arXiv subjects

Dieter Isheim

Publications and source records attributed to Dieter Isheim.

7 recordsLinked to original sources

arXiv2026

Oxygen distribution and segregation at grain boundaries in Nb and Ta-encapsulated Nb thin films for superconducting qubits

We report on atomic-scale analyses of oxygen distribution and segregation at grain boundaries (GBs) of Nb and Ta-encapsulated Nb (Ta/Nb) thin films for superconducting qubits using atom-probe tomography (APT) and transmission electron microscopy (TEM). We observe oxygen segregation at grain boundaries (GBs) relative to the oxygen concentration within the grains for both Nb and Ta-capped Nb thin films for superconducting qubits and find that higher oxygen concentration in the interior of Nb grains lead to greater oxygen segregation levels at GBs. This finding emphasizes that controlling oxygen impurities in Nb during film deposition and fabrication processing is important to reduce the level of oxygen segregation at GBs in Nb. The enrichment factor (Cgb/Cgrain) for oxygen segregation at GBs in Nb is 2.7 (error bar: 0.3) for Nb films, and Ta-capped Nb thin films exhibit slightly reduced Nb GB enrichment factors of 2.3 (error bar: 0.3) while GBs in the Ta capping layer itself possess higher enrichment factors of 3.0 (error bar: 0.3). We hypothesize that the Ta capping layer can trap oxygen and thereby affect oxygen in-diffusion and segregation at GBs in the underlying Nb thin films. Finally, we find that increases in the oxygen concentration in both Nb grains and GBs correlate with a suppression in the critical temperature for superconductivity (Tc). Together, our comparative chemical and charge transport property analyses provide atomic-scale insights into a potential mechanism contributing to decoherence in superconducting qubits.

cond-mat.supr-con↗

arXiv2025

Concentration-Dependent Tungsten Effects on Chemical Short-Range Order and Deformation Behavior in Ni-W alloys

Ni-W based medium heavy alloys offer a promising pathway to bridge the density-strength gap between tungsten heavy alloys and ultrahigh-strength steels. In this study, the effects of W concentration on chemical short-range order (CSRO), deformation behavior, and grain boundary chemistry of Ni-xW alloys in the range x = 0 to 38 wt% were systematically investigated using a suite of advanced characterization and modeling techniques, including synchrotron X-ray diffraction, transmission electron microscopy, atom probe tomography, and first-principles thermodynamic simulations. Our study reveals that strong CSRO emerges when W content exceeds about 30 wt%, producing distinct diffuse scattering and significantly enhancing strain-hardening capacity. During deformation, the presence of SRO promotes planar slip and twin formation, leading to strong dislocation interactions and elevated flow stress. Hall-Petch analysis demonstrates an exceptionally high grain boundary strengthening coefficient (ky about 1100 MPa micrometer^(1/2)) in Ni-38W, underscoring the intrinsic strengthening effect associated with CSRO. First-principles cluster expansion coupled with Monte Carlo simulations reveals that increasing W content enhances SRO tendency through the stabilization of Ni4W-type local configurations. These findings establish a mechanistic link between W concentration, CSRO evolution, and mechanical response, providing new insights for designing high-density, high-strength Ni-W based alloys with optimized performance.

cond-mat.mtrl-sci↗

arXiv2025

Identifying Materials-Level Sources of Performance Variation in Superconducting Transmon Qubits

The Superconducting Materials and Systems (SQMS) Center, a DOE National Quantum Information Science Research Center, has conducted a comprehensive and coordinated study using superconducting transmon qubit chips with known performance metrics to identify the underlying materials-level sources of device-to-device performance variation. Following qubit coherence measurements, these qubits of varying base superconducting metals and substrates have been examined with various nondestructive and invasive material characterization techniques at Northwestern University, Ames National Laboratory, and Fermilab as part of a blind study. We find trends in variations of the depth of the etched substrate trench, the thickness of the surface oxide, and the geometry of the sidewall, which when combined, lead to correlations with the T$_1$ lifetime across different devices. In addition, we provide a list of features that varied from device to device, for which the impact on performance requires further studies. Finally, we identify two low-temperature characterization techniques that may potentially serve as proxy tools for qubit measurements. These insights provide materials-oriented solutions to not only reduce performance variations across neighboring devices, but also to engineer and fabricate devices with optimal geometries to achieve performance metrics beyond the state-of-the-art values.

