Structural Calculations for Amorphous Systems Using Structural Diffusion Model

Abstract

We present the results of calculations of the structure factor S(k) and the pair distribution function g(r) for amorphous Iron, Cobalt and Nickel using Structural Diffusion Model (SDM). With the choice of local lattice structure made in this work, the agreement between the calculated and experimental 5(k) and g(r) is reasonably good. We suggest that the most promising procedure to choose the local lattice for Structural Diffusion Model calculation of the amorphous systems studied in this work is to start with the fcc crystallographic unit cell.

Open PDF

Document Details

Document Type
Technical Report
Publication Date
Jun 01, 2001
Accession Number
ADP011556

Entities

People

  • I. Oruc
  • N. Talip
  • S. Dalgyc

Organizations

  • Trakya University

Tags

DTIC Thesaurus Topics

  • Advanced Materials
  • Amorphous Materials
  • Cells
  • Computational Science
  • Computer Simulations
  • Diffraction
  • Diffusion
  • Distribution Functions
  • Electron Diffraction
  • Experimental Data
  • Neutron Scattering
  • Optimization
  • Scattering
  • Simulations
  • Thin Films
  • X Ray Scattering
  • X Rays

Readers

  • Computational Modeling and Simulation
  • Materials Science and Engineering.
  • Quantum Chemistry