Molecular dynamic study of abrasive wear, viscosity and moduli of UDMA: A component of dental composite
Among the dental composites, Urethane Dimethacrylate (UDMA) is commonly used as a component in treating oral complications. Many molecular dynamics approaches are used to understand the behaviour of the material at room temperature as well as at higher temperatures to get a better insight after comp...
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crenpresspubl:10.24294/jpse.v6i1.2360 2024-05-19T07:46:47+00:00 Molecular dynamic study of abrasive wear, viscosity and moduli of UDMA: A component of dental composite Maurya, M. Somashekarappa, H. Nandaprakash, M. B. Kumaraswamy, S. R. Hemalatha, K. Somashekar, R. 2023 http://dx.doi.org/10.24294/jpse.v6i1.2360 https://systems.enpress-publisher.com/index.php/JPSE/article/viewFile/2360/1655 unknown EnPress Publisher http://creativecommons.org/licenses/by-nc/4.0 Journal of Polymer Science and Engineering volume 6, issue 1, page 2360 ISSN 2578-1855 journal-article 2023 crenpresspubl https://doi.org/10.24294/jpse.v6i1.2360 2024-05-01T06:47:51Z Among the dental composites, Urethane Dimethacrylate (UDMA) is commonly used as a component in treating oral complications. Many molecular dynamics approaches are used to understand the behaviour of the material at room temperature as well as at higher temperatures to get a better insight after comparison with experimental values at the atomic level. There are three critical physical properties associated with these components like abrasive wear, viscosity and moduli which play an essential role in determining the treatment and can be computed using Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS), general-purpose quantum chemistry program package (ORCA) and General Utility Lattice Program (GULP) molecular dynamics methods. Radial distribution function plot is generated using visual molecular dynamics (VMD) for UDMA and BisGMA. A comparison of these parameters with BisGMA, another component of dental composite along with experimental results is carried out in the present investigation. Further, since radiation also matters for settling the materials in dental treatment, we have computed absorption spectra from 200 nm to 800 nm region using LAMMPS/ORCA. Article in Journal/Newspaper Orca EnPress Publisher Journal of Polymer Science and Engineering 6 1 2360 |
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Among the dental composites, Urethane Dimethacrylate (UDMA) is commonly used as a component in treating oral complications. Many molecular dynamics approaches are used to understand the behaviour of the material at room temperature as well as at higher temperatures to get a better insight after comparison with experimental values at the atomic level. There are three critical physical properties associated with these components like abrasive wear, viscosity and moduli which play an essential role in determining the treatment and can be computed using Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS), general-purpose quantum chemistry program package (ORCA) and General Utility Lattice Program (GULP) molecular dynamics methods. Radial distribution function plot is generated using visual molecular dynamics (VMD) for UDMA and BisGMA. A comparison of these parameters with BisGMA, another component of dental composite along with experimental results is carried out in the present investigation. Further, since radiation also matters for settling the materials in dental treatment, we have computed absorption spectra from 200 nm to 800 nm region using LAMMPS/ORCA. |
format |
Article in Journal/Newspaper |
author |
Maurya, M. Somashekarappa, H. Nandaprakash, M. B. Kumaraswamy, S. R. Hemalatha, K. Somashekar, R. |
spellingShingle |
Maurya, M. Somashekarappa, H. Nandaprakash, M. B. Kumaraswamy, S. R. Hemalatha, K. Somashekar, R. Molecular dynamic study of abrasive wear, viscosity and moduli of UDMA: A component of dental composite |
author_facet |
Maurya, M. Somashekarappa, H. Nandaprakash, M. B. Kumaraswamy, S. R. Hemalatha, K. Somashekar, R. |
author_sort |
Maurya, M. |
title |
Molecular dynamic study of abrasive wear, viscosity and moduli of UDMA: A component of dental composite |
title_short |
Molecular dynamic study of abrasive wear, viscosity and moduli of UDMA: A component of dental composite |
title_full |
Molecular dynamic study of abrasive wear, viscosity and moduli of UDMA: A component of dental composite |
title_fullStr |
Molecular dynamic study of abrasive wear, viscosity and moduli of UDMA: A component of dental composite |
title_full_unstemmed |
Molecular dynamic study of abrasive wear, viscosity and moduli of UDMA: A component of dental composite |
title_sort |
molecular dynamic study of abrasive wear, viscosity and moduli of udma: a component of dental composite |
publisher |
EnPress Publisher |
publishDate |
2023 |
url |
http://dx.doi.org/10.24294/jpse.v6i1.2360 https://systems.enpress-publisher.com/index.php/JPSE/article/viewFile/2360/1655 |
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Orca |
genre_facet |
Orca |
op_source |
Journal of Polymer Science and Engineering volume 6, issue 1, page 2360 ISSN 2578-1855 |
op_rights |
http://creativecommons.org/licenses/by-nc/4.0 |
op_doi |
https://doi.org/10.24294/jpse.v6i1.2360 |
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Journal of Polymer Science and Engineering |
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6 |
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1 |
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2360 |
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1799487023450423296 |