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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Recent developments and operation of polarized photocathodes at Jefferson Lab

Spin-polarized electron sources are critical to a wide range of accelerator-based applications for nuclear and particle physics. At Thomas Jefferson National Accelerator Facility, they play a central role in delivering high-quality polarized beams for precision nuclear physics experiments and next-generation parity-violation measurements, where stringent control of systematic uncertainties is essential. These sources are also expected to be key components of other initiatives, including the Electron-Ion Collider and the potential future positron capabilities at Jefferson Lab. In this talk, I will present ongoing research and development efforts at Jefferson Lab focused on the design, fabrication and optimization of spin-polarized photocathodes. This includes growth using molecular beam epitaxy (MBE) or metal-organic chemical vapor deposition (MOCVD), along with detailed characterization of their performance metrics, such as quantum efficiency (QE), electron spin polarization and QE anisotropy, all of which are increasingly important metrics for polarized electron sources at Jefferson Lab and the Electron-Ion Collider. Strategies to mitigate QE anisotropy, which is critical for reducing helicity-correlated beam asymmetries in precision experiments such as MOLLER will be highlighted. Finally, I will present recent efforts aimed at improving the operational lifetime of spin-polarized photocathodes in injector environments, particularly under high-voltage conditions in DC electron guns. These developments are essential for enabling reliable, high-performance operation of polarized sources for current and future accelerator programs.

Kachwala, Alimohammed [Thomas Jefferson National A↗
DOE OSTI2021

Optimal Cosmic Microwave Background Lensing Reconstruction and Parameter Estimation with SPTpol Data

Here, we perform the first simultaneous Bayesian parameter inference and optimal reconstruction of the gravitational lensing of the cosmic microwave background (CMB), using 100 deg 2 of polarization observations from the SPTpol receiver on the South Pole Telescope. These data reach noise levels as low as 5.8 μK arcmin in polarization, which are low enough that the typically used quadratic estimator (QE) technique for analyzing CMB lensing is significantly suboptimal. Conversely, the Bayesian procedure extracts all lensing information from the data and is optimal at any noise level. We infer the amplitude of the gravitational lensing potential to be ${A}_{\phi }=0.949\,\pm \,0.122$ using the Bayesian pipeline, consistent with our QE pipeline result, but with 17% smaller error bars. The Bayesian analysis also provides a simple way to account for systematic uncertainties, performing a similar job as frequentist "bias hardening" or linear bias correction, and reducing the systematic uncertainty on A Φ due to polarization calibration from almost half of the statistical error to effectively zero. Finally, we jointly constrain A Φ along with A L , the amplitude of lensing-like effects on the CMB power spectra, demonstrating that the Bayesian method can be used to easily infer parameters both from an optimal lensing reconstruction and from the delensed CMB, while exactly accounting for the correlation between the two. These results demonstrate the feasibility of the Bayesian approach on real data, and pave the way for future analysis of deep CMB polarization measurements with SPT-3G, Simons Observatory, and CMB-S4, where improvements relative to the QE can reach 1.5 times tighter constraints on A Φ and seven times lower effective lensing reconstruction noise.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Exploring the role of electronic structure on photo-catalytic behavior of carbon-nitride polymorphs

A fully self-consistent density-functional theory (DFT) with improved functionals is used herein to provide a comprehensive account of structural, electronic, and optical properties of C 3 N 4 polymorphs. Using our recently developed van Leeuwen-Baerends (vLB) corrected local-density approximation (LDA), we implemented LDA + vLB within full-potential N th -order muffin-tin orbital (FP-NMTO) method and show that it improves structural properties and band gaps compared to semi-local functionals (LDA/GGA). We demonstrate that the LDA + vLB predicts band-structure and work-function for well-studied 2D-graphene and bulk-Si in very good agreement with experiments, and more exact hybrid functional (HSE) calculations as implemented in the Quantum-Espresso (QE) package. The structural and electronic-structure (band gap) properties of C 3 N 4 polymorphs calculated using FP-NMTO-LDA + vLB is compared with more sophisticated hybrid-functional calculations. We also perform detailed investigation of photocatalytic behavior using QE-HSE method of C 3 N 4 polymorphs through work-function, band (valence and conduction) position with respect to water reduction and oxidation potential. Our results show $γ$-C 3 N 4 as the best candidate for photocatalysis among all the C 3 N 4 polymorphs but it is dynamically unstable at ‘zero’ pressure. We show that $γ$-C 3 N 4 can be stabilized under hydrostatic-pressure, which improves its photocatalytic behavior relative to water reduction and oxidation potentials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Evaluation of the absolute single-photon detection efficiency of HRPPD

