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Novel Approach to Front Contact Passivation for CdTe Photovoltaics

The goal of this project was to study the use of sputter-deposited oxide materials for interface passivation of CdTe-based photovoltaics. Several candidate materials were chosen based on their promise in passivating the CdTe and CdSeTe semiconductor interface, chemical and thermal stability to device processing, and ability to be deposited by sputter deposition.

14 SOLAR ENERGY↗

High Efficiency, Inexpensive Thin Film III-V Photovoltaics using Single-Crystalline-Like, Flexible Substrates

An innovative, non-mainstream approach has been developed to fabricate inexpensive GaAs solar cells directly on epi-ready flexible metal substrates. Using templates made by ion beam assisted deposition (IBAD) and epitaxial germanium films made by Plasma Enhanced Chemical Vapor Deposition (PECVD), epitaxial GaAs films with high opto-electronic and structural quality have been grown on metal substrates using metal organic chemical vapor deposition (MOCVD). Crystallographic out-of-plane and in-plane texture spread less than 1 degree full-width-at-half-maximum (FWHM) was achieved in undoped, n-type and p-type GaAs films as well as in AlGaAs films on metal substrates. Electron mobility of >1300 cm 2 /V-s was attained in GaAs:Si n-type films. Also, hole mobility of >100 cm 2 /V-s was measured in GaAs:Zn films. Consistent doping was obtained in GaAs:Si (10 15 -10 18 cm -3 ), and GaAs:Zn films (10 17 -10 19 cm -3 ), necessary for the active device layers of a GaAs solar cell. Defect reduction techniques (thermal cycling, superlattice structures) were implemented to reduce defect density in GaAs films from 1 × 10 9 cm -2 to 9 × 10 7 cm -2 . Lifetime of 2.3 ns was obtained in AlGaAs/GaAs double-heterostructure device. Solar cells were fabricated based on designs using 1-dimensional and 2-dimensional simulations tailored to the specific properties of the GaAs films on metal substrates. All device fabrication processes (lithography, anti-reflection coating (ARC), device isolation and mesa formation and ohmic metal electrode formation) suitable for III-V solar cell fabrication on metal substrates were fully developed. A bi-layered ARC using ZnS and MgF 2 was used to minimize the reflection over wide range of spectrum. When this ARC was applied after removal of the parasitic absorption layer, the conversion efficiencies were improved up to 11.1% with V oc = ~0.621 V, J sc = ~24.5 mA/cm 2 , and FF = ~0.735. Yet another accomplishment in this project was the development of all electrically-conducting architecture for GaAs solar cells on metal substrates. Biaxial-texture was successfully achieved in all electrically-conducting buffer layer on metal substrate in structure based on IBAD TiN instead of IBAD MgO. The all electrically-conducting Ge/NiSi 2 /TiN/IBAD-TiN/Hastelloy substrate was used to fabricate back contacts for vertically conducting solar cell structures on metal substrates. A metallic resistivity as low as 4.17 μΩ•cm was obtained. A significant improvement of the texture of the Ge template was achieved using a Ag buffer layer between the TiN films. Epitaxial GaAs was successfully grown on the all-electrically-conducting buffer architecture. A Liquid Phase Epitaxy (LPE) method to drastically increase grain size of epitaxial Ge while maintaining the single-crystalline-like texture. Grain size up to 35 µm was achieved in LPE Ge grown on sputtered Ge with a grain size of ~ 1 µm on IBAD template on metal substrate. Epitaxial GaAs was grown on LPE Ge, with an out-of-plane texture of 0.34° compared to 0.98° in GaAs grown on sputter deposited Ge. A model was developed to simulate the effect of grain boundaries as a function of grain size of GaAs films on metal substrates. This model showed that even the very low angle grain boundaries (<1º misorientation) of our GaAs films led to decrease in Voc. Hydrogen plasma passivation treatment is being developed to improve open circuit voltage and the conversion efficiency of GaAs solar cells on flexible substrate.

