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34 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Microscopic examination of rf-cavity-quality niobium films through local nonlinear microwave response

The performance of superconducting radio-frequency (SRF) cavities is sometimes limited by local defects. To investigate the rf properties of these local defects, especially those that nucleate rf magnetic vortices, a near-field magnetic microwave microscope is employed. Local third-harmonic response ( P 3 f ) and its temperature dependence and rf power dependence are measured for one Nb / Cu film grown by direct current magnetron sputtering (DCMS) and six Nb / Cu films grown by high-power impulse magnetron sputtering (HiPIMS) with systematic variation of deposition conditions. Five out of the six HiPIMS Nb / Cu films show a strong third-harmonic response that is likely coming from rf vortex nucleation due to a low- T c surface defect with a transition temperature between 6.3 and 6.8 K, suggesting that this defect is a generic feature of air-exposed HiPIMS Nb / Cu films. A phenomenological model of surface-defect grain boundaries hosting a low- T c impurity phase is introduced and studied with time-dependent Ginzburg-Landau (TDGL) simulations of probe-sample interaction to better understand the measured third-harmonic response. The simulation results show that the third-harmonic response of rf vortex nucleation caused by surface defects exhibits the same general features as the data, including peaks in third-harmonic response with temperature, and their shift and broadening with higher microwave amplitude. We find that the parameters of the phenomenological model (the density of surface defects that nucleate rf vortices and the depth an rf vortex travels through these surface defects) vary systematically with film deposition conditions. From the point of view of these two properties, the Nb / Cu film that is most effective at reducing the nucleation of rf vortices associated with surface defects can be identified. Published by the American Physical Society 2024

Wang, Chung-Yang (ORCID:0000000184299633)↗
DOE OSTI2023

Commissioning of Dedicated Furnace for Nb3Sn Coatings of 2.6 GHz Single Cell Cavities

We present the results of commissioning a dedicated furnace for Nb3Sn coatings of 2.6 GHz single cell cavities. Nb3Sn is a desired coating due to its high critical temperature and smaller surface resistance compared to bulk Nb. Usage of Nb3Sn coated cavities will greatly reduce operating costs due to decreased dependance on cryo cooling. Tin is deposited by use of a tin chloride nucleation agent and tin vapor diffusion. Analysis of the resultant coating was performed using SEM/EDS to verify successful formation of Nb3Sn. Witness samples in line of sight of the source were used in order to understand the coating efficacy.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

SURFACE ROUGHNESS REDUCTION AND PERFORMANCE OF Nb3Sn FILM FOR SRF APPLICATIONS

Nb3Sn offers better RF performance (Q and Eacc) than Nb at any given temperature because of its superior superconducting properties. The potential deployment of Nb3Sn-coated SRF cavities at 4 K, delivering similar performance to that of Nb cavities at 2 K, will be a transformational technology to enable new classes of SRF accelerator applications. A clean and smooth surface can enhance the performance of the Nb3Sn-coated cavity, typically, the attainable acceleration gradient. The reduction of surface roughness is often linked with a correlative reduction in average coating thickness and grain size. A new approach to enhance the nucleation centers using the pre-deposition of Sn on Nb is introduced for surface roughness reduction. Besides Sn supply's careful tuning, the temperature profiles were varied to engineer the coating surface with reduced roughness as low as ~40 nm in 20 µm × 20 µm AFM scans, one-third that of the typical coating. Electropolishing of coated sample shows surface a clear surface smoothening. A few sets of coating parameters were used to coat 1.3 GHz sin-gle-cell cavities to understand the effects of roughness variation on the RF performance. This presentation discusses ways to reduce surface roughness with results from a systematic analysis of the samples and Nb3Sn-coated single-cell cavities.

