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We present quantum-based simulations of single grain boundary reflectivity of electrons in metals, Cu and Ag. We examine twin and non-twin grain boundaries using non-equilibrium Green's function and first principles methods. We also…

Mesoscale and Nanoscale Physics · Physics 2010-06-18 Baruch Feldman , Seongjun Park , Michael Haverty , Sadasivan Shankar , Scott T. Dunham

Single grain, (RE)BCO bulk superconductors in large or complicated geometries are required for a variety of potential applications, such as motors and generators and magnetic shielding devices. As a result, top, multi-seeded, melt growth…

Superconductivity · Physics 2015-06-11 Yunhua Shi , John H. Durrell , Anthony R. Dennis , David A. Cardwell

Grain boundaries dramatically affect the properties of polycrystalline materials because of differences in atomic configuration. To fully understand the relationship between grain boundaries and materials properties, systematic studies of…

Materials Science · Physics 2021-01-19 Shin Kiyohara , Tomohiro Miyata , Teruyasu Mizoguchi

We report a computational discovery of novel grain boundary structures and multiple grain boundary phases in elemental bcc tungsten. While grain boundary structures created by the \gamma-surface method as a union of two perfect half…

Materials Science · Physics 2017-11-21 T. Frolov , W. Setyawan , R. J. Kurtz , J. Marian , A. R. Oganov , R. E. Rudd , Q. Zhu

Grain boundaries in epitaxial graphene on the SiC(000$\bar{1}$) substrate are studied using scanning tunneling microscopy and spectroscopy. All investigated small-angle grain boundaries show pronounced out-of-plane buckling induced by the…

We have performed a detailed study of the tunneling spectra of bicrystal grain boundary junctions (GBJs) fabricated from the HTS YBCO, BSCCO, LSCO, and NCCO. In all experiments the tunneling direction was along the CuO planes. With the…

Superconductivity · Physics 2009-10-31 L. Alff , A. Beck , R. Gross , A. Marx , S. Kleefisch , Th. Bauch , H. Sato , M. Naito , G. Koren

For more than 30 years, the remarkable superconducting properties of REBa$_\textrm{2}$Cu$_\textrm{3}$O$_\textrm{7-x}$ (RE = rare earth) compounds have triggered research studies across the world. Accordingly, significant progresses have…

Superconductivity · Physics 2018-12-11 A. Fête , C. Senatore

Grain boundaries have extensive influence on the performance of crystal materials. However, the atomic-scale structure and its relation with local and crystallographic symmetries remain elusive in low-symmetry crystals. Herein, we find that…

Materials Science · Physics 2024-09-24 Yuchao Yan , Yingying Liu , Ziyi Wang , Da Liu , Xu Gao , Yan Wang , Cheng Li , KeKe Ma , Ning Xia , Zhu Jin , Tianqi Deng , Hui Zhang , Deren Yang

Low-angle grain boundaries with misorientation angles theta < 5 degrees in optimally doped thin films of YBCO are investigated by magnetooptical imaging. By using a numerical inversion scheme of Biot-Savart's law the critical current…

Superconductivity · Physics 2009-10-31 J. Albrecht , S. Leonhardt , H. Kronmueller

The critical current (Jc) of highly twinned YBa2Cu3O7 films has been measured as a function of temperature, magnetic field and angle. For much of the parameter space we observe a strong suppression of Jc for fields in the twin boundary (TB)…

Grain boundaries facet due to anisotropic grain boundary energies: While the faceted boundary has a larger area than the corresponding straight boundary, a significantly lower energy of the facets compared to a straight segment can drive…

Materials Science · Physics 2025-09-25 Yoonji Choi , Tobias Brink

The grain boundary network of nanocrystalline Cu foils was modified by the systematic application of cyclic loadings and elevated temperatures having a range of magnitudes. Most broadly, the changes to the boundary network were directly…

Materials Science · Physics 2019-02-20 David B. Bober , Thomas LaGrange , Mukul Kumar , Timothy J. Rupert

The dependence of the critical current density Jc on hydrostatic pressure to 0.6 GPa is determined for a single 25-degree [001]-tilt grain boundary in a bicrystalline ring of nearly optimally doped melt-textured YBa2Cu3Ox. Jc is found to…

Superconductivity · Physics 2009-11-11 T. Tomita , J. S. Schilling , L. Chen , B. W. Veal , H. Claus

We present a systematic trend study of the symmetric tilt grain boundaries about the <110> axis in molybdenum. Our results show that multiple structural phases, some incorporating vacancies, compete for the boundary ground state. We find…

Materials Science · Physics 2007-05-23 D. Yesilleten , T. A. Arias

The normal state optical conductivity is calculated for a layered metal with two layers per unit cell coupled through a transverse hopping matrix element $t_\perp$. The optical response involves an interband term in addition to the more…

Condensed Matter · Physics 2009-10-28 W. A. Atkinson , J. P. Carbotte

Systematic microstructure design requires reliable thermodynamic descriptions of each and all microstructure elements. While such descriptions are well established for most bulk phases, thermodynamic assessment of crystal defects is…

Materials Science · Physics 2021-07-02 Reza Darvishi Kamachali

A continuum grain boundary model is developed that uses experimentally measured grain boundary energy data as a function of misorientation to simulate idealized grain boundary evolution in a 1-D grain array. The model uses a continuum…

Materials Science · Physics 2024-01-29 Syed Ansari , Amit Acharya , Alankar Alankar

In this paper, we present a detailed investigation of the self-field transport properties of an ionic liquid gated ultra-thin YBa$_2$Cu$_3$O$_{7-x}$ film. From the high temperature dynamic of the resistivity ($> 220 \textrm{ K}$) different…

Superconductivity · Physics 2016-11-17 A. Fête , L. Rossi , A. Augieri , C. Senatore

We report systematic studies of AC magnetic susceptibility and transport properties of Y(1-x)Ca(x)Ba2Cu3Oz bulk samples with 0\leq x\leq 0.4. Single phase materials, reduction of carrier concentration and decrease of Tc to 85 K were…

Superconductivity · Physics 2015-06-24 E. K. Nazarova , A. J. Zaleski , A. L. Zahariev , A. K. Stoyanova-Ivanova , K. N. Zalamova

Faceted grain boundaries, where grain boundary area is increased in the name of producing low-energy segments, can exhibit new and unexpected migration trends. For example, several faceted $\Sigma$3 boundaries have demonstrated anti-thermal…

Materials Science · Physics 2020-06-24 Megan J. McCarthy , Timothy J. Rupert