14 SOLAR ENERGY↗

MagMicro with Ultra-High Energy Resolution (FY19 Q3 Progress Report)

The fabrication of the MMC detector arrays involves two photolithographic procedures. The first is to fabricate the Nb magnetization coil and pick-up coils, the SQUID preamplifiers and the associated wiring. This is done on a full 4” Si wafer, which is subsequently diced into ~0.5 cm2 SQUID chips and ~1 cm2 detector chips. The detector chips are then processed separately by depositing and patterning the paramagnetic Ag:Er sensor and support structures and then electroplating the Au absorber. In Q3, we have successfully completed the full wafer processing for the 32-pixel MMC detector arrays, diced the 4” wafer into the smaller chips and tested the individual components. The coils have the required critical current, the heat switches have a critical temperature in the desired range, and the SQUIDs have the required low noise. Unfortunately, the sputter deposition of the paramagnetic Ag:Er sensor failed several times. We spent considerable time to trace the problem to contaminations of the purifier for the Ar sputtering gas that had been exposed to atmosphere for an extended time during an earlier clean room upgrade. We then determined that the purifier is not essential for high-quality Ag:Er sensor films (Fig. 1), and successfully deposited the Ag:Er sensor film on the ~1 cm 2 detector chip.

42 ENGINEERING↗

Plutonium Dedicated Surface Probe Microscopy Capability

An atomic force microscope (AFM) equipped with gas dosing capabilities and a scanning tunneling microscope (STM) housed within a vacuum chamber with Pu sputtering capabilities and the potential for rapid heating via electron bombardment have been devised for investigations of Pu surface aging (such as oxidation, corrosion, and self-irradiation damage), reactivity, and rapid heating. These instruments are capable of probing Pu surface areas ranging from a fractions of nm2 (STM) to hundreds of μm2 (AFM) to obtain three dimensional imaging of surface microstructure and morphology, as well as mapping of the local electronic structure (i.e., the occupied and unoccupied electronic states), surface chemical, and mechanical properties. A detailed description of our surface probe microscopy (SPM) capability, specifically designed for handling of Pu coupons is given in the references. In FY20, four tasks have been undertaken: Resumed maintenance of Pu AFM and modification of STM capabilities including calibration, annual measurement of Pu surface, and implementation of additional instrumentation for rapid heating effort; Analyzed AFM FY19 gas dosing experiment data of 7 at% gallium-stabilized δ-phase Pu (δ-Pu) coupon; Determined the direction of future gas dosing experiments to investigate reversibility of surface features; and, Published a paper titled "Effects of ion sputtering on plutonium surfaces" in the Journal of Nuclear Materials.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Summary of 2020 edge-plasma modeling for FNSFand plans for 2021

This year, following the study of liquid-wall options, our edge-plasma modeling has returned to analyzing issues associated with a solid tungsten-wall, Fusion Nuclear Science Facility (FNSF)-size device, primarily using the 2D UEDGE plasma/neutral transport code. The focus is to predict plasma/neutral heat and particle fluxes to various wall components and determine the concentration of injected and wall-sputtered impurities that reach the core plasma region. Our models have been advanced in a number of areas compared to the initial modeling done in the 2017 timeframe: this year we include each individual charge-state of impurity ions instead of assuming a fixed concentration of impurities relative to the deuterium-tritium (DT) fuel plasma, including the interaction between inner and outer divertor legs. Here edge fueling of the impurity and pumping in the private-flux region is incorporated. Increasingly detailed atomic-physics rate files for impurity radiation have been compared, as well as the role of molecules. The impact of spatial variation of the turbulence-driven radial plasma transport is considered to contribute to the understanding of the heat-flux-limit effects of choosing a double-null or single-null divertor configuration. Detailed plasma/neutral wall fluxes, densities, and temperatures have been provided to the ERO group for their more detailed studies of wall sputtering and near-surface impurity transport.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Improved Performance of Cu(InGa)(SeS) 2 PV Modules Using the Reaction of Metal Precursors. Final Report