Pudasaini, Uttar↗
DOE OSTI2023

SURFACE ROUGHNESS REDUCTION AND PERFORMANCE OF Nb3Sn FILM FOR SRF APPLICATIONS

Nb3Sn offers better RF performance (Q and Eacc) than Nb at any given temperature because of its superior superconducting properties. The potential deployment of Nb3Sn-coated SRF cavities at 4 K, delivering similar performance to that of Nb cavities at 2 K, will be a transformational technology to enable new classes of SRF accelerator applications. A clean and smooth surface can enhance the performance of the Nb3Sn-coated cavity, typically, the attainable acceleration gradient. The reduction of surface roughness is often linked with a correlative reduction in average coating thickness and grain size. A new approach to enhance the nucleation centers using the pre-deposition of Sn on Nb is introduced for surface roughness reduction. Besides Sn supply's careful tuning, the temperature profiles were varied to engineer the coating surface with reduced roughness as low as ~40 nm in 20 µm × 20 µm AFM scans, one-third that of the typical coating. Electropolishing of coated sample shows surface a clear surface smoothening. A few sets of coating parameters were used to coat 1.3 GHz sin-gle-cell cavities to understand the effects of roughness variation on the RF performance. This presentation discusses ways to reduce surface roughness with results from a systematic analysis of the samples and Nb3Sn-coated single-cell cavities.

Pudasaini, Uttar↗
DOE OSTI2023

Commissioning of dedicated furnace for Nb3Sn coatings of 2.6GHz single cell cavities

We present the results of commissioning a dedicated fur- nace for Nb3Sn coatings of 2.6 GHz single cell cavities. Nb3Sn is a desired coating due to its high critical temper- ature and smaller surface resistance compared to bulk Nb. Usage of Nb3Sn coated cavities will greatly reduce operat- ing costs due to decreased dependance on cryo cooling. Tin is deposited by use of a tin chloride nucleation agent and tin vapor diffusion. Analysis of the resultant coating was performed using SEM/EDS to verify successful formation of Nb3Sn. Witness samples in line of sight of the source were used in order to understand the coating efficacy.

Kulyavtsev, P. A.↗
DOE OSTI2023

Analysis of furnace contamination on superconducting radio frequency niobium using secondary-ion mass spectrometry

Detection of surface contamination on niobium materials used in superconducting radio frequency (SRF) applications is difficult due to quantitative sensitivity and near-atomic depth resolution needed. Inspection of samples known to have experienced surface contamination was found to have inconsistent nitride coverage after high-temperature nitrogen gas exposure (“doping”). Here we compare contaminating species found on samples treated in several different vacuum furnaces, both “exposed” directly in the chamber and “protected” by containment shielding from evaporative sources with “furnace caps.” Typically, furnace caps are used to impede contamination from reaching the interior surface of cavities during the high-temperature vacuum bake that immediately precedes exposure to nitrogen gas. Although, to date, little is known about the effectiveness of these caps, SIMS results showed that they were effective in limiting contamination arising from the furnace environment. Inspection of sample surfaces by SEM showed a lack of nitrides present on contaminated specimens. TEM with energy dispersive spectroscopy performed on these samples revealed that a carbon-rich layer now existed, indicating that a relatively high contaminant load prevents the nucleation and growth of surface nitrides, while thus inhibiting interstitial nitrogen uptake. Except in extreme cases, subsequent removal of the top several micrometers of the surface via electropolishing appears to effectively eliminate any strong influence on the subsequent SRF cavity performance. With the absence of furnace cleaning, carbon contamination was found to be nearly 10× higher for protected nitrogen-doped and electropolished samples, with minimal metallic contamination detected for both processes. SIMS analysis was also performed to compare the cleanliness of samples fully prepared by such nitrogen “doping” with those prepared by a related process, involving the dissolution of niobium surface oxide and diffusion of oxygen into the surface. This oxygen doping or alloying process offers attractive advantages.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Electropolishing-induced topographic defects in niobium: insights and implications for superconducting radio frequency applications

