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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Photoelectron spectroscopy of CsK2Sb photocathode at Synchrotron Radiation Facility using vacuum transport system

As accelerators and electron microscopes become more advanced, high-performance photocathodes are required. In particular, Cesium potassium antimonide (CsK 2 Sb) photocathode is of interest because of its low emittance, excitability in visible light, and high quantum efficiency (QE). The challenge is its high susceptibility to environment that lead to low operating vacuum pressure and short lifetime/low extraction charge. To resolve these issues, it is necessary to understand the molecular structure of the cathode and its degradation mechanism. In this study, we transported CsK 2 Sb photocathode to a beamline of synchrotron radiation facility using a vacuum transport system for molecular structure analysis. Specifically, the cathode was deposited in an evaporation system at Nagoya University. We transported it to Aichi Synchrotron Radiation Center (Aichi SR) located 15 km away, and analyzed it in the depth direction by X-ray photoelectron spectroscopy (XPS) at BL7U. Based on the results, we quantitatively evaluated the composition ratios and stoichiometry of the cathode elements (Sb, K, Cs). A Cs ex-cess state of surface was observed at the surface, and it is consistent with previous studies. The intended atomic structure of CsK 2 Sb was formed only at a few nanometres of the surface on the Mo substrate. On the other hand, the CsK 2 Sb cathode structure on the graphene substrate was preserved further in the depth direction.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Performance of Hamamatsu VUV4 SiPMs for detecting liquid argon scintillation

Detection of light signals is crucial to a wide range of particle detectors. In particular, efficient detection of vacuum ultraviolet (VUV) light will provide new opportunities for some novel detectors currently being developed, but is technically challenging. In this paper, we characterized the performance of Hamamatsu VUV4 silicon photomultipliers (SiPMs) for detecting VUV argon scintillation light without wavelength shifting. Using a customized cryogenic amplifier design, we operated two models of VUV4 SiPMs inside liquid argon and thoroughly examined their direct sensitivities to liquid argon scintillation. In addition to describing their cryogenic performance, we measured a photon detection efficiency of 14.7 +1.1 -2.4 % and 17.2 +1.6 -3.0 % at 128 nm for these two VUV4 models for operation at 4 V of overvoltage, with the main uncertainty arising from the SiPM reflectivity for VUV light.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Effect of Networking Density on the Patterning Performance of Molecular Layer Deposited Alucone Electron Beam/EUV Resists

One of the main barriers to continued device scaling in the era of extreme ultraviolet (EUV) lithography is the need for improved photoresist chemistries to address challenges such as poor EUV sensitivity, inadequate etch resistance, and pattern collapse. Metal-organic photoresists are a promising class of materials that can address many of these challenges, and among them, resists deposited via hybrid molecular layer deposition (MLD) have attracted interest for their unique advantages in thickness control, chemical homogeneity, and compatibility with vacuum processing. However, despite many successful demonstrations of patterning, little is known about how the molecular design of hybrid MLD resists affects their lithographic performance. In this work, we study the effect of the network structure, a common feature among all hybrid MLD resists, via a series of aluminum alkoxide ("alucone") negative tone resists with varying networking density. Their patterning mechanism is investigated via electron beam lithography (EBL)─a common proxy for EUV─and compared to their EUV-induced reactions studied via flood exposure and in situ characterization. In conclusion, we show that the resist with the least networking density demonstrates the best sensitivity and resolution, with the ability to resolve dense line/space gratings as small as 14 nm half pitch via EBL.

electron beam lithography↗
DOE OSTI2025

Unequal {110} Facets: The Potential Role of Intraparticle Heterogeneity and Facet Termination in Photoelectrochemical Activity of Single BiVO 4 Particles

