Molecular Dynamics Simulations of Simplified Sodium Borosilicate Glasses: The Effect of Composition on Structure and Dynamics

2021 ◽  
Author(s):  
Pooja Sahu ◽  
Musharaf Ali ◽  
K. T. Shenoy ◽  
Sadhana Mohan ◽  
Arvind Ananthanarayanan ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Nuclear Waste ◽  
Material Properties ◽  
Borosilicate Glasses ◽  
Structure And Dynamics ◽  
Waste Immobilization ◽  
Nuclear Waste Immobilization ◽  
Dynamics Simulations

Fusion of valuable material properties has lent the acceptance of sodium borosilicate (NBS) glasses for nuclear waste immobilization. In spite of popularity, the mechanisms associated to these properties are yet...

scholarly journals Nanoengineering in biomedicine: Current development and future perspectives

2020 ◽  
Vol 9 (1) ◽  
pp. 700-715 ◽  
Author(s):  
Wei Jian ◽  
David Hui ◽  
Denvid Lau
Keyword(s):  
Molecular Dynamics ◽  
Research And Development ◽  
Molecular Dynamics Simulations ◽  
Material Properties ◽  
Biomedical Applications ◽  
Metallic Materials ◽  
Future Perspectives ◽  
Current Development ◽  
Materials Used ◽  
Dynamics Simulations

AbstractRecent advances in biomedicine largely rely on the development in nanoengineering. As the access to unique properties in biomaterials is not readily available from traditional techniques, the nanoengineering becomes an effective approach for research and development, by which the performance as well as the functionalities of biomaterials has been greatly improved and enriched. This review focuses on the main materials used in biomedicine, including metallic materials, polymers, and nanocomposites, as well as the major applications of nanoengineering in developing biomedical treatments and techniques. Research that provides an in-depth understanding of material properties and efficient enhancement of material performance using molecular dynamics simulations from the nanoengineering perspective are discussed. The advanced techniques which facilitate nanoengineering in biomedical applications are also presented to inspire further improvement in the future. Furthermore, the potential challenges of nanoengineering in biomedicine are evaluated by summarizing concerned issues and possible solutions.

scholarly journals Membrane potential and dynamics in a ternary lipid mixture: insights from molecular dynamics simulations

2018 ◽  
Vol 20 (23) ◽  
pp. 15841-15851 ◽  
Author(s):  
Xubo Lin ◽  
Vinay Nair ◽  
Yong Zhou ◽  
Alemayehu A. Gorfe
Keyword(s):  
Molecular Dynamics ◽  
Membrane Potential ◽  
Molecular Dynamics Simulations ◽  
Transmembrane Potential ◽  
Lipid Mixture ◽  
Structure And Dynamics ◽  
Head Groups ◽  
Acyl Chains ◽  
Dynamics Simulations

Transmembrane potential modulates the structure and dynamics of lipid head-groups and acyl chains.

Structure and dynamics of gold nanoparticles decorated with chitosan–gentamicin conjugates: ReaxFF molecular dynamics simulations to disclose drug delivery

2019 ◽  
Vol 21 (24) ◽  
pp. 13099-13108 ◽  
Author(s):  
Susanna Monti ◽  
Jiya Jose ◽  
Athira Sahajan ◽  
Nandakumar Kalarikkal ◽  
Sabu Thomas
Keyword(s):  
Drug Delivery ◽  
Molecular Dynamics ◽  
Gold Nanoparticles ◽  
Molecular Dynamics Simulations ◽  
Atomic Scale ◽  
Functionalized Gold Nanoparticles ◽  
Structure And Dynamics ◽  
Antibiotic Drug ◽  
Dynamics Simulations

Functionalized gold nanoparticles for antibiotic drug delivery: from the nanoscale to the atomic scale.

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