Molecular-Mechanics-Based Nanomechanics
We develop molecular-mechanics-based finite elements for carbon nanostructures, which allow efficient simulation of nanotubes and graphene at a fraction of the cost of atomistic methods. The models include electromechanical coupling and fracture, and link to multi-scale models of nanocomposites.
- Finite elements for carbon nanotubes and graphene
- Related Publication(s):
T. C. Theodosiou, D. A. Saravanos, “Molecular Mechanics Based Finite Element for Carbon Nanotube Modeling”, CMES: Computer Modeling in Engineering & Sciences, 19(2), 121–134, 2007.
T. C. Theodosiou, D. A. Saravanos, “Molecular Mechanics Simulations of Graphene using Finite Elements”, European Journal of Computational Mechanics, 22(1), 72–90, 2013.
- Related Publication(s):
- Electromechanical coupling and piezoresistivity
- Related Publication(s):
T. C. Theodosiou, D. A. Saravanos, “Numerical Modeling of Single-Wall Carbon Nanotubes Electro-mechanical Coupling Effects Using Nanoscale Models”, Journal of Intelligent Material Systems and Structures, 20(14), 1649–1661, 2009.
T. C. Theodosiou, D. A. Saravanos, “Numerical investigation of mechanisms affecting the piezoresistive properties of CNT-doped polymers using multi-scale models”, Composites Science and Technology, 70(9), 1312–1320, 2010.
- Related Publication(s):
- Fracture and multi-scale graphene models
- Related Publication(s):
T. C. Theodosiou, D. A. Saravanos, “Numerical Simulation of Graphene Fracture Using Molecular Mechanics Based Nonlinear Finite Elements”, Computational Materials Science, 82, 56–65, 2014.
T. C. Theodosiou, C. Galiotis, D. A. Saravanos, “Phenomenological Multiscale Finite Element for Single Layer Graphene”, Computational Materials Science, 115, 125–136, 2016.
- Related Publication(s):
Applications
- Mechanical and electromechanical properties of nanotubes and graphene
- Nanocomposite sensors
- Strength and fracture of nanostructures
- Multi-scale modeling of nanoreinforced materials