Tel: +1 (724) 837 1722; Fax: +1 (757) 325-6701
Email: sjvf@nianet.org
Research Interests
- Computational modeling of polymer nanocomposites;
- Implementation of molecular dynamics simulation in multi-scale methods;
- Mechanical and multi-functional properties of polymer nanocomposites;
- Application of nano-materials to traditional fiber reinforced laminates; and
- Modeling of moisture effects at polymer and titanium interfaces.
Education
- Ph.D. in Chemistry (Physical), The Pennsylvania State University, Dec. 1997
- B.S. in Chemistry and Mathematics, Geneva College, May 1991
Current Research
Computational modeling of polymer nanocomposites: The objective of this research is to use first principles calculations, applications of molecular dynamics simulations, and the design of multi-scale methods to determine the effect of nano-structured components of a material on the bulk-level engineering properties. The models explore how to utilize as much atomistic-level detail as possible in the determination of structure-property relationships. Material properties determined include mechanical and thermal properties such as elastic constants and coefficients of thermal expansion. This research is conducted in collaboration with NASA Langley Research Center (LaRC).
Selective addition of carbon nanotubes to carbon fiber reinforced laminates: The objective of this research is to model and characterize at multiple length scales the effect of addition of nano-materials such as carbon nanotubes to traditional carbon fiber laminates. The multi-scale model is hierarchical and models up to the length scale of the lamina. The model currently utilizes molecular dynamics simulation to provide the atomistic length scale, and then other micro-mechanical methods to obtain the lamina properties. Primary focus has been on the thermo-mechanical properties with some efforts to extend the model for the study of fracture. This study is conducted in collaboration with NASA Langley Research Center, Texas A&M University, Army Research Laboratory, and Virginia Tech.
Modeling of moisture effects at polymer and titanium interfaces: The objective of this work is to model the effect of water on the work of adhesion at interfaces using molecular dynamics simulation and first principles computational chemistry techniques. The goals are to calculate the reduction in bond strength at epoxy interfaces, and to identify the chemical and physical effects at the atomistic level that contribute to the weakening of the bond. More in depth computational modeling is underway for the study of complex adhesive systems at titanium interfaces. This research is conducted in collaboration with NASA Langley Research Center.
Recent Publications
P. R. Thakre, D. C. Lagoudas, J. C. Riddick, T. S. Gates, S. J. V. Frankland, J. G. Ratcliffe, J. Zhu, and E. V. Barrera, “Investigation of the Effect of Single-Wall Carbon Nanotubes on the Interlaminar Fracture Toughness of Woven Carbon Fiber-Epoxy Composites,” Journal of Composite Materials, 45, 1091-1107 (2011).
T. C. Clancy, S. J. V. Frankland, and J. A. Hinkley, “Modeling of Interfacial Effects on Thermal Conductivity of Nanocomposites,” International Journal of Thermal Sciences, 49(9), 1555-1560 (2010).
T. C. Clancy, S. J. V. Frankland, J. A. Hinkley, and T. S. Gates, “Molecular Modeling of Mechanical Properties of Epoxies with Moisture Ingress,” Polymer, 50, 2736-2742 (2009).
T. S. Gates, G. M. Odegard, S. J. V. Frankland, and T. C. Clancy, “Computational Materials: Multi-scale Modeling and Simulation of Nanostructured Materials,” Composite Science and Technology, 65, 2416-2434 (2005).
G. M. Odegard, S. J. V. Frankland, and T. S.Gates, “The Effect of Functionalization on the Elastic Properties of Polyethylene Nanotube Composites,” AIAA Journal, 43, 1828-1835 (2005).
E. Saether, S. J. V. Frankland and R. B. Pipes, “Transverse Mechanical Properties of Single-Walled Carbon Nanotube Crystals. Part I: Determination of Elastic Moduli,” Composite Science and Technology, 63, 1543-1550 (2003).
S. J. V. Frankland and V. M. Harik, “Analysis of Carbon Nanotube Pull-out from a Polymer Matrix,” Surface Science Letters, 525, L103-108 (2003).
S. J. V. Frankland, V. M. Harik, G. M. Odegard, D. W. Brenner and T. S. Gates, “The Stress-Strain Behavior of Polymer-Nanotube Composites from Molecular Dynamics Simulation,” Composite Science and Technology, 63, 1655-1661 (2003).
S. J. V. Frankland, A. Caglar, D. W. Brenner and M. Griebel, “Molecular Simulation of the Influence of Chemical Cross-Links on the Shear Strength of Carbon Nanotube-Polymer Interfaces,” Journal of Physical Chemistry B, 106, 3046-3049 (2002).
S. J. V. Frankland and D. W. Brenner, “Hydrogen Raman Shifts in Carbon Nanotubes from Molecular Dynamics Simulation,” Chemical Physics Letters, 334, 18 (2001).