This project “Improved Performance of Cu(InGa)(SeS) 2 PV Modules using the Reaction of Metal Precursors” was a partnership led by the Institute of Energy Conversion (IEC) at the University of Delaware with Columbia University and the Molecular Foundry at the Lawrence Berkeley National Laboratory. The aim was to develop pathways to improve Cu(InGa)(SeS) 2 (CIGSS) thin film photovoltaic modules using processes compatible with low manufacturing cost. The CIGSS approach investigated was a two-step process including deposition of metal precursor films following by reaction in hydride gases utilizing IEC’s novel reactor. The process was similar to that under commercial development by the project’s industry partner Stion. When Stion went out of business mid-project the focus changed to a rapid thermal process considered more commercially viable. Approaches to improve the performance of solar cells using the reacted films focused on two material innovations. First, the overall Ga content was increased to increase the operating voltage, which is desirable for scale-up to commercial modules. Second, the processing and performance advantages arising from Ag alloying were investigated. Advanced characterization guided process and material development including control of relative composition gradients. Research on the formation of Cu-Ga-In metal precursors utilized sputtering deposition which is normally used in commercial applications. The work resulted in processes for deposition of precursor stacks with increased relative Ga content and effects of deposition parameters on morphology and phase composition were established. It was shown that the metal precursor films have comparable phase composition and morphology so subsequent reaction follows from the same starting point. The addition of Ag to the metal precursors gave more uniform morphology and improved adhesion of reacted films which enable higher reaction temperature for faster processing. A novel outcome was the discovery of a previously undocumented material phase in sputter-deposited and evaporated Ag-Cu-In-Ga thin films. Hydride gas reaction processes including time-temperature-concentration profiles were developed for different precursor compositions. This enables control of composition profiles to engineer through-film gradients for solar cell optimization with characterization and simulations used to correlate measured film composition profiles to measurements of devices. In particular, the gradient of sulfur at the front of the CIGSS film was found to be critical. The simulations guided process development leading to improved reproducibility of devices improved performance with higher Ga content and higher voltage. With Ag-alloyed precursors, the reaction pathways leading were determined. A significant finding was that Ag-alloying increases the reaction rate to completely convert precursor films to the final chalcopyrite which could enable reduced reaction time to benefit manufacturability. To maintain potential commercial viability, the process under investigation was refocused to a rapid thermal process that could potentially be incorporated into an in-line process for manufacturing. Precursors with different composition were capped with an extra selenium layer and reacted in hydrogen sulfide 5-15 minutes, compared to typically 2 hours in the previous multi-step batch process. Critical RTP parameters were identified to control the reaction. Further optimization would be needed for high efficiency solar cells but pathways to high quality devices with further optimization and improved heating uniformity were developed. The project also developed new optoelectronic characterization approaches with a focus on development and application of spatial- and time-resolved photoluminescence and a custom mapping photoluminescence microscope built. It was shown how critical electronic transport properties strongly depend on the chemical composition of the material and that a wide range of samples show inhomogeneity on a length scale larger than the grains in the films. Additionally, two-photon excitation capability was developed to distinguish bulk vs surface losses. The project advances the state-of-the -art for precursor reaction processes in several ways that could impact manufacturing. This includes validation of approaches to increase voltage and establishment of model-guided control to form optimal composition profiles. The application of process control approaches with knowledge of phase formation and reaction pathways can be critically valuable in designing a large-scale process.

14 SOLAR ENERGY↗

Synthetic Metal Atomic Layer Deposition Tool (Final Report)

As part of the Cyclotron Road program, Laminera Inc. worked towards development of atomic layer deposition process customizations and tool modifications to produce synthetic metal films at commercial scale and improve the film quality. Today's state-of-the-art in atomic layer deposited synthetic metal technology is only possible at a research-scale because current tools have practical limitations for scaling industrially and generating high conductivity films. Ultrathin, conformal synthetic metal films have many possible applications such as high surface area nanoporous electrodes for supercapacitors and water desalination devices; protective electrode coatings for electrochemical devices; seed layers for semiconductor device fabrication; or metallic component stabilizing coatings that enable enhanced storage density in next generation hard disk drives. The best synthetic metal conductive and plasmonic properties have been demonstrated using sputtering, which relies on high temperature sputtering with substrate dependent and directional growth limiting usage. This work explored refining process and tool modifications to create ultrathin, conformal, synthetic metal films that can be deposited with high quality over complex three-dimensional surfaces.