Electropolishing (EP) is the premier surface preparation method for high-Q, high-gradient superconducting RF cavities made of Nb. This leaves behind an apparently smooth surface, yet the achievable peak magnetic fields fall well below the superheating field of Nb, in most cases. Here, in this work, the ultimate surface finish of EP was investigated by studying its effect on highly polished Nb samples. EP introduces high slope angle sloped-steps at grain boundaries. The magnetic field enhancement and superheating field suppression factors associated with such a geometry are calculated in the London theory. Despite the by-eye smoothness of electropolished Nb, such defects compromise the stability of the low-loss Meissner state, likely limiting the achievable peak accelerating fields in superconducting RF cavities. Finally, the impact of surface roughness on impurity diffusion is investigated which can link surface roughness to the effectiveness of heat treatments like low-temperature baking or nitrogen infusion in the vortex nucleation or hydride hypotheses. Surface roughness tends to decrease the effective dose of impurities as a result of the expansion of impurities into regions with greater internal angle. The effective dose of impurities can be protected by minimizing slope angles and step heights, ensuring uniformity.

Hryhorenko, Oleksandr [Thomas Jefferson National A↗
DOE OSTI2026

Electropolishing-induced topographic defects in niobium: Insights and Implications for SRF

Electropolishing (EP) is the premier surface preparation method for high-Q, high-gradient superconducting RF cavities made of Nb. This leaves behind an apparently smooth surface, yet the achievable peak magnetic fields fall well below the superheating field of Nb, in most cases. In this work, the ultimate surface finish of EP was investigated by studying its effect on highly polished Nb samples. EP introduces high slope angle sloped-steps at grain boundaries. The magnetic field enhancement and superheating field suppression factors associated with such a geometry are calculated in the London theory. Despite the by-eye smoothness of electropolished Nb, such defects compromise the stability of the low-loss Meissner state, likely limiting the achievable peak accelerating fields in superconducting RF cavities. Finally, the impact of surface roughness on impurity diffusion is investigated which can link surface roughness to the effectiveness of heat treatments like low-temperature baking or nitrogen infusion in the vortex nucleation or hydride hypotheses. Surface roughness tends to decrease the effective dose of impurities as a result of the expansion of impurities into regions with greater internal angle. The effective dose of impurities can be protected by minimizing slope angles and step heights, ensuring uniformity.

Lechner, Eric [Thomas Jefferson National Accelerat↗
DOE OSTI2023

Grain boundary softening from stress assisted helium cavity coalescence in ultrafine-grained tungsten

The formation of helium cavities in coarse-grained materials produces hardening proportional to the number density and size of the cavities and due to the interaction of dislocations with intragranular helium defects. In nanostructured metals containing a high density of interfacial sinks, preferential cavity formation in the grain boundaries instead produces softening that is often attributed to enhanced interfacial plasticity. Here, employing two grades of ultrafine-grained tungsten, we explore this effect using targeted implantation studies to map cavity evolution as a function of the irradiation conditions and quantify its impact on the mechanical response through nanoindentation. Softening is reported at implantation temperatures above the threshold for preferential grain boundary cavity formation but at a sufficiently low fluence prior to the growth of intragranular cavities. Collective changes in the mean cavity size, density, and morphology beneath a residual impression on an implanted surface indicate that cavity coalescence accompanied the reduction in hardness. Complementary atomistic simulations demonstrate that, in tungsten grain structures exhibiting softening, grain boundary bubble coalescence is driven by stress concentrations that further act to localize strain in the grain boundaries through cooperative deformation processes involving local atomic shuffling and sliding, dislocation emission, and even the nucleation of unstable twinning events.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Zr‐Porphyrin Metal–Organic Framework as nanoreactor for boosting the formation of hydrogen clathrates

