy. Here, in this work, we refine this approach by determining, using ab-initio calculations, the properties of defect clusters containing vacancies, self-interstitials and Xe impurities. We also consider larger clusters than previous studies. The obtained dataset (formation enthalpies, entropies, and migration barriers) is used to parameterize a cluster dynamics model of mobile clusters, and to calculate the defect cluster concentrations under irradiation. This gives us access to the radiation enhanced self- and fission gas diffusivities. Although the resulting diffusivities are close to the values reported in the literature, we find important qualitative differences in the diffusion mechanisms. Capturing the correct mechanisms is crucial to properly describe the chemistry and fission rate dependence of the model.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Review of allanite: Properties, occurrence and mineral processing technologies

Allanite is commonly encountered as an accessory rare-earth silicate mineral in association with minerals such as garnet, biotite, and feldspar. It is distributed globally and occurs in igneous formations such as granites, pegmatites, and syenites, as well as in various metamorphic rocks such as schist, gneiss, and amphibolite. Moreover, it can be found in mineral veins formed through hydrothermal activity. While allanite has not yet been extensively utilized for the production of rare-earth elements, recent discoveries of high-grade rare-earth-rich allanite deposits in Wyoming, USA, highlight its economic potential. However, despite ongoing research on the mineralogy and processing of rare-earth minerals, allanite has not received widespread attention in mineral processing. To achieve economical extraction of rare-earth elements from allanite in the future, systematic studies on processing techniques (e.g., density separation, magnetic separation, flotation, leaching) are imperative to fully unlock the potential of allanite as a rare-earth element source. To pave the way for future investigation of allanite and address the unique processing challenges, this review article aims to comprehensively summarize previous studies, encompassing properties, occurrences, and processing technologies of allanite.

42 ENGINEERING↗
DOE OSTI2021

Nuclear charge densities in spherical and deformed nuclei: Toward precise calculations of charge radii

Precise measurements of atomic transitions affected by electron-nucleus hyperfine interactions offer sensitivity to explore basic properties of the atomic nucleus and study fundamental symmetries, including the search for new physics beyond the standard model of particle physics. Specifically, such measurements, augmented by atomic and nuclear calculations, will enable extraction of the higher-order radial moments of the charge-density distribution in spherical and deformed nuclei. The new data impose higher precision requirements on a theoretical description. The nuclear charge density is composed of the proton point distribution folded with the nucleonic charge distributions. The latter induce subtle relativistic corrections due to the coupling of nucleon magnetic moments with the nuclear spin-orbit density. Additional corrections come from the effect of center-of-mass projection. We assess the precision of nuclear charge density calculations by studying the behavior of relativistic and center-of-mass motion corrections to the second and fourth charge radial moments. Special attention has been paid to the magnetic spin-orbit density associated with the local variations of the spin-orbit current. The calculations for semimagic and open-shell nuclei are performed in the framework of self-consistent mean-field theory using quantified energy density functionals and density-dependent pairing forces. We used the general expression for the spin-orbit form factor that is valid for spherical and deformed nuclei. We studied the impact of various correction terms on the charge radii, fourth radial moments, diffraction radii, and surface thickness of spherical and deformed nuclei. The spin-orbit corrections to charge radial moments and surface thickness show strong shell fluctuations which can make an appreciable effect when aiming at high-precision predictions of isotopic shifts. The inclusion of relativistic and center-of-mass corrections impacts the quality of energy density functionals optimized to charge radii data. To establish reliable constraints on the existence of new forces from isotope shift measurements, precise calculations of nuclear charge densities of deformed nuclei are needed. The proper inclusion of the spin-orbit charge density and other correction terms is essential when aiming at extraction of subtle effects which become particularly visible in isotopic trends. It is also important when developing high-quality nuclear energy density functionals optimized using heterogeneous datasets involving absolute charge radii, differential charge radii, and charge form factor properties deduced from electron-scattering data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Characterization of the inner edge of the neutron star crust

The poorly known crustal equation of state plays a critical role in many observational phenomena associated with a neutron star. Here using semiclassical Monte Carlo simulations, we explore the possible configurations of the inner edge of the neutron star crust for a variety of baryon densities and proton fractions. Applying the Kirkwood-Buff theory to these two-component systems, we observe how the isothermal compressibility reaches a maximum when isolated nonsymmetric (or quasispherical) clusters are formed in an extremely dilute neutron gas. To determine the neutron fraction, we suggest a geometrical model based on the behavior of the proton-neutron pair correlation function. Accordingly, the equation of state of the inner crust is calculated, illustrating that the nuclear energy in β equilibrium follows a power-law behavior with baryon density. As a possible astrophysical outcome of this study, our results could help refine the mass-radius relation. Finally, our results pave the way towards further investigations of the impact of the proton-neutron pair correlation function on transport properties within the neutron star crust.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

The In Situ Ion Irradiation Toolbox: Time-Resolved Structure and Property Measurements

Abstract The dynamic interactions of ions with matter drive a host of complex evolution mechanisms, requiring monitoring on short spatial and temporal scales to gain a full picture of a material response. Understanding the evolution of materials under ion irradiation and displacement damage is vital for many fields, including semiconductor processing, nuclear reactors, and space systems. Despite materials in service having a dynamic response to radiation damage, typical characterization is performed post-irradiation, washing out all information from transient processes. Characterizing active processes in situ during irradiation allows the mechanisms at play during the dynamic ion-material interaction process to be deciphered. In this review, we examine the in situ characterization techniques utilized for examining material structure, composition, and property evolution under ion irradiation. Covering analyses of microstructure, surface composition, and material properties, this work offers a perspective on the recent advances in methods for in situ monitoring of materials under ion irradiation, including a future outlook examining the role of complementary and combined characterization techniques in understanding dynamic materials evolution.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Deciphering between enhanced light emission and absorption in multi-mode porphyrin cavity polariton samples

Abstract It remains unclear how the collective strong coupling of cavity-confined photons to the electronic transitions of molecular chromophore leverages the distinct properties of the polaritonic constituents for future technologies. In this study, we design, fabricate, and characterize multiple types of Fabry-Pérot (FP) mirco-resonators containing copper(II) tetraphenyl porphyrin (CuTPP) to show how cavity polariton formation affects radiative relaxation processes in the presence of substantial non-Condon vibronic coupling between two of this molecule’s excited electronic states. Unlike the prototypical enhancement of Q state radiative relaxation of CuTPP in a FP resonator incapable of forming polaritons, we find the light emission processes in multimode cavity polariton samples become enhanced for cavity-exciton energy differences near those of vibrations known to mediate non-Condon vibronic coupling. We propose the value of this detuning is consistent with radiative relaxation of Herzberg-Teller polaritons into collective molecular states coupled to the cavity photon coherently. We contrast the feature stemming from light emission from the HT polariton state with those that occur due to polariton-enhanced light absorption. Our results demonstrate the landscape of molecular and photonic interactions enabled by cavity polariton formation using complex chromophores and how researchers can design resonators to leverage these interactions to characterize and control polaritonic properties.

Odewale, Elizabeth O.↗