36 MATERIALS SCIENCE↗

Dust Formation and Destruction in Core Collapse Supernovae Explosions [Dissertation]

Dust is a crucial component of the Interstellar Medium (ISM) and an important driver in many astrophysical processes. Dust formed from evolved stars increases the metallicity of the ISM, enriching it with heavier elements. Dust makes up the source material of collapsing clouds in the ISM leading to stellar and galactic formation. The stabilization of these systems are aided by dust through absorption and scattering of excess energy. As stellar systems evolve and undergo supernova and mass loss events, enriched dust is produced, further enhancing the metallicity of the ISM. However, despite the importance of dust, the processes that produce dust are not well understood. Core-Collapse Supernovae are one source of dust. Dying massive stars explode, sending their constituent material into the Interstellar Medium, which as the ejecta expands and cools, material condenses and nucleates forming dust grains. I investigate the formation, survivability, and properties of dust. In Chapter 2, dust grain nucleation in CCSNe is discussed. A revised formulation of Kinetic Nucleation Theory (KNT) is used to track the nucleation and growth of dust grains in the ejecta. The affects of the progenitor system on the amount and type of dust is explored, showing a strong dependence on explosion energy. I discuss the code and methods used to model dust nucleation and destruction in Chapter 3. The sputtering and erosion of dust grains in CCSNe shocks are explored in Chapter 4. The erosion and survival of this nucleated dust is modeled through thermal and non-thermal sputtering by the surrounding gas and shocks. The optical properties and scattering of light by surviving dust grains is modeled by Mie scattering in Chapter 5. A discussion of observations of dust in variable star systems and supernovae is outlined in Chapter 6.

79 ASTRONOMY AND ASTROPHYSICS↗

Elucidating the mechanical and thermal response of nanotwinned Ni alloys

Transformative advances in nanoscale materials synthesis, characterization and modeling are enabling the synthesis of materials with unprecedent properties and greater understanding of the nanoscale mechanisms that underpin these properties. Nanotwinned Cu alloys have received considerable attention due to their impressive balance of strength and ductility, but they have limited microstructural stability. Recent instantiation of nanotwins in sputter deposited Ni-Mo-W, and several commercial Ni-based superalloys, point to the potential development of a new class of high temperature materials with a very beneficial suite of mechanical and physical properties. The experimental study described in this report was undertaken to elucidate the nanoscale origins of the thermal and mechanical behavior of nanotwinned Ni alloys. Micropillar compression experiments have shown nanotwinned Ni 85 Mo 15-x W x alloys to possess unusually high strengths above 3.5GPa and enhanced microstructural stability. The strength of these nanotwinned alloys is determined by the abrupt formation of shear bands. This study focused on identifying the nanoscale trigger, or triggers, for shear banding in nanotwinned materials using in situ experiments and atomic-scale postmortem analysis. Contrasting and comparing the mechanical response and postmortem nanostructures of “Mo-rich” and “W-rich” nanotwinned specimens elucidated the importance of the lateral motion of easy glide defects that results in erasure of twins and local coarsening of the nanotwinned microstructure. This twin coarsening was then associated with very localized plasticity, strain softening, and shear band formation. The difference between alloys was further studied by considering the role of various material factors: stacking fault energy, coherent twin boundary spacing and flatness, grain size, and the interactions of solute atoms with twin and grain boundaries. The effect of alloy composition and sputtering power and temperature were also investigated and used to control twin spacing and geometry. Combined with atomic-scale simulations, these experiments insights should allow us to identify strategies for achieving concomitant ultrahigh strength and ductility in nanotwinned Ni alloys. In parallel but synergistic studies, our work was buoyed by collaborative state-of-the-art nanoscale orientation and strain mapping at the DOE National Center for Electron Microscopy (NCEM). For example, novel 4D-STEM techniques were used to acquire nanoscale strain maps. The extremely fine twin spacing limited our measurements of atomic-scale thermal expansion within twins, but recent results from NCEM suggest that it will soon be possible to conduct such measurements and to unravel the origins of the novel thermal expansion characteristics of nanotwinned Ni alloys.

36 MATERIALS SCIENCE↗

On the Life Expectancy of High-Power CW magnetrons for Superconducting Accelerators*

Utilization of the high-power CW magnetrons as RF sources in SRF accelerators was proposed in a number of works, e.g., [1, 2]. But typically, the CW high-power magnetrons are designed as RF sources for industrial heating, and the lifetime of the tubes is not the first priority as it is required for high-energy accelerators. The high-power CW magnetrons use cathodes made of pure tungsten. The emission properties of the tungsten cathodes are not deteriorated much by electron and ion bombardment, but the latter causes sputtering of the cathode in the magnetron crossed fields. The sputtered cathode material covers the magnetron interior. That leads to sparks and discharges in a magnetron limiting its lifetime. Thus, the life expectancy estimates are highly important for application of CW magnetrons in SRF accelerator projects.