Pixelated High Rate Picosecond Photon Detectors (HRPPDs) by Incom Inc. are promising photosensors for use in Ring Imaging CHerenkov (RICH) detectors, where a high gain, sub-mm position resolution and sub-100ps timing resolution are required in a single photon mode. Quantum Efficiency (QE) has been measured for the first batch of EIC HRPPDs both by Incom and EIC research groups at Jefferson Lab and Brookhaven Lab, with peak values at ∼365 nm typically exceeding 30%. Furthermore, in this study, we present a first direct measurement of Photon Detection Efficiency being equal to (17.1 ± 0.1 [stat] ± 0.3 [sys])% at 398.6 nm, for a pixel near the center of HRPPD, in a photoelectron pulse counting mode using a picosecond diode laser. HRPPD QE at the same spot and at the same wavelength was evaluated to be (24.4 ± 0.1 [stat] ± 0.3 [sys])%, leading to a Collection Efficiency estimate of (70.3 ± 1.6)%, which is consistent with the expectations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

The Kinetics of Electron Transfer from CdS Nanorods to the MoFe Protein of Nitrogenase

Combining the remarkable catalytic properties of redox enzymes with highly tunable light absorbing properties of semiconductor nanocrystals enables the light-driven catalysis of complex, multielectron redox reactions. This work focuses on systems that combine CdS nanorods (NRs) with the MoFe protein of nitrogenase to drive photochemical N 2 reduction. We used transient absorption spectroscopy (TAS) to examine the kinetics of electron transfer (ET) from CdS NRs to the MoFe protein. For CdS NRs with dimensions similar to those previously used for photochemical N 2 reduction, the rate constant for ET from CdS NRs competes with other electron relaxation processes, such that when a MoFe protein is bound to a NR, about one-half of the photoexcited electrons are delivered to the enzyme. The NR-MoFe protein binding is incomplete with more than one-half of the NRs in solution not having a MoFe protein bound to accept electrons. The quantum efficiency of ET (QE ET ) in these ensemble samples is similar to previously reported efficiencies of product (NH 3 and H 2 ) formation, suggesting that the enzyme utilizes the delivered electrons without major loss pathways. Our analysis suggests that QE ET , and therefore the photochemical product formation, is limited at the ensemble level by the NR-MoFe protein binding and at the single-complex level by the competitiveness of ET. We characterized ET kinetics for several CdS NRs samples with varying dimensions and found that for CdS NRs with an average diameter of 4.2 nm the ET efficiency dropped to undetectable levels, defining a maximum NR diameter that should be used to photochemically drive the MoFe protein. The work described here provides insights into the design of systems with increased control of photochemical N 2 reduction catalyzed by the MoFe protein of nitrogenase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Long lifetime of bialkali photocathodes operating in high gradient superconducting radio frequency gun

Abstract High brightness, high charge electron beams are critical for a number of advanced accelerator applications. The initial emittance of the electron beam, which is determined by the mean transverse energy (MTE) and laser spot size, is one of the most important parameters determining the beam quality. The bialkali photocathodes illuminated by a visible laser have the advantages of high quantum efficiency (QE) and low MTE. Furthermore, Superconducting Radio Frequency (SRF) guns can operate in the continuous wave (CW) mode at high accelerating gradients, e.g. with significant reduction of the laser spot size at the photocathode. Combining the bialkali photocathode with the SRF gun enables generation of high charge, high brightness, and possibly high average current electron beams. However, integrating the high QE semiconductor photocathode into the SRF guns has been challenging. In this article, we report on the development of bialkali photocathodes for successful operation in the SRF gun with months-long lifetime while delivering CW beams with nano-coulomb charge per bunch. This achievement opens a new era for high charge, high brightness CW electron beams.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Second-harmonic generation in nonlinear plasmonic lattices enhanced by quantum emitter gain medium

