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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ftenpressojs:oai:ojs.systems.enpress-publisher.com:article/2360 2023-10-01T03:58:42+02:00 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. 2023-08-17 application/pdf https://oa.enpress-publisher.com/index.php/JPSE/article/view/2360 https://doi.org/10.24294/jpse.v6i1.2360 eng eng EnPress Publisher LLC https://oa.enpress-publisher.com/index.php/JPSE/article/view/2360/1655 https://oa.enpress-publisher.com/index.php/JPSE/article/view/2360 doi:10.24294/jpse.v6i1.2360 Copyright (c) 2023 M. Maurya, H. Somashekarappa, M. B. Nandaprakash, S. R. Kumaraswamy, K. Hemalatha, R. Somashekar http://creativecommons.org/licenses/by-nc/4.0 Journal of Polymer Science and Engineering; Vol 6, No 1 (2023); 2360 2578-1855 10.24294/jpse.v6i1 UDMA BisGMA dental resin info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion Peer-reviewed Article 2023 ftenpressojs https://doi.org/10.24294/jpse.v6i1.236010.24294/jpse.v6i1 2023-09-06T14:01:36Z 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 Unknown |
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UDMA BisGMA dental resin |
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UDMA BisGMA dental resin 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 |
topic_facet |
UDMA BisGMA dental resin |
description |
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. |
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 LLC |
publishDate |
2023 |
url |
https://oa.enpress-publisher.com/index.php/JPSE/article/view/2360 https://doi.org/10.24294/jpse.v6i1.2360 |
genre |
Orca |
genre_facet |
Orca |
op_source |
Journal of Polymer Science and Engineering; Vol 6, No 1 (2023); 2360 2578-1855 10.24294/jpse.v6i1 |
op_relation |
https://oa.enpress-publisher.com/index.php/JPSE/article/view/2360/1655 https://oa.enpress-publisher.com/index.php/JPSE/article/view/2360 doi:10.24294/jpse.v6i1.2360 |
op_rights |
Copyright (c) 2023 M. Maurya, H. Somashekarappa, M. B. Nandaprakash, S. R. Kumaraswamy, K. Hemalatha, R. Somashekar http://creativecommons.org/licenses/by-nc/4.0 |
op_doi |
https://doi.org/10.24294/jpse.v6i1.236010.24294/jpse.v6i1 |
_version_ |
1778531707232714752 |