43 PARTICLE ACCELERATORS↗

On the Life Expectancy Ot High-power CW Magnetrons for Superconducting Accelrators

Modern CW or pulse Superconducting RF (SRF) accelerators require efficient RF sources controllable in phase and power with a reduced cost. Therefore, utilization of the high-power CW magnetrons as RF sources in SRF accelerator projects was proposed in a number of works, e.g., [1, 2]. But typically, the CW magnetrons are designed as RF sources for industrial heating, and the lifetime of the tubes is not the first priority as it is required for high-energy accelerators. The high-power industrial CW magnetrons use the cathodes made of pure tungsten. The emission properties of the tungsten cathodes are not deteriorated much by electron and ion bombardments, but the latter causes sputtering of the cathode in the magnetron crossed fields. The sputtered cathode material covers the magnetron interior. This leads to sparks and discharges that limit the life of the magnetrons. We considered an analysis of magnetron failure modes vs. output power [3]. We developed a model of ionization of the residual gas in the magnetrons interaction space and simulated the spattering of the cathode in 100 kW CW magnetrons to estimate the life expectancy. Basing on results we proposed ways to increase the CW magnetrons longevity for SRF accelerators.

43 PARTICLE ACCELERATORS↗

ODU Optimization of Nb3Sn supttering on SRF structures

High efficiency Superconducting radio-frequency (SRF) cavities are the key technology to cost-effective Continuous Wave (CW) SRF accelerators. Recent advances in Nb3Sn coatings on the inner surface of SRF cavities showed the potential for this material to significantly cut the capital and operating cost of SRF accelerators. The best results are presently achieved with Nb3Sn films coated by using the so-called vapor diffusion technique. Several alternative approaches have been and are being investigated such as electrochemical deposition, bronze routes, and sputtering. Among these techniques, magnetron sputtering is a versatile technique, which has been demonstrated to deposit Nb3Sn films on SRF cavities. The technique requires further development to compete with the results demonstrated on the cavities coated with the vapor diffusion techniques. The team to develop the novel technique includes a graduate student from Old Dominion University (ODU) and other experts. ODU Prof. Elsayed-Ali directs the graduate student to coat samples and cavities in the new coating system and analyze samples with different surface science techniques. Dr. Grigory Eremeev from Fermilab assists with 2.6 GHz cavities for coating, cavity characterization at cryogenic temperature, and result analysis. The research is funded by the Office of High Energy Physics at the US Department of Energy at both Fermilab and ODU