quant-ph↗

arXiv2023

Unveiling the nucleation and growth of Zr oxide precipitates of internally oxidized Nb3Sn superconductors

We report on atomic-scale analyses of nucleation and growth of Zr oxide precipitates and the microstructural evolution of internally oxidized Nb3Sn wires for high-field superconducting magnet applications, utilizing atom probe tomography (APT), transmission electron microscopy (TEM), and first-principles calculations. APT analyses reveal that prior to interfacial reactions at Nb/Nb3Sn interfaces, Zr atoms in an unreacted Nb-1Zr-4Ta (at.%) alloy form clusters with O atoms owing to their high affinity for oxygen and are segregated at grain boundaries (GBs) in the Nb grains. Then, nucleation of Zr oxide precipitates occurs in Nb3Sn and at Nb3Sn/Nb interfaces, driven by the small solubility of Zr and O in Nb3Sn compared to Nb. Quantitative APT and TEM analyses of Zr oxide precipitates in Nb3Sn layers demonstrate the nucleation, growth, and coarsening processes of Zr oxide precipitates in Nb3Sn layers. A high number density of Zr oxide nanoprecipitates is observed in the Nb3Sn layers, ~10^23 per m^3, with a mean precipitate diam. <10 nm at 625 oC and 700 oC, which provide pinning centers for grain refinement of Nb3Sn, <100 nm diam., and serve as pinning sites for fluxons. First-principles calculations and classical nucleation theory are employed to describe the nucleation of Zr oxide precipitates in Nb3Sn: energy barriers and the critical radius for nucleation of Zr oxide precipitates in Nb3Sn. Our research yields the kinetic pathways for nucleation and growth of Zr oxide precipitates and the microstructural evolution of Nb3Sn layers, which helps to improve the fabrication process of internally oxidized Nb3Sn wires for high-field superconducting magnets.

cond-mat.mtrl-sci↗

arXiv2020

Nanosized Monoatomic Palladium Metallic Glass

Physically vitrifying single-element metallic glass requires ultrahigh cooling rates, which are still unachievable for most of the closest-packed metals. Here, we report a facile synthetic strategy for creating mono-atomic palladium metallic glass nanoparticles with a purity of 99.35 +/- 0.23 at% from palladium-silicon liquid droplets using a cooling rate below 1000 K/s. In-situ environmental transmission electron microscopy directly detected the leaching of silicon. Further hydrogen absorption experiment showed that this palladium metallic glass expanded little upon hydrogen uptake, exhibiting a great potential application for hydrogen separation. Our results provide insight into the formation of mono-atomic metallic glass at nanoscale.

cond-mat.mtrl-sci↗

arXiv2018

Dendritic Oxide Growth in Zero-Valent Iron Nanofilms Revealed by Atom Probe Tomography

Atom probe tomography (APT) analysis of chemically pure nanofilms of zero-valent iron (Fe(0), or ZVI) and their thermal oxide nano-overlayers reveals the presence of dendritic iron oxide features that extend from the oxide nano-overlayer surface into the ZVI bulk. The dendrites are observed by APT to be in the 5 nm x 10 nm size range and form quickly under natural atmospheric conditions. Their growth into the ZVI lalyer is, within the limit of our three-month long study, self-limiting (i.e. their initial growth appears to quickly discontinue). The atomistic views presented here shed first light on the atmospheric corrosion process of Fe(0)-bearing engineered nanostructures and their surfaces in the limit of low bulk impurities. Possible roles of the newly identified oxidized iron dendrites are also discussed in the context of passivation processes limiting technological applications of Fe(0).

cond-mat.mtrl-sci↗

arXiv2007

Direct Measurement of 2D and 3D Interprecipitate Distance Distributions from Atom-Probe Tomographic Reconstructions

Edge-to-edge interprecipitate distance distributions are critical for predicting precipitation strengthening of alloys and other physical phenomena. A method to calculate this 3D distance and the 2D interplanar distance from atom-probe tomographic data is presented. It is applied to nanometer-sized Cu-rich precipitates in an Fe-1.7 at.% Cu alloy. Experimental interprecipitate distance distributions are discussed.

cond-mat.mtrl-sci↗