Abstract We report the first experimental evidence for rapid formation of hydrogen clathrates under mild pressure and temperature conditions within the cavities of a zirconium‐metalloporphyrin framework, specifically PCN‐222. PCN‐222 has been selected for its 1D mesoporous channels, high water‐stability, and proper hydrophilic behavior. Firstly, we optimize a microwave (MW)‐assisted method for the synthesis of nanosized PCN‐222 particles with precise structure control (exceptional homogeneity in morphology and crystalline phase purity), taking advantage of MW in terms of rapid/homogeneous heating, time and energy savings, as well as potential scalability of the synthetic method. Second, we explore the relevance of the large mesoporous 1D open channels within the PCN‐222 to promote the nucleation and growth of confined hydrogen clathrates. Experimental results show that PCN‐222 drives the nucleation process at a lower pressure than the bulk system (1.35 kbar vs 2 kbar), with fast kinetics (minutes), using pure water, and with a nearly complete water‐to‐hydrate conversion. Unfortunately, PCN‐222 cannot withstand these high pressures, which lead to a significant alteration of the mesoporous structure while the microporous network remains mainly unchanged.

Carrillo‐Carrión, Carolina↗
DOE OSTI2024

Zr‐Porphyrin Metal–Organic Framework as nanoreactor for boosting the formation of hydrogen clathrates

Abstract We report the first experimental evidence for rapid formation of hydrogen clathrates under mild pressure and temperature conditions within the cavities of a zirconium‐metalloporphyrin framework, specifically PCN‐222. PCN‐222 has been selected for its 1D mesoporous channels, high water‐stability, and proper hydrophilic behavior. Firstly, we optimize a microwave (MW)‐assisted method for the synthesis of nanosized PCN‐222 particles with precise structure control (exceptional homogeneity in morphology and crystalline phase purity), taking advantage of MW in terms of rapid/homogeneous heating, time and energy savings, as well as potential scalability of the synthetic method. Second, we explore the relevance of the large mesoporous 1D open channels within the PCN‐222 to promote the nucleation and growth of confined hydrogen clathrates. Experimental results show that PCN‐222 drives the nucleation process at a lower pressure than the bulk system (1.35 kbar vs 2 kbar), with fast kinetics (minutes), using pure water, and with a nearly complete water‐to‐hydrate conversion. Unfortunately, PCN‐222 cannot withstand these high pressures, which lead to a significant alteration of the mesoporous structure while the microporous network remains mainly unchanged.

Carrillo‐Carrión, Carolina↗
DOE OSTI2023

Solution Structure and Hydration Forces between Mica and Hydrophilic Versus Hydrophobic Surfaces

Solid-liquid interfaces are central to a range of interesting phenomena including catalysis, heterogeneous nucleation, water desalination, and biomolecular assembly. While three-dimensional Fast Force Mapping (3D FFM) has emerged as a technique for resolving interfacial solution structure at the molecular scale, key challenges for data interpretation persist, most notably regarding the influence of the probe on the measured structure. Using the mica-water system as a case study, we investigate the effect of hydrophilic and hydrophobic probes on interfacial solution structure measured by 3D FFM. Data from hydrophilic silicon-based probes are in good agreement with molecular dynamics simulations, wherein the innermost water molecules adsorb preferentially at the surface ditrigonal cavity sites followed by two subsequent hydration layers. In contrast, the hydrophobic carbon-based probes detect vertical oscillatory features, but do not show lateral patterning that matches the underlying mica lattice. At high ionic strength, up to six of these oscillatory features are observed extending 2 nm into the solution phase with an average spacing of 0.29 ± (0.04) nm. Further, we also determine that the repulsive hydration force between mica and the hydrophilic probe depends on the nature and concentration of ions in solution. Specifically, solutions with stronger ion-water and ion-ion interactions increase the interfacial viscosity, which results in a stronger repulsive hydration force as the probe approaches the surface. Based on these observations, we present a scheme for controlling the outcomes of particle attachment and aggregation by varying the solution conditions to tune the hydration force.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Experimental Report: Multi-Instrument Comparison of AAF Size Distribution Instruments