43 PARTICLE ACCELERATORS↗

MPEX AI Digital Twins

All magnetically confined plasma fusion power plant concepts (Tokamak, Spherical Tokamak, Stellarator, Mirror, ...) must exhaust the heat and plasma from the core confinement region to the material walls. The primary channel for this exhaust is through a plasma divertor which directs plasma along open magnetic field lines to a material target. The Material Plasma Exposure eXperiment (MPEX) illustrated in Figure 1, is a high-power, steady-state linear plasma device designed to produce the plasma material interaction (PMI) conditions of the divertor of future magnetic confinement fusion power plants: energy flux 20MW/m 2 , ion fluence 1031/m 2 , pulse duration 106 sec. These goals of plasma exposure in MPEX are well beyond those achieved in magnetic fusion experimental devices. Successfully achieving these high power steady state conditions for long pulses requires operational control of the heating and particle sources and the plasma flux to the walls and target. The MPEX AI Hot Spot Controller, proposed in this project, will help achieve the operational milestones of MPEX. The MPEX device will begin commissioning at the end of FY26. A smaller proto-MPEX was operated for 14,666 plasma discharges and will resume operation in September of 2025 as proto-MPEX-lite, with reduced capability, to test a new window for the Helicon plasma source. The proto-MPEX data has undergone surrogate modeling with machine learning methods (R. Archibald, 2022 IEEE International Conference on Big Data). This proto-MPEX data will be used to begin development of the AI digital twins described in this white paper. The scientific mission of MPEX is to qualify materials of different composition for use in the high energy and plasma flux conditions of a fusion power plant. The materials exposed in MPEX will in some cases be exposed to high neutron fluxes at other ORNL facilities to measure the changes to their PMI properties. The targets exposed in MPEX will be transported under vacuum to a Surface Analysis Station (SAS). The SAS will be equipped with the following diagnostics: Focused Ion Beam (FIB) for trench milling, 100-400 angstrom resolution scanning electron microscope (SEM), surface mapping x-ray spectrometer, high resolution camera, and a future upgrade to a laser induced breakdown spectroscopy quadruple mass spectrometer (LIBS-QMS). The MPEX experiments will generate diverse pre- and post-exposure measurement data of detailed material properties down to the crystal grain level in 3D for post-exposure assessment of PMI damage (e.g. cracking, melting, erosion and redeposition of the material). Physics models for the PMI, and how the material composition and manufacturing impact its performance under high energy plasma exposure, need to be validated with MPEX data to guide the selection of new candidate materials. Our vision for the MPEX AI Digital Twins project is to supply experimental and physics model simulation data to train Artificial Intelligence (AI) models for data processing, analysis, operational control, PMI and materials simulation to maximize the scientific output of the MPEX device. Ultimately, an AI digital twin of MPEX material assessment metrics for tested and synthetic material types with simulated PMI will be trained by the AI Modeling Teams on the experimental and physics simulation data submitted to the American Science Cloud by this project. A purely empirical search for the best material is inefficient given the finite number of samples that can be tested on MPEX. In order to expand the material properties database for training the MPEX Material Assessment AI Digital Twin, and to gain physics understanding of the PMI processes, physics models of the material properties and PMI processes are required. The physics simulations provide detailed simulation data, like impact angles for plasma ions, sputtering yields, transport of the ionized sputtered target material in the plasma, and redeposition locations. This simulation data expands the measurement data for deeper physics understanding. The experimental data is essential to validate the PMI and material structure simulation models. The validated models can then be used to generate new simulation data of MPEX material assessments for synthetic material compositions that have not been exposed in MPEX. These predictive simulations, plus the whole experimental dataset, will be used to train the MPEX Material Assessment AI Digital Twin allowing a rapid generative AI search for new materials with reduced PMI damage by interpolating the domain of the training set. These new optimum materials can be simulated with the physics codes and/or tested in MPEX. The ability of AI neural networks to interpolate multi-dimensional parameter spaces and generate virtual data is exploited for a more efficient search for optimum materials. The advent of the Transformational AI Models Consortium (TAIMC) is an opportunity to engage with state of the art private and public AI developers to achieve the goals of the AI digital twins and AI accelerated physics models proposed in this project. Our partners at ORNL from the Advance Scientific Computing Research (ASCR) organization will collaborate in accelerating the integrated plasma material interaction simulation framework. This simulation framework will provide a platform for generating simulation data across a range of physical fidelities, including hybrid methods that produce multi-fidelity results. This data will be leveraged for AI model development, both for generation of surrogates and the automation of simulation campaigns. A part of the research below will include collaborative efforts with the TAIMC to (i) adapt data storage approaches to ensure AI-readiness, (ii) provide a protypical exemplar to inform and exercise constructed workflows, and (iii) generate and share data, using the TAIMC unified AI data standard, for foundational models that will be trained from multiple sources across the DOE complex. We will also collaborate with the TAIMC, as well as the planned AI modeling teams, to develop approaches for reducing the cost of data generation. These include tailored multi-fidelity approaches as well as fine-tuning strategies to augment general, large-scale foundational models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A New Route to Improve the Material Quality of Nb3Sn with Zr Inclusion

Nb3Sn superconducting material promises significant potential to exceed the performance of niobium based superconducting radio frequency (SRF) accelerator cavities. With the aim of advancing the ongoing R&D efforts in improving the material quality of Nb3Sn SRF cavities, we studied how the inclusion of Zr in Nb3Sn matrix via co-sputtering process effects the microscopic structure and superconducting properties. Our results suggest co-sputtered Nb3SnZr alloy as a new prospective material platform to further advance the performance limits of SRF cavities.

