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
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.