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

In the spring semester of 2016, 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: Ashleigh Barnes (Chem) - Evaluation of Graphite Nanofilters for Biogas Purification

Student Vote Second Place: Drew Marable (MABE) - Convection Heat Transfer in Graphene Nanochannel

Student Vote Third Place: Hassan Rezayat (MABE) - Simulation of Heat Affected Zone Martensite Tempering using Molecular Dynamics in LAMMPS

Student Vote Fourth Place (tie): Peiyong Chen (MSE) - MD Simulation: Simulating a High-entropy Alloys System with Embedded Atom Method Potential

Student Vote Fourth Place (tie): Liubin Xu (MSE) - Nanoindentation of Few-layer Graphene

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

Public Vote First Place (tie): Jiaqi Wang (MABE) - Sintering Dynamics of Different-Sized Cu-Ag Core-Shell Nanoparticles under Various Temperature

Public Vote First Place (tie): Ali Yousefzadi Nobakht (MABE) - Calculating Interfacial Thermal Resistance Between Graphene and Silicon Substrate

Public Vote Third Place: Weimin Song (CEE) - Simulation of Multicomponent Asphalt

More Posters!

Baker Martin (CBE) - Determination of Extension Distance of Amino Acid Linker for Photosystem I and Hydrogenase Fusion

Marie Kirkegaard (CIRE) - Dynamics of Hydrated Uranyl Fluoride

Zachary Bergstrom (NE) - A Molecular Dynamics Study of Threshold Helium Concentration for Loop Punching

Kristian Myhre (CIRE) - Superionic conduction in beta''-alumina

Artem Maksov (CIRE) - Adsorption of H2O and O2 molecules on ZnO surface: Effects of Zn and O vacancies

Brandon Shaver (MSE) - Atomic Frictional Sliding of Cubic Indenter on Aluminum Substrate

John Salasin (MSE) - Occlusion Induced Disorder in Calcium Aluminate Nanocages

Jeremy Tisdale (MSE) - Molecular Dynamics Simulation of Thermal Conductivity of Carbon Nanotubes

Mansi Lu (CEE) - MD Simulation of Asphaltene and Trichloroethylene (TCE) System

Yongjie Ding (CEE) - Simulation of Shear Viscosity of Asphalt Using NEMD Methods

Carly McKown (CIRE) - Nanometer Scale Size and Cross-sectional Dependence of Elastic Modulus of Silicon Pillars

Andrew Lubimtsev (MSE) - Oxygen Diffusion in Perovskites with Sr-doping Induced Oxygen Vacancies

Matt Dutra (Chem) - Investigation into the Effects of Nanoconfinement on the Ionic Liquid [EMIM]+[Cl]-

Andrea Becker (Chem) - Movement of Benzenedithiol on an FCC(111) Au Surface

Sara Isbill (Chem) - Methane Dissociation on V(100): A Molecular Dynamics Study

Shao-Yu Wang (MSE) - Molecular Dynamics Simulation for Grain-boundary Diffusion Coefficient of Body Centered Cubic Iron

Randi Beil (Chem) - Energy of Argon-Krypton Interactions

Isaac Bredeson (MSE) - Spinning Argon Droplets

A few more shots from the poster session.

Photographs by Randall Brown.

posted: May, 2016.
updated: May, 2016.