Aerosols are particles suspended in the atmosphere, ranging in size from nanometers to micrometers. Their size distribution affects key atmospheric processes, including nucleation, coagulation, scavenging, activation, and radiative properties (Seinfeld and Pandis 2016). Aerosol size distribution is a critical parameter in atmospheric science, influencing processes such as cloud formation and radiative forcing. Accurate representation of aerosol size distributions is essential for understanding their impact on climate, air quality, and human health. However, aerosol size and composition vary significantly across time and space due to meteorological conditions and natural or anthropogenic sources. (Wu and Boor 2021). Various instruments are used to measure aerosol size distributions, each with distinct principles, advantages, and limitations. This report begins with an in-depth overview of aerosol size-distribution comparison studies, focusing on the passive cavity aerosol spectrometer probe (PCASP), portable optical particle spectrometer (POPS), ultra-high-sensitivity aerosol spectrometer (UHSAS), aerodynamic particle sizer (APS), and scanning mobility particle sizer (SMPS). All of these instruments are used by the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) Aerial Facility (AAF), which commissioned this comparison and report. The report evaluates the strengths and weaknesses of these instruments, highlights their applications, and discusses efforts to merge data from multiple instruments for comprehensive analysis.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

High plasticity in refractory composite fabrication by ultrasonic additive manufacturing

Refractory metal composites are desirable for use in extreme environments that require materials with high specific strengths and resilience to external environments such as that found in nuclear and aerospace. However, due to the high melting temperature of refractories, liquid state joining processes such as welding remains difficult. Ultrasonic additive manufacturing (UAM) provides a potential route for processing refractory composites because it is a solid-state (i.e., no-melting) process and allows for intermittent machining operations to be performed between welds. Further, to demonstrate refractory composite fabrication, this study utilized UAM to machine a cavity to locate and sequester a Mo foil in a Zircaloy-4 (Zry-4) baseplate and additively build over the top with Zry-4 foils, thereby embedding the Mo in Zry-4 matrix. Significant deformation of the Zry-4 microstructure was observed: this deformation caused adiabatic heating and subsequent dynamic recrystallization through the transformation from α→β and then back to α as the material cooled. Flexural testing of the Zr–Mo composite revealed no delamination or failure, but the strength was not as expected, falling lower than a cold-worked Zry-4 sample. Finite element analysis supported that some bonding must have existed between the Zry-4 and Mo. There was indeed an interdiffusion zone at the Zry-4 foil–Mo foil interface, observing a metastable body-centered cubic β-Zr lathe. It was determined that sufficient strain energy was present to encourage the nucleation of the β-Zr grain along α-Zr grains. Future work is warranted to investigate UAM for refractory composite fabrication.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Cavity evolution and void swelling in dual ion irradiated tempered martensitic steels

Microstructural evolutions in two variants of the F82H 8 wt%Cr tempered martensitic steel under dual (He + plus Fe 3+ ) ion irradiations at 500 °C have been characterized by transmission electron microscopy. Emphasis is on understanding the combined effects of displacements per atom (dpa) and the helium/dpa ratio (He/dpa) on cavity evolution and void swelling (f v ). The dual ion database includes 231 alloy-dpa-He/dpa conditions for irradiations up to ~ 82 dpa and 3700 appm helium. Here, we hypothesize that the large “scatter” observed in the f v data is primarily due to local microstructural variations, especially those that shield regions at shallower depths from the effects of injected interstitial atoms, which would otherwise reduce f v . More generally, our hypothesis is that the highest f v data, at a specified dpa and He/dpa, provides the most appropriate estimate of swelling for fusion neutron irradiation conditions. The dose dependence of f v can be described by an incubation dpa i , marking the onset of significant void growth, and a post-incubation swelling rate, f v ’ = Δf v /Δdpa. Both dpa i and f v ’ decrease with increasing He/dpa. The f v ’ data are quantitatively consistent with a simple model for defect partitioning between evolving bubble, void, and dislocation sinks strengths and biases. Most notably, the model correctly predicts both the incubation dpa i , and the subsequent f v ’, in spite of the fact that they reflect somewhat different physics. Our analysis also suggests that defect recombination is modest at 500 °C. Along with other considerations, this supports the hypothesis that, even at high dpa rates, dual ion irradiations can be used to reasonably emulate void nucleation and growth for a range of fusion-relevant neutron irradiation service conditions. A companion paper incorporates the results of this study in a reduced-order, data-driven void swelling model.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Modeling and Simulation of Fuel Dispersal During the Loss-of-Coolant Accident

