Date of this Version
Physical Review Letters
A synergistic high-resolution electron microscopy (HREM) and theoretical analysis of the structure of a grain boundary in copper containing bismuth is presented. The calculation of the structure of the boundary were carried out using N-body empirical potentials constructed using results of ab initio full-potential linear-muffin-tin-orbital calculations. Excellent agreement between the calculated and observed structures is shown by comparing a through-focal series of observed and calculated images. It is shown for the first time that HREM combined with computer modeling employing realistic empirical potentials can decipher with a great accuracy the structure of boundaries containing multiple atomic species.
©1991 American Physical Society. All rights reserved.
Luzzi, D. E., Yan, M., Šob, M., & Vitek, V. (1991). Atomic Structure of a Grain Boundary in a Metallic Alloy: Combined Electron Microscope and Theoretical Study. Physical Review Letters, 67 (14), 1894-1897. http://dx.doi.org/10.1103/PhysRevLett.67.1894
Date Posted: 25 May 2016
This document has been peer reviewed.