Computational modeling

Advances in computing power and software offer the potential to design, synthesize, characterize and test materials in a virtual setting. These capabilities enable accelerated development and optimization of new materials across a range of applications. The Department's long-term investment in this vision has produced one of the leading programs in computational materials science and engineering. This is evidenced by:

  • A large core facility offering comprehensive coverage of advanced techniques
  • Access to world-class computing facilities, including the Ohio Supercomputing Center
  • A rich experimental environment to motivate and challenge computational research
  • Graduate core and elective courses in computational modeling and simulation

The Department's recent computational materials science and engineering research efforts include:

Materials Synthesis:

  • solidification and additive manufacturing of metals and alloys (finite difference, finite element and cellular automation)
  • phase transformations during non-equilibrium processing (phase field)
  • microstructural evolution in aerospace materials (phase field)
  • microstructure evolution during joining (computational thermodynamics & kinetics)
  • texture evolution during grain growth (phase field)

Characterization and Defect Structure:

  • interaction of dislocations with interfaces (atomistic, Peierls, phase field)
  • dislocation evolution in nanoscale materials (dislocation dynamics)

Biological and Polymeric Materials:

  • mechanical analysis for medical device design (e.g., stiffness matching)
  • medical device resorption/corrosion
  • fabrication process modeling
  • deformation of polymer scaffolds for engineered tissue (finite element)

Electronic Materials:

  • process and device modeling (atomistics)
  • texture development in sputtering targets (finite element)

Nuclear Materials:

  • damage creation and annealing in irradiated materials (atomistics, Monte Carlo)
  • effect of damage on mechanical and functional properties (continuum)

Structural Materials:

  • deformation mechanisms in nanocrystalline metals (phase field, finite element)
  • thermo-mechanical response of shape memory alloys (finite element)
  • metal forming and springback (finite element)

These faculty members specialize in computational materials science research.

headshot of Peter Anderson ABET Undergraduate coordinator at Ohio State MSE Department
Peter Anderson
photo of Dr. David Dean Osteo Engineering Lab Ohio State
David Dean
photo of Hamish Fraser
Hamish Fraser
photo of Maryam Ghazisaeidi, Ohio State
Maryam Ghazisaeidi
Alan Luo
David McComb, Ohio State
David McComb
photo of Steven Niezgoda OSU faculty
Steve Niezgoda
Yunzhi Wang
Wolfgang Windl
Categories: ResearchFaculty