BiVO 4 photoanodes are promising for solar water splitting, with photogenerated electrons and holes preferentially reacting at top {010} and lateral {110} facets, respectively. However, the mechanisms driving this facet-dependent reactivity remain unclear. Here, in this study, we investigate facet-dependent photocurrent and material heterogeneity using correlative scanning photoelectrochemical microscopy (SPCM), electron beam induced current (EBIC) mapping, and mid-IR scattering scanning near-field optical microscopy (s-SNOM). SPCM measurements of 62 BiVO 4 particles confirmed higher photocurrents at lateral {110} facets compared to top {010} facets, but unexpectedly revealed variations in photocurrent among lateral facets within the same particle. Variations in lateral facet surface termination could explain the intraparticle-level reactivity heterogeneity, consistent with theoretical predictions. Nano-FTIR spectroscopy and Raman microspectroscopy indicated significant materials chemistry heterogeneity within individual particles and facets that could be attributed to variations in lattice vibration distortions that enhance the overlap between Bi 6s and O 2p orbitals. The increased orbital overlap is significant as it potentially increases hole mobility in the valence band and potentially explains the lateral facet-dependent charge separation efficiency observed in photocurrent maps. Facet-dependent electrical and EBIC measurements showed no space charge regions at interfacet junctions or metal-BiVO 4 contacts under vacuum, suggesting that photogenerated holes beneath top {010} facets are unlikely to transport to lateral {110} facets to drive water/sulfite oxidation. These findings indicate the potential influence of distinct bulk properties and surface termination chemistries across different particles and facets, highlighting the importance of carefully controlling defects and surface chemistry during sample growth to optimize photocatalytic performance.

BiVO4↗
DOE OSTI2022

Stellarator coil optimization supporting multiple magnetic configurations

Abstract We present a technique that can be used to design stellarators with a high degree of experimental flexibility. For our purposes, flexibility is defined by the range of values the rotational transform can take on the magnetic axis of the vacuum field while maintaining satisfactory quasisymmetry. We show that accounting for configuration flexibility during the modular coil design improves flexibility beyond that attained by previous methods. Careful placement of planar control coils and the incorporation of an integrability objective enhance the quasisymmetry and nested flux surface volume of each configuration. We show that it is possible to achieve flexibility, quasisymmetry, and nested flux surface volume to reasonable degrees with a relatively simple coil set through an NCSX-like example. This example coil design is optimized to achieve three rotational transform targets and nested flux surface volumes in each magnetic configuration larger than the NCSX design plasma volume. Our work suggests that there is a tradeoff between flexibility, quasisymmetry, and volume of nested flux surfaces.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Machine Learning for Predicting Multipactor Susceptibility in Planar RF Structures

Multipactor discharge is a persistent challenge in high-power microwave (HPM) and accelerator systems, where secondary electron avalanches can cause heating, vacuum degradation, and failure. This work presents the first supervised machine learning (ML) framework for multipactor prediction, trained on high-fidelity 3D Particle-in-Cell (PIC) simulation data in planar geometries. The model maps operational, geometric, and material-dependent secondary electron yield (SEY) parameters to the time-averaged electron growth rate, enabling rapid reconstruction of susceptibility charts. Among the models evaluated, tree-based ensemble methods such as Random Forest and Extra Trees demonstrate superior generalization to unseen materials compared to neural networks such as multilayer perceptron (MLP). Performance metrics, including Intersection over Union (IoU), Structural Similarity Index Measure (SSIM), and Pearson correlation, show close agreement with simulation benchmarks. Principal Component Analysis attributes generalization limits to material feature-space disjointedness.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

The Effect of Slag Heat Treatment on Ingot Quality during Cold Start Electroslag Remelting

Heat treatments of a commercial 40CaF 2 –30CaO–30Al 2 O 3 slag are explored to study their effect on quality of ingots produced using cold start electroslag remelting (ESR). Reducing heat treatment (or roasting) time or temperature for slag degassing can lead to energy savings as well as longer lifetimes for various components. Heat treatments in vacuum with pressure monitoring and air are investigated along with several temperatures, heating rates, and/or holding times. A research scale ESR furnace is used with steel electrodes. Significant differences in ingot quality, such as the occurrence of pores and a rough sidewall near the bottom of the ingot produced using slag heat treated in air at 580 °C, are observed. Further, adjustments in the heat treatment temperature for heat treatment in air eventually lead to an ingot quality comparable to that obtained using slag degassing in a controlled atmosphere at higher temperatures. Using differential thermal analysis, it is found that moisture is primarily removed from the slag at ≈460 °C and 700 °C. A safe slag roasting temperature is concluded to be 750 °C. Improper slag heat treatment leads to hydrogen concentrations from 8 to 15 ppm in about one‐quarter of the ingot volume.