In this work, we report on a theoretical study of second-harmonic generation (SHG) in plasmonic nanostructures interacting with two-level quantum emitters (QEs) under incoherent energy pump. We generalize the driven-dissipative Tavis–Cummings model by introducing the anharmonic surface plasmon-polariton (SPP) mode coupled to QEs and examine physical properties of corresponding SPP-QE polariton states. Our calculations of the SHG efficiency for strong QE-SPP coupling demonstrate orders of magnitude enhancement facilitated by the polariton gain. We further discuss time-domain numerical simulations of SHG in a square lattice comprising Ag nanopillars coupled to QEs utilizing a fully vectorial nonperturbative nonlinear hydrodynamic model for conduction electrons coupled to Maxwell–Bloch equations for QEs. The simulations support the idea of gain enhanced SHG and show orders of magnitude increase in the SHG efficiency as the QEs are tuned in resonance with the lattice plasmon mode and brought above the population inversion threshold by incoherent pumping. By varying pump frequency and tuning QEs to a localized plasmon mode, we demonstrate further enhancement of the SHG efficiency facilitated by strong local electric fields. The incident light polarization dependence of the SHG is examined and related to the symmetries of participating plasmon modes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Physically and chemically smooth cesium-antimonide photocathodes on single crystal strontium titanate substrates

The performance of x-ray free electron lasers and ultrafast electron diffraction experiments is largely dependent on the brightness of electron sources from photoinjectors. Here, the maximum brightness from photoinjectors at a particular accelerating gradient is limited by the mean transverse energy (MTE) of electrons emitted from photocathodes. For high quantum efficiency (QE) cathodes like alkali-antimonide thin films, which are essential to mitigate the effects of non-linear photoemission on MTE, the smallest possible MTE and, hence, the highest possible brightness are limited by the nanoscale surface roughness and chemical inhomogeneity. In this work, we show that high QE Cs 3 Sb films grown on lattice-matched strontium titanate (STO) substrates have a factor of 4 smoother, chemically uniform surfaces compared to those traditionally grown on disordered Si surfaces. We perform simulations to calculate roughness induced MTE based on measured topographical and surface-potential variations on the Cs 3 Sb films grown on STO and show that these variations are small enough to have no consequential impact on the MTE and, hence, the brightness.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Model of photoemission and framework for relating quantum efficiency to stoichiometry

Simulating the quantum efficiency (QE) from photocathodes used in accelerators and photoinjectors requires accounting for the properties of the photoemissive material, the optical properties, scattering coefficients, and doping concentrations of which are dependent upon the stoichiometry. We present a rapid and flexible optical model that can be used to investigate the consequences of changes in the dielectric properties and their impact on the QE through such factors as reflectivity and laser penetration depth. Differences in materials can then be characterized by changes to parameters used to evaluate the dielectric function in a Lorentz–Drude–Resonant model. A method to characterize data is motivated by the example of copper and vetted by application to an exact analytical model. The effects of changes in parameters describing the resonant terms, which aggregate in the visible and UV regions of the spectrum, are shown.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Single layer graphene protective layer on GaAs photocathodes for spin-polarized electron source

GaAs-based photocathodes are the primary choice for polarized electron sources, commonly used in polarized electron microscopes and polarized positron sources. GaAs photocathodes are typically activated with cesium and oxygen, which are highly reactive and require an ultra-high vacuum (⁠~ 10 -11 Torr or lower) to operate reliably, resulting in substantial operational difficulties. A short exposure to a mediocre vacuum results in an instantaneous loss of cathode quantum efficiency (QE) due to the chemical reaction of the active layer with residual gas molecules or back-bombardment ions during operation. Covering the GaAs cathode with a 2D material, such as monolayer graphene, could provide protection against such damage due to the inhibition of chemical reactions with residual gas molecules. In this paper, we have incorporated a method known as intercalation to pass the active material underneath the graphene and activate the superlattice GaAs/GaAsP (SL-GaAs) photocathode. X-ray photoelectron spectroscopy, low-energy electron microscopy, and Mott scattering measurements were performed to evaluate the formation of the photocathode under graphene, as well as its spectral response and electron spin polarization. Our results demonstrate that the successful activation of the SL-GaAs photocathode with a graphene protection layer is achieved with a moderate QE. Furthermore, we found that the electron spin polarization of the cathode with a surface protection layer is higher than the conventional cathode without a protection layer.