This document is the compilation of the milestone portion to a larger end of project NEUP report. The executive summary of the modeling portion is provided below: In the event of cladding rupture during a postulated LOCA in a pressurized water reactor, fuel particles, along with fission gases, can be expelled into the reactor core from the fractured fuel rod, a phenomenon referred to as fuel dispersal. The initial stage of fuel dispersal is strongly influenced by the high-pressure ejection of fuel fragments, the size and geometry of the ruptured cladding, and the depressurization history of the fuel rod during the postulated LOCA transient. Depending on the location of the burst orifice relative to the quench front, the dispersal event represents an intricate three-phase flow and heat transfer phenomenon, where high-temperature fuel particles carried by the fission gases interact with the coolant within the narrow subchannels of the fuel assemblies, inducing localized phase change. Given the unique multiphysics nature of this phenomena, the current study develops a dedicated computational framework to predict the mass distribution and cooling of dispersing fuel particles, facilitating post-accident assessment and management of the fuel assemblies. Considering the scale of nuclear reactor applications, a continuum three-fluid model is proposed for simulating the transport of solids within the reactor core. With high-temperature fuel fragments within the liquid media, nucleation sites inducing phase changes are dispersed within the flow domain. Coupled with the fact that the transient dispersal event occurs on different time scales than other three-phase flow applications, this study derives a time-averaged three-fluid flow model without losing generality. The assumptions regarding the continuum treatment of the solid phase and the modeling of fuel dispersal behavior are incorporated to simplify the governing equations and derive applicable closure relations. The computational validation of the model was conducted using adiabatic experimental results obtained from ongoing research at Oregon State University, focusing on characterizing fuel dispersal behavior during simulated LOCA conditions. Settlement characteristics of the solids, quantified by the probability distribution of equivalent particles, closely matched the probability density functions reported in experimental studies. The transport of fuel particles within a scaled 5 × 5 lattice of a pressurized-water reactor rod bundle geometry was modeled through a two-fluid Eulerian framework. The required boundary conditions were evaluated from the fuel performance code BISON in a postulated large-break LOCA scenario. The modeling framework considered solid fuel particles as granular matter, interacting with the gaseous dry steam phase and fission gases through the governing interfacial momentum exchange between the participating fluids. The simulation results provided the volume fraction of the solids obtained at the bottom surface of the enclosing tank geometry. Postulated LOCA leading to fuel dispersal phenomena involves the strong coupling between fuel thermomechanics, cladding deformation, thermal-hydraulics, and fuel particle transport. Incorporation of such a strong coupling in numerical simulation is performed by coupling the multiphysics solvers. In the case of fuel dispersal, a strong coupled simulation can be performed by coupling the BISON code for fuel performance, the TRACE code for system-level thermal hydraulics, and fuel particle transport in Multiphysics Object-Oriented Simulation Environment (MOOSE). For such intricate infrastructure, the MOOSE Framework eases the data transfer between codes. The recent version of MOOSE has incorporated the Navier-Stokes module for the fluid flow. An exploratory exercise was done to gain familiarity with finite volume capabilities in the MOOSE framework to incorporate the Spalart-Allmaras (SA) turbulence model. New finite-volume and auxiliary kernels were introduced to assemble the SA transport equation, compute turbulent viscosity, and evaluate wall distance and diagnostic turbulence terms, fully integrated with existing Navier-Stokes modules. A turbulent lid-driven cavity at a Reynolds number of approximately 10,000 is used for verification. MOOSE shows the robust solver convergence and produces the turbulent features. But it underpredicts the velocity profile and turbulent quantities, emphasizing the need to develop improved SA near-wall treatments (e.g., low-Re corrections or wall functions) as a key direction for future work.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