36 MATERIALS SCIENCE↗
DOE OSTI2020

MHD stability and disruptions in the SPARC tokamak

SPARC is being designed to operate with a normalized beta of $β_N$ = 1.0, a normalized density of $n_G$ = 0.37 and a safety factor of $q_{95}$ ≈ 3.4, providing a comfortable margin to their respective disruption limits. Further, a low beta poloidal $β_p$ = 0.19 at the safety factor $\textit{q}$ = 2 surface reduces the drive for neoclassical tearing modes, which together with a frozen-in classically stable current profile might allow access to a robustly tearing-free operating space. Although the inherent stability is expected to reduce the frequency of disruptions, the disruption loading is comparable to and in some cases higher than that of ITER. The machine is being designed to withstand the predicted unmitigated axisymmetric halo current forces up to 50 MN and similarly large loads from eddy currents forced to flow poloidally in the vacuum vessel. Runaway electron (RE) simulations using GO+CODE show high flattop-to-RE current conversions in the absence of seed losses, although NIMROD modelling predicts losses of ~80 %; self-consistent modelling is ongoing. A passive RE mitigation coil designed to drive stochastic RE losses is being considered and COMSOL modelling predicts peak normalized fields at the plasma of order 10 –2 that rises linearly with a change in the plasma current. Massive material injection is planned to reduce the disruption loading. A data-driven approach to predict an oncoming disruption and trigger mitigation is discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Modeling of plasma beta effects on the island divertor transport in the standard configuration of W7-X

The influence of plasma beta effects on the edge plasma transport in the Wendelstein 7-X standard configuration is studied systematically by using EMC3-EIRENE combined with a 3D equilibrium code named HINT. The magnetic topology changes induced by plasma beta effects are significantly reflected in plasma transport behaviors and heat flux patterns on divertor targets. After validating the modeling strategy by comparisons with experimental data, the extended simulations for high performance plasmas show that the threshold separatrix density for accessing the power detachment is reduced in higher beta plasmas. Compared with the vacuum field case, the impurity radiation distributions with finite beta effects are modified in the magnetic island region. The divertor heat flux is distributed more evenly along the toroidal direction on the strike line at the vertical target. The strike line on the horizontal target moves towards the pumping gap with an increase in the plasma beta. In addition, the different pressure profiles with the same central beta also result in a modified heat flux pattern on the divertor targets.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Investigations on the Origin of Topotactic Phase Transition of LaCoO 3 Thin Films with In Situ XRD and Ambient Pressure Hard X-ray Photoelectron Spectroscopy

With the applications of in situ X-ray diffraction (XRD), electrical I–V measurement, and ambient pressure hard X-ray photoelectron spectroscopy (AP-HAXPES), the characteristics of the topotactic phase transition of LaCoO 3 (LCO) thin films are examined. XRD measurements show clear evidence of structural phase transition (SPT) of the LCO thin films from the perovskite (PV) LaCoO 3 to the brownmillerite (BM) La 2 Co 2 O 5 phases through the intermediate La 3 Co 3 O 8 phase at a temperature of 350 °C under high-vacuum conditions, ~10 –5 mbar. The reverse SPT from BM to PV phases is also found under ambient pressure (>100 mbar) of air near 100 °C. Both observed SPTs in XRD are also identified in the electrical I–V measurements, i.e., the metallic PV phase to the insulating BM phase and vice versa. During the onset of SPTs, the bulk chemical and electronic states of LCO thin films are monitored with AP-HAXPES. The oxidation states in Co 2p spectra indicate that the oxygen vacancies are closely related to the SPT of LCO thin films. Also, the presence of enlarged band gap is observed as the SPT from PV to BM phases takes place, revealing the modified electronic properties of LCO due to the creation of oxygen vacancies. In conclusion, the analysis of valence band structures is further compared to the I–V measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2026

The interaction of acetonitrile with H-terminated and depassivated (100) diamond surfaces

Molecular adsorption on reactive semiconductor surfaces may enable novel surface functionalisation and atomically-precise dopant formation. In this work synchrotron-based x-ray photoelectron spectroscopy and near edge x-ray absorption spectroscopy are used to examine the interaction between acetonitrile and diamond (100) surfaces under ultrahigh vacuum (UHV) conditions. We observe two surface-bound nitrogen species on hydrogen terminated surfaces after thermal depassivation or following synchrotron radiation and subsequent exposure to acetonitrile, but find no evidence of nitrogen adsorption on the hydrogen-terminated diamond surface, at room temperature. Subsequent measurements explore the stability of the surface-bound nitrogen under various temperature conditions and with atmospheric exposure. While the nitrogen coverage achieved in this study is low, this study serves as a proof-of-concept demonstration of a UHV molecular dosing approach to selective nitrogen functionalisation of diamond surfaces as an alternative to plasma-based approaches. This development may be critical for proposed surface-based fabrication workflows using atomic placement of nitrogen-vacancy centres to create quantum devices.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Investigations of LHW-plasma coupling and current drive at high density related to H-mode experiments in EAST

