Kinetic Monte Carlo Modeling of Nanomechanics in Amorphous Systems

Chapter
Part of the Springer Series in Materials Science book series (SSMATERIALS, volume 245)

Abstract

The nanomechanics of amorphous systems span significant time and length scales that are difficult to access. Shear transformation zone (STZ) dynamics is a mesoscale approach that combines the kinetic Monte Carlo (kMC) algorithm with coarse-graining techniques to bridge the relevant time and length scales associated with deformation in these systems. This work discusses the fundamental details of these scale bridging techniques as well as their specific application in the STZ dynamics framework. The modeling framework is applied in various scenarios to demonstrate the versatility of the mesoscale approach. These applications include: (1) simulating the overall deformation behaviors of amorphous metals, (2) investigating the influence of thermomechanical processing by tracking a structural state variable, excess free volume, (3) assessing the nanomechanics that lead to shear banding in amorphous metals, (4) elucidating structural evolution that occurs during nanoindentation, and (5) examining the influence of various microstructural factors that influence the mechanical properties of metallic glass matrix (MGM) composites.

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Copyright information

© Springer International Publishing Switzerland 2016

Authors and Affiliations

  1. 1.Department of Mechanical EngineeringBrigham Young UniversityProvoUSA
  2. 2.Department of Metallurgical and Materials EngineeringUniversity of AlabamaTuscaloosaUSA
  3. 3.Department of Materials Science and EngineeringMassachusetts Institute of TechnologyCambridgeUSA

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