Author: Carlson, J.M.
Paper Title Page
MOP010 Ab Initio Calculations on the Growth and Superconducting Properties of Nb3Sn 39
SUSP023   use link to see paper's listing under its alternate paper code  
  • N. Sitaraman, T. Arias, P. Cueva, M.M. Kelley, D.A. Muller
    Cornell University, Ithaca, New York, USA
  • J.M. Carlson, A.R. Pack, M.K. Transtrum
    Brigham Young University, Provo, 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 research was funded by the Center for Bright Beams.
In this work, we employ theoretical ab initio techniques to solve mysteries and gain new insights in Nb3Sn SRF physics. We determine the temperature dependence of Nb3Sn antisite defect formation energies, and discuss the implications of these results for defect segregation. We calculate the phonon spectral function for Nb3Sn cells with different combinations of antisite defects and use these results to determine Tc as a function of stoichiometry. These results allow for the first-ever determination of Tc in the tin-rich regime, where experimental measurements are unavailable and which is critical to understanding the impact of tin-rich grain boundaries on superconducting cavity performance. Finally, we propose a theory for the growth mechanism of Nb3Sn growth on a thick oxide, explaining the puzzling disappearing droplet behavior of Sn on Nb oxide and suggesting how in general an oxide layer reacts with Sn to produce a uniform Nb3Sn layer.
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About • paper received ※ 02 July 2019       paper accepted ※ 03 July 2019       issue date ※ 14 August 2019  
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