2D materials↗
DOE OSTI2024

Chlorophyll to zeaxanthin energy transfer in nonphotochemical quenching: An exciton annihilation-free transient absorption study

Zeaxanthin (Zea) is a key component in the energy-dependent, rapidly reversible, nonphotochemical quenching process (qE) that regulates photosynthetic light harvesting. Previous transient absorption (TA) studies suggested that Zea can participate in direct quenching via chlorophyll (Chl) to Zea energy transfer. However, the contamination of intrinsic exciton–exciton annihilation (EEA) makes the assignment of TA signal ambiguous. In this study, we present EEA-free TA data using Nicotiana benthamiana thylakoid membranes, including the wild type and three NPQ mutants (npq1, npq4, and lut2) generated by CRISPR/Cas9 mutagenesis. The results show a strong correlation between excitation energy transfer from excited Chl Q y to Zea S 1 and the xanthophyll cycle during qE activation. Notably, a Lut S 1 signal is absent in the npq1 thylakoids which lack zeaxanthin. Additionally, the fifth-order response analysis shows a reduction in the exciton diffusion length (L D ) from 62 ± 6 nm to 43 ± 3 nm under high light illumination, consistent with the reduced range of exciton motion being a key aspect of plants’ response to excess light.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Real-world CMB lensing quadratic estimator power spectrum response

I describe a method to estimate response matrices of Cosmic Microwave Background (CMB) lensing power spectra estimators to the true sky power under realistic conditions. Applicable to all lensing reconstruction pipelines based on quadratic estimators (QE), it uses a small number of Gaussian CMB Monte-Carlos and specially designed QE's in order to obtain sufficiently accurate matrices with little computational effort. This method may be used to improve the modelling of CMB lensing band-powers by incorporating at least some of the non-idealities encountered in CMB lensing reconstruction. These non-idealities always include masking, and often inhomogeneous filtering, either in the harmonic domain or pixel space. I obtain these matrices for Planck latest lensing reconstructions, and then show that the residual couplings induced by masking explain very well the residual multiplicative bias seen on the Planck simulations, removing the need for an empirical correction.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

New understanding of inter-ELM pedestal turbulence, transport, and gradient behavior in the DIII-D tokamak

New observations of pedestal localized turbulence in the inter-ELM period of H-mode plasmas in DIII-D show that ion temperature gradient mode scale (ITG-scale) density fluctuation (ñ) increases immediately after each ELM crash and is quickly suppressed during the increase in local E × B shear. This excitation and subsequent suppression of ITG-scale ñ can explain the previously reported anomalous ion heat flux, Qi during the ELM (Viezzer et al 2017 Nucl. Fusion 57 022020). Shorter wavelength trapped electron mode scale (TEM-scale) ñ starts to increase at a critical pedestal temperature gradient (∇Te,ped) and saturates as local E × B shear, ${T}_{\mathrm{i}}^{\mathrm{C}\mathrm{6}+}/{T}_{\mathrm{e}}$ ratio, and ∇Te,ped saturate. This TEM-scale ñ, which has the potential to cause electron (and also ion) heat transport, is consistent with driving an anomalous electron heat flux Qe, where Qe is estimated between ELMs using experimental profiles and power balance. Both ITG- and TEM-scale ñ amplitude variations with background Ti/Te and ∇ne,ped are found to be consistent with theoretical predictions of these measured density fluctuations being ITG and TEM instabilities respectively. Furthermore, these new and unique observations on the nature of turbulence and their potential contributions to electron and ion heat fluxes at different ELM periods (i.e. collapse, recovery, and saturation phases of pedestal gradients) can significantly test and improve our pedestal predictive capabilities for ITER and other future fusion devices.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Emission properties of a hybrid metallized diamond(001) photocathode

The spectral emission characteristics of a proof-of-concept hybrid metallized diamond(001) photocathode are presented. The quantum efficiency (QE) is shown to be determined by the photoinjection efficiency across the ohmic contact at the back metallized face, whereas the mean transverse energy (MTE) of the photoemitted electrons is consistent with an (optical)phonon-assisted and momentum-resonant Franck-Condon mechanism [Franck-Condon electron emission from polar semiconductor photocathodes, Phys. Rev. Appl. 23, 054065 (2025)] following electron drift transport to the untreated diamond(001) front emission face. Emission is observed from both the lower and upper conduction bands of diamond with positive and negative electron affinity, respectively. A potential route to the realization of a red-visible photocathode based on this concept with a sub-50 meV MTE and a QE greater than 0.1% is discussed.

