J. David Schall, Assistant Professor Ph.D., North Carolina State University (248) 370-2870 Dept. of Mechanical Engineering Oakland University 130 DHE Rochester, MI 48309 schall 2 @ oakland dot edu Department Home Page

Research Interests

Research interests include the prediction of the structure, mechanical, thermal, and electronic properties of advanced materials using atomistic simulation and hybrid multiscale modeling approaches.

Current projects include:

• Thermal and tribological properties of Nanofluid materials.
• Modeling cyclic fatigue in iron in the presence of hydrogen.
• Mechanical and tribological properties of Si-doped amorphous carbon.
• Polymeric Materials and Recyclablity.

Past areas of application have included:

• Friction and tribochemistry of hard coatings
• Structure and mechanical properties of diamond-like carbon films
• Fullerene-based materials and nanocomposites
• Interatomic potential fitting

For a more information, please see the following research summary.

Join our group: A position is available for a graduate student. The project has been funded by NSF (3 years of funding) and will investigate the effect of environment on friction and wear properties of diamond-like carbon. We may also look into graphene epitaxial growth. The proposed work is largely a computational study and involves porting some subroutines written in fortran into a parallel code (LAMMPS) written in C++, MPI, and openMP. The student will gain valuable experience in high performance computing, algorithm development, and computational materials science. Please contact Prof. Schall for details.

Selected publications

J. D. Schall, G.T. Gao, and J.A. Harrison, Elastic constants of silicon materials calculated as a function of temperature using a parametrization of the second-generation reactive empirical bond-order potential, Phys. Rev. B., 77, 115209, (2008).

J.D. Schall, C.W. Padgett, D.W. Brenner Ad Hoc Continuum-Atomistic Thermostat for Modeling Heat Flow in Molecular Dynamics Simulations, Molecular Simulation, 31, 283, (2005).

J.D. Schall, D.W. Brenner, Atomistic Simulation of the Influence of Pre-existing Stress on the Interpretation of Nanoindentation Data, J. Mater. Res. 19, 3172 (2004).

* Material contained herein is made available for the purpose of peer review and discussion and does not necessarily reflect the views of the Oakland University.