Title of Oral/Poster Presentation

Effect of Different Potential Combinations on Characteristics of Nanoparticles formed by Dewetting

Class

Article

Graduation Year

2017

College

College of Engineering

Department

Mechanical and Aerospace Engineering Department

Faculty Mentor

Dr. Nick Roberts

Presentation Type

Oral Presentation

Abstract

The interaction energy between a substrate and a film has great effect on the size and distribution of nanoparticles formed through dewetting (the contraction of a thin film into tiny droplets on a substrate). When the film is capped with another material, the interaction between the film and the cap also affects size and distribution. To study these effects, a system with a silica (SiO2) substrate and a thin film of gold (Au) is modeled in the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS). The interaction energy between substrate and film is changed between a chosen low, medium, and high value. A simulation is run with each of the three values where the gold is set to a high temperature (1400 K) and allowed to dewet. Pictures are extracted during each simulation and are used to determine nanoparticle size and distribution. An alumina capping layer is added to the system and simulations are run with all combinations of substrate and cap interaction energies (both alumina and silica have the low interaction with gold; alumina has the medium interaction energy, silica has the low interaction energy; both alumina and silica have the medium interaction energy; etcetera). These simulations also produce pictures for size and distribution analysis. In total 12 simulations are run and analyzed to study the effects of cap and substrate interactions on the characteristics of the gold nanoparticles formed.

Location

Room 208

Start Date

4-13-2017 10:30 AM

End Date

4-13-2017 11:45 AM

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Apr 13th, 10:30 AM Apr 13th, 11:45 AM

Effect of Different Potential Combinations on Characteristics of Nanoparticles formed by Dewetting

Room 208

The interaction energy between a substrate and a film has great effect on the size and distribution of nanoparticles formed through dewetting (the contraction of a thin film into tiny droplets on a substrate). When the film is capped with another material, the interaction between the film and the cap also affects size and distribution. To study these effects, a system with a silica (SiO2) substrate and a thin film of gold (Au) is modeled in the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS). The interaction energy between substrate and film is changed between a chosen low, medium, and high value. A simulation is run with each of the three values where the gold is set to a high temperature (1400 K) and allowed to dewet. Pictures are extracted during each simulation and are used to determine nanoparticle size and distribution. An alumina capping layer is added to the system and simulations are run with all combinations of substrate and cap interaction energies (both alumina and silica have the low interaction with gold; alumina has the medium interaction energy, silica has the low interaction energy; both alumina and silica have the medium interaction energy; etcetera). These simulations also produce pictures for size and distribution analysis. In total 12 simulations are run and analyzed to study the effects of cap and substrate interactions on the characteristics of the gold nanoparticles formed.