Modeling the Deformation of Engineered Nano-Layered Structures by Computer Simulations

Abstract

We developed here fundamental models of plasticity, based on dislocation dynamics and atomistic computer simulation methods for the prediction of the strength and plastic deformation at the nano-to-micro-length scales. The models are applied to the simulation of plastic flow in ultra-strong nano-laminates. The developed methods are: (1) An ab-initio based hybrid approach based on an extension of the parametric dislocation dynamics (DD) to bi-materials where the dislocation spreading over the interface is explicitly accounted; (2) a hybrid ab initio-discrete dislocation dynamics model to study the core structure in straight and curved dislocations, with application to single layers and across material interfaces; (3) Molecular dynamics (MD) modeling of dislocation motion and deformation in nano-layered composite materials and twins; and (4) Dislocation Dynamics (DD) modeling of dislocation motion and deformation modes of anisotropic, nano-layered composite materials.

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Document Details

Document Type
Technical Report
Publication Date
Dec 01, 2006
Accession Number
ADA470206

Entities

People

  • Nasr M. Ghoniem
  • Nick Kioussis

Organizations

  • University of California, Los Angeles

Tags

Communities of Interest

  • Advanced Electronics
  • Air Platforms
  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Computational Science
  • Computer Simulations
  • Computers
  • Density Functional Theory
  • Elastic Properties
  • Films
  • Flow
  • Materials
  • Materials Science
  • Mechanical Properties
  • Physical Properties
  • Plastic Deformation
  • Plastic Flow
  • Plastic Properties
  • Simulations
  • Thin Films
  • Three Dimensional

Readers

  • Computational Fluid Dynamics (CFD)
  • Materials Science and Engineering.