Accession Number:

AD1006934

Title:

A Multiscale Approach for Complex Functional Materials and Nanostructure

Descriptive Note:

Technical Report,01 Jul 2012,31 Dec 2015

Corporate Author:

CARNEGIE MELLON UNIVERSITY PITTSBURGH United States

Personal Author(s):

Report Date:

2016-04-01

Pagination or Media Count:

17.0

Abstract:

The research objective of this grant is to develop and apply new multiscale methods for complex nanostructures and functional materials. The technical strategy is based on a systematic framework that generalizes crystalline materials using isometry groups the Objective Structures framework introduced by R D James. In particular, the research includes work that built on, and went beyond, work from a few years ago that developed and applied this framework to perfect nanostructures to inhomogeneous and or defected nanostructures. Some key results include1 the study of the analogy of lattice dynamics in slender nanostructures, and in particular the possibility of tuning the wave speeds through externalloads.2 the development of multiscale methods for quantum mechanical electronic structure of the scattering process at crystalline defects using non-reflecting boundary conditions, and the extension of this method to non-crystalline nanostructures

Subject Categories:

  • Electrical and Electronic Equipment
  • Crystallography

Distribution Statement:

APPROVED FOR PUBLIC RELEASE