Departmental Papers (MSE)

Document Type

Journal Article

Date of this Version

9-30-1991

Publication Source

Physical Review Letters

Volume

67

Issue

14

Start Page

1894

Last Page

1897

DOI

10.1103/PhysRevLett.67.1894

Abstract

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.

Copyright/Permission Statement

©1991 American Physical Society. All rights reserved.

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Date Posted: 25 May 2016

This document has been peer reviewed.