Multiscale Modeling and Simulation of Material Processing

Abstract

This project is on the development of scaling laws for multiscale simulations from atomistic to continuum using material testing techniques, such as tension and indentation. The main objective is to address critical issues involved in modeling. Specific problems addressed in this project are: (1) Multiscale simulation from atomistic to continuum via mesoplasticity by coupling molecular dynamics with the material point method in microtensile testing and nanoindentation. (2) Material behavior at nano- and microlevels using an in situ microtensile stage on an atomic force microscope and a nanoindentation system, (3) Multiscale simulation using the generalized interpolation material point method and parallel processing; (4) Combined finite element method and nanoindentation tests to determine material properties of single crystal copper in different orientations, incorporating mesoplastic constitutive laws, (5) Development of accurate and robust potentials from ab initio calculations using Gaussian O3 software, novelty sampling, and feed-forward neural networks (NN); and (6) Monte Carlo-Steepest Descent simulations of nanometric cutting.

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Document Details

Document Type
Technical Report
Publication Date
Jul 01, 2006
Accession Number
ADA471590

Entities

People

  • Hongbing Lu
  • Lionel Raff
  • Ranga Komanduri
  • Samit Roy

Organizations

  • Oklahoma State University–Stillwater

Tags

Communities of Interest

  • Advanced Electronics
  • Energy and Power Technologies
  • Ground and Sea Platforms

DTIC Thesaurus Topics

  • Chemical Reactions
  • Computational Fluid Dynamics
  • Computational Science
  • Crystal Structure
  • Energy Transfer
  • Equations Of Motion
  • Materials Science
  • Materials Testing
  • Mathematical Filters
  • Mechanical Properties
  • Mechanical Working
  • Mechanics
  • Microelectromechanical Systems
  • Molecular Dynamics
  • Multiscale Modeling
  • Parallel Computing
  • Stress Strain Relations

Readers

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

Technology Areas

  • AI & ML
  • AI & ML - Bayesian Inference