Tripathi, Malvika [Fermilab]↗

Probing Non-Equilibrium Pair-Breaking and Quasiparticle Dynamics in Nb Superconducting Resonators Under Magnetic Fields

We conducted a comprehensive study of the non-equilibrium dynamics of Cooper pair breaking, quasiparticle (QP) generation, and relaxation in niobium (Nb) cut from superconducting radio-frequency (SRF) cavities, as well as various Nb resonator films from transmon qubits. Using ultrafast pump–probe spectroscopy, we were able to isolate the superconducting coherence and pair-breaking responses. Our results reveal both similarities and notable differences in the temperature- and magnetic-field-dependent dynamics of the SRF cavity and thin-film resonator samples. Moreover, femtosecond-resolved QP generation and relaxation under an applied magnetic field reveals a clear correlation between non-equilibrium QPs and the quality factor of resonators fabricated by using different deposition methods, such as DC sputtering and high-power impulse magnetron sputtering. These findings highlight the pivotal influence of fabrication techniques on the coherence and performance of Nb-based quantum devices, which are vital for applications in superconducting qubits and high-energy superconducting radio-frequency applications.

43 PARTICLE ACCELERATORS↗

Titanium Nitride as an Intermetallic Diffusion Barrier for Hydrogen Permeation in Palladium–Vanadium Composite Membranes

Hydrogen purification is a critical industrial process, and there are ongoing efforts to develop low-cost alternatives to palladium foil membranes. Titanium nitride (TiN) is studied as an interdiffusion barrier to enable hydrogen permeation in composite palladium–vanadium membranes. TiN was deposited via reactive sputtering, and films with the desired (200) orientation were obtained in the metallic regime at 400 °C under a 200 V bias to the substrate. The permeability of thin-film TiN was determined with palladium-based sandwich structures. TiN layers up to 10 nm resulted in a minimal decrease in flux (~20%) relative to a freestanding PdCu foil, which was attributed to the interfacial resistance. At greater thicknesses, the TiN layer was rate-limiting, and it was found that the effective permeability of the sputtered TiN thin films was ~6 × 10−12 mol s−1 m−1 Pa−0.5. Composite Pd|TiN|V|TiN|Pd membranes exhibited permeability values up to three times greater than pure palladium, exhibiting stability at 450 °C for over 100 h, with the lack of intermetallic diffusion and alloy formation being confirmed with XRD. The membranes were unstable at 500 °C, which was attributed to the instability of the thin Pd layer and loss of catalytic activity.

Biochemistry & Molecular Biology↗

Synthesis Procedure of Highly Densely Packed Carbon Nanotube Forests on TiN

The goal of this research was to obtain high-density single-walled carbon nanotube forests (SWNTs) on conductive substrates for different applications, including field emission. For this, dip-coating was chosen as the catalyst deposition method, to subsequently grow SWNTs by Alcohol Catalytic Chemical Vapor Deposition (AC-CVD). Si (100) was chosen as the substrate, which was then coated with a TiN thin film. By sputtering with Ar, it was possible to generate alternating TiN and Si lanes, with a different wettability and, therefore, a different affinity for the catalysts. As a result, the Mo-Co catalyst was mainly deposited on TiN and not on sputtered-Si, which allowed the selective growth of SWNT forests on the TiN conductive surfaces. These as-synthesized SWNTs were used for field emission measurements in a high vacuum chamber.

36 MATERIALS SCIENCE↗

Optical analysis of III-nitride micro-light-emitting diodes with different sidewall treatments at low current density operation

Here, in this work, the optical efficiency of III-nitride blue micro-LEDs (μLEDs) ranged from 5 × 5 to 60 × 60 μm 2 with different sidewall treatments at low current density range was investigated. The results showed dielectric sidewall passivation using atomic layer deposition (ALD) has superior optical enhancement compared to conventional RF sputtering, where most of the enhancement occurred at low current density range. Additionally, the use of ALD sidewall passivation and chemical treatment offered significant efficiency improvement for different sizes of μLEDs at operating less than 1 A cm −2 and the devices without sidewall treatments did not emit light. The effect of sidewall treatments to the effective Shockley–Read–Hall (SRH) nonradiative recombination coefficient, or the effective A coefficient from the ABC model, was estimated. The effective SRH nonradiative recombination coefficient was suppressed by two orders of magnitude for devices with sidewall treatments compared to devices without sidewall passivation.

Wong, Matthew S.↗