Two important issues in achieving lower hybrid current drive (LHCD) high confinement plasma in EAST are to improve lower hybrid wave (LHW)-plasma coupling and to drive the plasma current at a high density. Studies in different configurations with different directions of toroidal magnetic field (Bt) show that the density near the antenna is affected by both the radial electric field induced by plasma without a LHW (Er-plasma) in the scrape off layer (SOL), and the radial electric field induced by LHW power (Er-LH) near the grill. Investigations indicate that Er× Btin the SOL leads to a different effect of configuration on the LHW-plasma coupling and Er-LH× Btaccounts for the asymmetric density behaviour in the SOL observed in the experiments, where Eris the total radial electric field in the SOL. Modelling of parametric instability (PI), collisional absorption (CA) and scattering from density fluctuations (SDF) in the edge region, performed considering the parameters of high density LHCD experiments in EAST, has shown that these mechanisms could be responsible for the low current drive (CD) efficiency at high density. Radiofrequency probe spectra, useful for documenting PI occurrence, show sidebands whose amplitude in the case of the lithiated vacuum chamber is smaller than in the case of poor lithiation, consistently with growth rates from PI modeling of the respective reference discharges. Since strong lithiation is also expected to diminish the parasitic effect on the LHCD of the remaining possible mechanisms, this appears to be a useful method for improving LHCD efficiency at a high density.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Photoelectron Spectroscopic Determination of the Interfacial Energetics of Metal Oxide Protection Layers on p-InP Photocathodes

The interfacial energetics between p-type InP and a series of metal oxides, including TiO 2 , Nb 2 O 5 , Ta 2 O 5 , and HfO 2 , were evaluated using X-ray photoelectron spectroscopy (XPS), ultraviolet photoelectron spectroscopy (UPS), and optical absorption spectroscopy. The energy of the conduction-band minimum ( E cb ) of TiO 2 and Nb 2 O 5 was more negative (i.e., further from the vacuum level) than the conduction-band minimum at the surface of InP ( E cb,s ), whereas E cb for Ta 2 O 5 and HfO 2 was more positive than E cb,s for InP. The data are consistent with the electrochemical behavior of p-InP coated with various metal oxide candidate protection layers, with TiO 2 and Nb 2 O 5 facilitating interfacial transfer of photogenerated minority-carrier electrons in p-InP photocathodes, and Ta 2 O 5 and HfO 2 blocking photogenerated electrons in p-InP from readily transferring across the oxide-coated photocathodes. The energy of the valence-band maximum ( E vb ) for all of the oxides was much more negative than E vb,s for InP, consistent with observations that these protection layers effectively block hole transport and consequently suppress oxidative degradation of the underlying p-InP photocathodes.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2022

Vacuum laser acceleration of super-ponderomotive electrons using relativistic transparency injection

Abstract Intense lasers can accelerate electrons to very high energy over a short distance. Such compact accelerators have several potential applications including fast ignition, high energy physics, and radiography. Among the various schemes of laser-based electron acceleration, vacuum laser acceleration has the merits of super-high acceleration gradient and great simplicity. Yet its realization has been difficult because injecting free electrons into the fast-oscillating laser field is not trivial. Here we demonstrate free-electron injection and subsequent vacuum laser acceleration of electrons up to 20 MeV using the relativistic transparency effect. When a high-contrast intense laser drives a thin solid foil, electrons from the dense opaque plasma are first accelerated to near-light speed by the standing laser wave in front of the solid foil and subsequently injected into the transmitted laser field as the opaque plasma becomes relativistically transparent. It is possible to further optimize the electron injection/acceleration by manipulating the laser polarization, incident angle, and temporal pulse shaping. Our result also sheds light on the fundamental relativistic transparency process, crucial for producing secondary particle and light sources.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Boundary condition effects on runaway electron mitigation coil modeling for the SPARC and DIII-D tokamaks

