Author: Kelley, M.M.
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SUPFDV002 Ab Initio Theory of the Impact of Grain Boundaries on the Superconducting Properties of Nb3Sn 62
 
  • M.M. Kelley, T. Arias, N. Sitaraman
    Cornell University, Ithaca, New York, USA
 
  Funding: This work was supported by the US National Science Foundation under award PHY-1549132, the Center for Bright Beams.
For over 50 years experiments have repeatedly demonstrated that the superconducting performance of Nb3Sn is profoundly sensitive to grain boundaries (GBs), but only recently has a microscopic theory emerged. Here we present the first comprehensive, ab initio study of GBs in Nb3Sn*. While most conventional superconductors, such as Nb, are not significantly impacted by GBs, Nb3Sn is much more sensitive to defects and disorder owing to its short coherence length of ~3 nm. Indeed, experiments suggest a link between GB stoichiometry and the performance of Nb3Sn superconducting radio frequency (SRF) cavities, and mesoscopic simulations point to GBs as a candidate mechanism that lowers the vortex-entry field in Nb3Sn SRF cavities. Our density-functional theory (DFT) calculations on tilt and twist GBs provide direct insight into antisite defect formation near GBs and how local electronic properties are impacted by clean GBs and by GBs with added point defects. Ultimately, we will show how GB composition affects the local Tc around GBs in Nb3Sn to elucidate recent SRF experiments and provide insight on promising modifications to the growth procedure of Nb3Sn to optimize its SRF performance.
[*] Michelle M Kelley et al 2021 Supercond. Sci. Technol. 34 015015
 
DOI • reference for this paper ※ https://doi.org/10.18429/JACoW-SRF2021-SUPFDV002  
About • Received ※ 01 July 2021 — Accepted ※ 02 December 2021 — Issue date; ※ 09 April 2022  
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TUPFDV010 New Recipes to Optimize the Niobium Oxide Surface From First-Principles Calculations 426
 
  • N. Sitaraman, T. Arias, Z. Baraissov, M.M. Kelley, D.A. Muller
    Cornell University, Ithaca, New York, USA
  • M. Liepe, R.D. Porter, Z. Sun
    Cornell University (CLASSE), Cornell Laboratory for Accelerator-Based Sciences and Education, Ithaca, New York, USA
 
  Funding: This work was supported by the U.S. National Science Foundation under Award No. PHY-1549132, the Center for Bright Beams
The properties of niobium oxide are of critical importance for a wide range of topics, from the behavior of nitrogen during infusion treatments, to the nucleation of Nb3Sn, to the superconducting properties of the surface. However, the modeling of the oxide is often much simplified, ignoring the variety of niobium oxide phases and the extremely different properties of these phases in the presence of impurities and defects. We use density functional theory (DFT) to investigate how electrochemical treatments and gas infusion procedures change the properties of niobium oxide, and to investigate how these properties could be optimized for Nb3Sn nucleation and for niobium SRF performance.
 
DOI • reference for this paper ※ https://doi.org/10.18429/JACoW-SRF2021-TUPFDV010  
About • Received ※ 01 July 2021 — Accepted ※ 18 November 2021 — Issue date; ※ 22 February 2022  
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WEOTEV03 Toward Stoichiometric and Low-Surface-Roughness Nb3Sn Thin Films via Direct Electrochemical Deposition 710
 
  • Z. Sun, G. Gaitan, M. Ge, K. Howard, M. Liepe, T.E. Oseroff, R.D. Porter
    Cornell University (CLASSE), Cornell Laboratory for Accelerator-Based Sciences and Education, Ithaca, New York, USA
  • T. Arias, Z. Baraissov, M.M. Kelley, D.A. Muller, J.P. Sethna, N. Sitaraman
    Cornell University, Ithaca, New York, USA
  • K.D. Dobson
    University of Delaware, Newark, Delaware, USA
 
  Reducing surface roughness and attaining stoichiometry of Nb3Sn superconducting films are required to push their superheating field to the theoretical limit in SRF cavities. As such, we explore direct electrochemical processes that minimize involving foreign elements to deposit high-quality Sn, Nb, and NbxSn films on Nb and Cu surfaces. These films are then thermally annealed to Nb3Sn. We find that smooth Sn pre-depositions via electroplating on Nb surfaces significantly reduce the average roughness of resultant Nb3Sn to 65 nm, with a dramatic reduction in power intensity at medium special frequencies. Structural and superconducting properties demonstrate a Nb3Sn A15 phase with a stoichiometry of 25 at% Sn. This process is being scaled-up to a 3.9 GHz cavity. Moreover, preliminary results on electroplating on Cu surface show that Nb plating undergoes a slow growth rate while subsequent Sn plating on the plated Nb surface can be controlled with varied thickness. The Nb plating process is currently being optimized.  
DOI • reference for this paper ※ https://doi.org/10.18429/JACoW-SRF2021-WEOTEV03  
About • Received ※ 09 July 2021 — Revised ※ 09 August 2021 — Accepted ※ 21 August 2021 — Issue date ※ 16 January 2022
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