Computational study of BisGMA: A component of dental resin material

M. Maurya, G. Thejas Urs, R. Kumarswamy S.â and R. Somashekar
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M. Maurya: Department of Social Dentist, JSS Dental College and Hospital, JSS Academy of Higher Education and Research, Mysuru 570020, Karnataka, India
G. Thejas Urs: Department of Physics, PES College of Engineering, Mandya 571401, Karnataka, India
R. Kumarswamy S.â: Department of Physics, Maharani’s Science College for Women, Mysuru 570006, Karnataka, India
R. Somashekar: Department of Physics and Materials Science, University of Mysore, Mysuru 570006, Karnataka, India

International Journal of Modern Physics C (IJMPC), 2024, vol. 35, issue 06, 1-10

Abstract: BisGMA, a crucial component of dental resin widely employed in oral care, undergoes an in-depth computational investigation in this study. Employing advanced computational tools such as Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) and General Utility Lattice Program (GULP), we explore a wide range of physical parameters. These encompass the stress–strain variations, Young’s and linear moduli, pair distribution functions, RMSD trajectory analysis, enthalpy, entropy, elastic constants, self-energy, zero-point energy and optical and dielectric constants. This multifaceted analysis enhances our understanding on intricate correlation of this material, offering insights that are frequently challenging to obtain.

Keywords: BisGMA; dental resin (search for similar items in EconPapers)
Date: 2024
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DOI: 10.1142/S0129183124500669

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