Atomistic and microstructural modeling in aluminum cast alloy applications

Christopher M. Wolverton*

*Corresponding author for this work

Research output: Chapter in Book/Report/Conference proceedingConference contribution


The role of atomic-scale computations in the Integrated Computational Materials Science methodology applied to Al castings at Ford will be described. First-Principles atomic-scale computational methods are becoming increasingly used in industry due to their predictive power. However, their computational complexity often limits their use to relatively simple systems. Hence, we have focused on coupling first-principles methods with other computational approaches such as phase-field microstructural evolution models, computational thermodynamics or CALPHAD methods, and cluster expansion methods and kinetic Monte Carlo. The resulting combined models have been applied to alloys in the Al-Si-Cu-Mg system, and applications to precipitation, heat treatment, mi-crostructural evolution, and yield strength have proved fruitful.

Original languageEnglish (US)
Title of host publicationSimulation of Aluminum Shape Casting Processing
Subtitle of host publicationFrom Alloy Design to Mechanical Properties
Number of pages1
StatePublished - May 18 2006
Event2006 TMS Annual Meeting - San Antonio, TX, United States
Duration: Mar 12 2006Mar 16 2006

Publication series

NameTMS Annual Meeting


Other2006 TMS Annual Meeting
Country/TerritoryUnited States
CitySan Antonio, TX

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Mechanics of Materials
  • Metals and Alloys


Dive into the research topics of 'Atomistic and microstructural modeling in aluminum cast alloy applications'. Together they form a unique fingerprint.

Cite this