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MSE 614: Modeling & Simulation in Materials Science & Engineering: Classical Mechanics

In the spring semester of 2018, graduate students from seven departments and programs at the University of Tennessee took a course in Classical Molecular Dynamics Simulation offered by Professor David Keffer. As part of their final project, the students identified a system of interest to them, formulated a problem statement and investigated it using MD simulation implemented in LAMMPS. The project had three deliverables: (1) a written report, (2) a poster presented during an in-class poster session and (3) an interactive webpage featuring a structure or animation from their simulation. This page presents some photos from the poster session component of the final project.

The poster session features two competitions. The first competition was based on the votes cast by the students registered in MSE 614. The second competition consisted of votes cast by visitors (faculty and other students) who came to the session. There were so many posters worthy of recognition. Here we simply highlight only a few.

The results of the Student-Vote Competition are as follows.

Student Vote First Place (tie): Mohmad Thakur (CEE) - Estimation of Contact Angle of Soil Water Interface Using Molecular Dynamics Simulation

Student Vote First Place (tie): Robert Minneci (MSE) - Wetting of Copper Nanoparticles on Copper 110 Surface with EAM

Student Vote Third Place: Mahdi Boudaghi-Khajehnobar (MABE) - Study of the Dynamics of Short Chain Linear Polymers in a Semi-Dilute Solution

Student Vote Honorable Mention: Xuesong Fan (MSE) - Molecular Dynamics Simulation for Uniaxial deformations in Zr50Cu40Al10

The results of the General Public-Vote Competition are as follows.

Public Vote First Place: Mohmad Thakur (CEE) - Estimation of Contact Angle of Soil Water Interface Using Molecular Dynamics Simulation

Public Vote Second Place (tie): Leo Zella (MSE) - Forming Ni50Pt50 Metallic Glass with LJ/EAM Hybrid Potential

Public Vote Second Place (tie): Camera Foster (MSE) - Using Different Interatomic Potentials to Calculate the Diffusion Coefficient of Impurity Atoms in Liquid Silicon

More Posters!

Sherif Amer (EECS) - Reliability Analysis of Transition Metal Oxide Memristors

Vivek Chawla (CEE) - Carbon-Nanotube Water Capillary System

Will Ferrell (MSE) - Enthalpy of Polyethylene for Use in Additive Manufacturing

Valerie García-Negrón (MSE) - MD Simulation for sodium-graphite in battery systems using Reactive Force Field

Dayton Kizzire (MSE) - Interfacial Na-ion Localization in Hierarchical Carbon Anodes

Ka Hung Lee (CIRE) - Ionic Conductivity of Yttria-stabilized Zirconia (YSZ) at Various Levels of Doping

Matt Loyd (MSE) - Effect of Temperature on Bulk Modulus of UxTh1-xO2

Xubo Luo (CBE) - Molecular Dynamics Simulatin of Polymeric Ionic Liquid

Zongyang Lyu (MSE) - Molecular Dynamics Simulation of FeNiCr Alloys

Karthika Pillai (CBE) - Molecular Dynamics Simulation for Determining Viscosity of Binary Mixtures of Simple Fluids

Eric Novak (MSE) - Hydride Ion Diffusion in Palladium Hydride

Hyojin Park (MSE) - MD Simulation: Simulating a NiAl-B2 Alloy System with Embedded-Atom Method (EAM) Potential

Nobahar Shahidi (CBE) - Diffusion of Ethane in Polystyrene

Clifton Sluss (MSE) - Examination of Hydrogen in Platinum Catalysts

Jordan Sutton (MSE) - MD Simulation of Liquid Solid Interface Velocity

Jacob Townsend (Chem) - Structure and Gas Diffusivity in 1-Ethyl-3-Methyl-Imidazolium Hexafluorophosphate

Quan Vuong (CIRE) - Structures of Trp-cage Protein in Gas Phase

Zhenghao Zhu (CBE) - Molecular Dynamics Study of the Structure and Diffusivity of Imidazolium-based Ionic Liquids

posted: May, 2018.
updated: May, 2018.