Advisor

Stone, Tonya

Committee Member

Horstemeyer, Mark

Committee Member

Prabhu, Raj

Committee Member

Peters, John

Date of Degree

1-1-2017

Document Type

Graduate Thesis - Open Access

Degree Name

Master of Science

College

James Worth Bagley College of Engineering

Department

Department of Mechanical Engineering

Abstract

Current researchers have looked to nature to learn how self-assembly processes occur. By understanding the self-assembly process, designers can begin to build strong structural materials that are extremely light weight. The discrete element modeling method was used to gain a better understanding of the directed self-assembly of M13 bacteriophage. This model was parameterized from molecular dynamics simulations at the nanometer scale. Three types of functionalized bacteriophage were studied: Wild-type, 4E, and CLP8. Results showed that Wild-type phage are attracted in a head-to-tail orientation, but repelled in head-to-head orientation. The 4E bacteriophage behaved similarly with a stronger bond in the head-to-tail orientation, and CLP8 showed to physically repel in either orientation. The overall finding was that the electrostatic physics dominated as the controlling forces of the phage interactions.

URI

https://hdl.handle.net/11668/18641

Comments

flexible particle chains||Lennard-Jones||DEM||MD

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