424820 The Mechanical Property of Dental Resin Composite Consisting of Bisgma and Tegdma Using Molecular Dynamics Simulations

Monday, November 9, 2015
Exhibit Hall 1 (Salt Palace Convention Center)
Jaeho Shin, Georgia Institute of Technology, Atlanta, GA


                Improvements in dental composite materials, particularly in resin-based filling composite, have modernized the field of dentistry. Dental resin composites, which are tooth-colored materials used as adhesive or restorative materials, have replaced a mercury in dental amalgam filling due to aesthetic appeal. Most dental resin composites are composed of bisphenol-A-glycidyl-dimethacrylate (BisGMA) and triethyleneglycol-dimethacrylate (TEGDMA). Although these are beneficial advances, there are still limitations on the use of composites in dental restoration. Accordingly, our research team have put an increasing effort on researching the mechanical properties of dental composites resins.

               Monomer complex composed of 50:50 BisGMA and TEGDMA was created using Cerius2 and geometry optimization was performed by Jaguar. Molecular dynamic simulation of compression and extension was performed with strain of 50 %. To investigate the effect of timescale, the simulation was performed for 1 nanosecond and 2 nanoseconds.

               As a result of our simulation, significant differences in mechanical properties, such as density, pressure, stress, and radial distribution function (RDF), were observed due to compression and extension. Furthermore, it was demonstrated that TEGDMA was a more flexible structure than BisGMA which contributed more to the deformation of the original resin structure. For our team’s future plan, torsion angle change will be analyzed to further investigate the deformation of the original structure.

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