Density of states↗
DOE OSTI2023

Interfacing electron and neutrino quasielastic scattering cross sections with the spectral function in GENIE

Progress in neutrino-nucleus cross section models is being driven by the need for highly accurate predictions for the neutrino oscillation community. These sophisticated models are being developed within a microscopic description of the nucleus with the goal of encompassing all reaction modes relevant for the accelerator neutrino program. The disconnect between these microscopic models and the event generators that will be used in the next generation of experiments represents a critical obstacle that must be overcome in order to precisely measure the neutrino oscillation parameters. To this end we have developed a hadron tensor interface for lepton-nucleus quasielastic (QE) scattering within the GENIE event generator as a proof of principle, with the broader goal of creating an efficient pipeline for incorporating advanced theoretical models in event generators. As a demonstration of this interface we have implemented the spectral function model into GENIE by connecting theorist provided fortran code through the hadron tensor interface. The spectral function model offers a more complete description of the nuclear ground state, as well as the ability to provide quantifiable theoretical uncertainties. Finally, we validate this implementation and compare its predictions against data and against QE models already available in GENIE.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Probing Few-Body Nuclear Dynamics via H 3 and He 3 ( e , e ' p ) pn Cross-Section Measurements

Here, we report the first measurement of the (e, e' p) three-body breakup reaction cross sections in helium-3 ( 3 He) and tritium ( 3 H) at large momentum transfer ($\langle{Q^2}\rangle$ ≈ 1.9 (GeV/c) 2 ) and x B > 1 kinematics, where the cross section should be sensitive to quasielastic (QE) scattering from single nucleons. The data cover missing momenta 40 ≤ p miss ≤ 500 MeV/c that, in the QE limit with no rescattering, equals the initial momentum of the probed nucleon. The measured cross sections are compared with state-of-the-art ab-initio calculations. Overall good agreement, within ±20%, is observed between data and calculations for the full p miss range for 3 H and for 100 ≤ p miss ≤ 350 MeV/c for 3 He. Including the effects of rescattering of the outgoing nucleon improves agreement with the data at p miss > 250 MeV/c and suggests contributions from charge-exchange (SCX) rescattering. The isoscalar sum of 3 He plus 3 H, which is largely insensitive to SCX, is described by calculations to within the accuracy of the data over the entire pmiss range. This validates current models of the ground state of the three-nucleon system up to very high initial nucleon momenta of 500 MeV/c.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Ion-beam-assisted growth of cesium-antimonide photocathodes

We report on the novel use of a Cs+ ion gun for an ion-beam-assisted molecular-beam-epitaxy (IBA-MBE) method to sequentially deposit Cs-Sb cathodes on room temperature substrates as opposed to the standard technique of thermal evaporation on elevated-temperature substrates. The details of the ultrahigh-vacuum chamber, the Cs+ ion source, and the growth technique are elaborated. The final quantum efficiency (QE) is reasonably good for Cs-Sb cathodes grown on two different substrates—Si (100) and strontium titanate—and is comparable to the QE of cathodes grown using thermal sources. This suggests that IBA-MBE could be a viable alternative to grow alkali-antimonides without substrate heating, paving the way for the growth of epitaxial alkali-antimonides in a more reproducible fashion, which may help improve the efficiency of photon detectors and accelerator applications that use alkali-antimonides as electron sources.

Engineering↗
DOE OSTI2023

Quantum efficiency and lifetime study for negative electron affinity GaAs nanopillar array photocathode

Recent studies showed significant improvement in quantum efficiency (QE) by negative electron affinity (NEA) GaAs nanopillar array (NPA) photocathodes over their flat surface peers, particularly at 500 ─ 800 nm waveband. However, the underlying physics is yet to be well understood for further improvement in its performance. In this report, NEA GaAs NPA photocathodes with different dimensions were studied. The diameter of the nanopillars varied from 200 ─ 360 nm, the height varied from 230 ─ 1000 nm and the periodicity varied from 470 ─ 630 nm. The QE and photocathode lifetime were measured. Mie-resonance enhancement was observed at tunable resonance wavelengths. Simulations was also performed to understand the mechanism of photo-absorption and possible ways to further improve the photocathode performance to meet the stringent requirement of the electron sources in large scale electron accelerators. **Acknowledgement** Authored by Jefferson Science Associates, LLC under U.S. DOE contract no. DE-AC05-06OR23177. The U.S. Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce this manuscript for U.S. Government purposes. *mrahm008@odu.edu

Rahman, M.↗