References
- Boyce MC, Parks DM, Argon AS. Large inelastic deformation of glassy polymers. I. Rate dependent constitutive model. Mech Mater. 1988;7:15–33.
- Heinz SR, Wiggins JS. Uniaxial compression analysis of glassy polymer networks using digital image correlation. Polym Test. 2010;29:925–932.
- Canal LP, Segurado J, LLorca J. Failure surface of epoxy-modified fiber-reinforced composites under transverse tension and out-of-plane shear. Int J Solids Struct. 2009;46:2265–2274.
- Lettieri M, Frigione M. Effects of humid environment on thermal and mechanical properties of a cold-curing structural epoxy adhesive. Constr Build Mater. 2012;30:753–760.
- Oral I, Guzel H, Ahmetli G. Determining the mechanical properties of epoxy resin (DGEBA) composites by ultrasonic velocity measurement. J Appl Polym Sci. 2013;127:1667–1675.
- Komanduri R, Chandrasekaran N, Raff L. Molecular dynamic simulations of uniaxial tension at nanoscale of semiconductor materials for micro-electro-mechanical systems (mems) applications. Mat Sci Eng A Struct. 2003;340:58–67.
- Lee SG, Brunello GF, Jang SS, Bucknall DG. Molecular dynamics simulation study of p (vp-co-hema) hydrogels: effect of water content on equilibrium structures and mechanical properties. Biomaterials. 2009;30:6130–6141.
- Gautieri A, Buehler MJ, Redaelli A. Deformation rate controls elasticity and unfolding pathway of single tropocollagen molecules. J Mech Behav Biomed. 2009;2:130–137.
- Davoodi J, Ahmadi M, Rafii-Tabar H. Molecular dynamics simulation study of thermodynamic and mechanical properties of the Cu–Pd random alloy. Mat Sci Eng A Struct. 2010;527:4008–4013.
- Yin J, Zhao YP. Molecular dynamics simulation of adhesion forces in a dipalmitoylphosphatidylcholine membrane. Surf Rev Lett. 2007;14:671–675.
- Yin J, Zhao YP. Hybrid qm/mm simulation of the hydration phenomena of dipalmitoylphosphatidylcholine headgroup. J Colloid Interf Sci. 2009;329:410–415.
- Zhao YP. Physical mechanics of surfaces and interfaces. Beijing: Science Press; 2012.
- Clancy TC, Frankland SJV, Hinkley JA, Gates TS. Molecular modeling for calculation of mechanical properties of epoxies with moisture ingress. Polymer. 2009;50:2736–2742.
- Nouri N, Ziaei-Rad S. A molecular dynamics investigation on mechanical properties of cross-linked polymer networks. Macromolecules. 2011;44:5481–5489.
- Li C, Strachan A. Molecular dynamics predictions of thermal and mechanical properties of thermoset polymer EPON862/DETDA. Polymer. 2011;52:2920–2928.
- Izumi A, Nakao T, Shibayama M. Atomistic molecular dynamics study of cross-linked phenolic resins. Soft Matter. 2012;8:5283–5292.
- Yang S, Qu J. Computing thermomechanical properties of crosslinked epoxy by molecular dynamic simulations. Polymer. 2012;53:4806–4817.
- Moller JC, Barr SA, Schultz EJ, Breitzman TD, Berry RJ. Simulation of fracture nucleation in cross-linked polymer networks. JOM. 2013;65:147–167.
- Sundararaghavan V, Kumar A. Molecular dynamics simulations of compressive yielding in cross-linked epoxies in the context of argon theory. Int J Plasticity. 2013;47:111–125.
- Materials Studio, 2013, Accelrys, Inc. Available from:http://www.accelrys.com/products/mstudio/.
- Xin D, Han Q. Investigation of moisture diffusion in cross-linked epoxy moulding compound by molecular dynamics simulation. Mol Simul. 2013;39:322–329.
- Sun H. Compass: an ab initio force-field optimized for condensed-phase applications overview with details on alkane and benzene compounds. J Phys Chem B. 1998;102:7338–7364.
- Andersen HC. Molecular dynamics simulations at constant pressure and/or temperature. J Chem Phys. 1980;72:2384–2393.
- Berendsen H, Postma J, van Gunsteren W, DiNola A, Haak J. Molecular dynamics with coupling to an external bath. J Chem Phys. 1984;81:3684–3690.
- Tsai D. The virial theorem and stress calculation in molecular dynamics. J Chem Phys. 1979;70:1375–1382.