Abstract Extended-MHD modeling of planned Runaway Electron Mitigation Coils (REMC) for SPARC and DIII-D is performed with the NIMROD code. A coil has been designed for each machine, with the two differing in shape and location, but both having n = 1 symmetry (with n the toroidal mode number). Compared to previous modeling efforts, three improvements are made to the simulations boundary conditions. First a resistive wall model is used in place of an ideal wall. Second, the ThinCurr code is used to compute the time-dependent 3D fields used as magnetic boundary conditions for the simulations. Third, the simulation boundary is moved from the first-wall location to the Vacuum Vessel (VV), which extends the boundary past the location of the internal REMC. To remove the 3D coil from the simulation domain, an equivalent set of 3D fields is calculated at the VV boundary that produce approximately the same field distribution at the last closed flux surface assuming vacuum between the two. Each of these three boundary condition improvements leads to an improvement in the predicted performance of the REMC for both machines. The resistive wall alone primarily effects the resonance of the coil with the plasma after the TQ, affecting the q-profile evolution in the SPARC modeling, and allowing the applied spectrum to be modified in response to the plasma in the DIII-D modeling. The movement of the simulation boundary has the most significant effect on the RE confinement overall, including in the early stages, particularly for a DIII-D inner wall limited equilibrium, where the RE loss fraction increases from 90% to > 99%, with SPARC RE losses also occurring much earlier when the boundary is placed at the VV.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

The deconstruction of flavor in the privately democratic Higgs sector

The Standard Model (SM) of particle physics fails to explain the observed hierarchy in fermion masses or the origin of fermion-flavor structure. We construct a model to explain these observations in the quark sector. We introduce a spectrum of new particles consisting of six of each — massive singlet vector-like quarks (VLQs), singlet scalars, and SU(2)-doublet scalars. SM quark masses are generated when the neutral components of the SU(2)-doublet scalars acquire non-zero vacuum expectation values (VEVs). We impose global symmetries to ensure that Yukawa couplings stay roughly flavor diagonal and democratic (of the same order), as well as to suppress tree-level flavor-changing neutral currents. Quark-mass hierarchy then follows from a hierarchy in scalar VEVs. The singlet scalars also acquire weak-scale VEVs. Together with the VLQs, they act as messengers between different generations of quarks in the SM. These messenger particles are responsible for generating the elements of the Cabibbo-Kobayashi-Masakawa (CKM) matrix which depend on the ratios of the singlet VEVs and VLQ masses. Constructed this way, the CKM matrix is found to be independent of the SM fermion masses. Using the measured values of the CKM matrix elements and assuming order-one couplings, we derive constraints on the masses of the VLQs and discuss prospects for probing our model in the near future.

CKM Parameters↗
DOE OSTI2023

Progress towards the FRIB-EDM 3 -Frontend: A tool to provide radioactive molecules from isotope harvesting for fundamental symmetry studies

The under-construction FRIB-EDM 3 -instrument was designed to study polar radioactive molecules (such as RaF) in transparent cryogenic solids by laser spectroscopy. The instrument is divided into a frontend- and a backend section. The frontend accepts an aqueous sample from isotope harvesting and provides a mass-separated molecular ion beam in an ultra-high vacuum environment. In the backend, the ions are guided into alkali-metal vapor and the resulting neutrals are co-deposited in a solid argon matrix to perform laser spectroscopy. Here, this work addresses the frontend of the instrument. The efficient ionization of harvested radioisotopes from aqueous samples is achieved with a spray-ionization method. Subsequently, the molecular ion beam is analyzed by mass-to-charge ratio by a quadrupole mass filter. To verify the feasibility of the approach, numerical simulations with the COMSOL and SIMION packages have been conducted. While the former was applied to study transport in ion funnels, the latter was used to investigate ion beam transmission through the lower pressure sections. Following promising simulation results, a first experimental setup is under construction.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Chapter 13: Time-of-Flight Secondary-Ion Mass Spectrometry and Atom Probe Tomography

Time-of-flight secondary-ion mass spectrometry (TOF-SIMS) and atom probe tomography (APT) have many similarities. Both detect the chemical makeup of a solid material at ppm or better sensitivity, while retaining the spatial location information from the signal. Both use a similar principle to measure a signal associated with a given charged secondary ion—the flight time it takes a secondary ion to reach the detector after it is generated. Both are destructive techniques—albeit destructive of very small volumes—because the signal measured is generated by the removal of material from the sample itself. Importantly, both techniques require ultra-high vacuum (UHV) to ensure that the secondary ions, once generated, can reach the detector without collision with other atoms in the gas phase. In the case of TOF-SIMS, the samples can vary from several mm to several inches in size, whereas for APT, the samples are cones several hundred microns in size that are prepared in a special manner (covered in detail later in the chapter). We will discuss the basic fundamentals of each technique and cover several examples of the technique applied to photovoltaic materials, which should give a good idea of the types of information one can gain from TOF-SIMS and APT and how they are complementary as they both operate at different length scales: at the hundreds of microns to hundreds of nanometer scale for TOF-SIMS and at the nanometer to a few angstroms scale for APT.

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