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Computational investigation of graphene behavior under differential water pressure and possible mass transfer influences

Jafari, S ; Sharif University of Technology | 2016

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  1. Type of Document: Article
  2. DOI: 10.1115/MNHMT2016-6571
  3. Publisher: American Society of Mechanical Engineers , 2016
  4. Abstract:
  5. Because of its unique properties, graphene has attracted the attentions of many academic research groups and recently, the industry. One of the promising applications of the graphene is in micro/nano-sensors, e.g. using it as a pressure sensor. To use it in mechanical-based nano-sensors, it is very important to investigate the mechanical behavior of the nano-sized graphene sheet and its sensitivity to the medium changes applied on its faces. In this work, we use the molecular dynamics MD method and simulate the behavior of graphene sheet under differential water pressure influences. In this regard, a square straight monolayer graphene sheet is placed as a separator diaphragm between two different water boxes having different pressure/density magnitudes. The graphene atoms located on four sides around the graphene sheet are fixed during the simulations. At first, the two water boxes are in the same condition, i.e., they are a copy of each other. Next, the density of one of the water boxes is changed abruptly to impose the desired pressure difference. We also investigate the mass transfer through the imposed graphene sheet and its impact on the achieved graphene sheet behavior in this study. To the authors' knowledge, this is the first study to investigate the graphene behavior in this manner. Indeed, one objective of this work is to find the sensitivity of nanoscale graphene sheet to low and high pressure/density differences by investigating its deflections
  6. Keywords:
  7. Heat transfer ; Mass transfer ; Medical applications ; Molecular dynamics ; Nanosensors ; Thermodynamic properties ; Academic research ; Computational investigation ; Different pressures ; Graphene sheets ; High pressure ; Mechanical behavior ; Pressure differences ; Water pressures ; Graphene
  8. Source: ASME 2016 5th International Conference on Micro/Nanoscale Heat and Mass Transfer, MNHMT 2016, 4 January 2016 through 6 January 2016 ; Volume 2 , 2016 ; 9780791849668 (ISBN)
  9. URL: http://proceedings.asmedigitalcollection.asme.org/proceeding.aspx?articleid=2503946