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A Molecular Dynamics Study of Systems of Hard Ellipses

Vanga, Amulya
http://rave.ohiolink.edu/etdc/view?acc_num=kent149849408801736

Abstract Details

2017, MS, Kent State University, College of Arts and Sciences / Department of Mathematical Sciences.
It is well known that Onsager theory on hard rod system predicts that the system exhibits an isotropic-nematic phase transition at a critical density. Previous works by Viellard- Baron [1], Frenkel [2], Sheng [3], Foulaadvand [4], by Monte Carlo simulation or molecular dynamics studies of hard ellipse systems, all show similar results. The approach we adopt in this thesis is through molecular dynamics simulation of NVEP ensemble of 900 hard ellipses in a two dimensional box with periodic boundary conditions, the only interactions between ellipses being through hard collisions. We demonstrate results on thermodynamic properties such as linear speed and angular velocity distributions to show that our system is stabilized. Our results show that the system transits from isotropic uid to nematic phase to solid phase as density increases for aspect ratio 4 and 6 and transits from isotropic phase to solid phase for aspect ratio 2.
Xiaoyu Zheng, Prof. (Advisor)
Applied Mathematics

Recommended Citations

Citations

  • Vanga, A. (2017). A Molecular Dynamics Study of Systems of Hard Ellipses [Master's thesis, Kent State University]. OhioLINK Electronic Theses and Dissertations Center. http://rave.ohiolink.edu/etdc/view?acc_num=kent149849408801736

    APA Style (7th edition)

  • Vanga, Amulya. A Molecular Dynamics Study of Systems of Hard Ellipses. 2017. Kent State University, Master's thesis. OhioLINK Electronic Theses and Dissertations Center, http://rave.ohiolink.edu/etdc/view?acc_num=kent149849408801736.

    MLA Style (8th edition)

  • Vanga, Amulya. "A Molecular Dynamics Study of Systems of Hard Ellipses." Master's thesis, Kent State University, 2017. http://rave.ohiolink.edu/etdc/view?acc_num=kent149849408801736

    Chicago Manual of Style (17th edition)

kent149849408801736
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© 2017, all rights reserved.
This open access ETD is published by Kent State University and OhioLINK.
Release 3.2.12