Thermal Transport Properties of Hexagonal Boron Nitride Under Mechanical Strain
Disciplines
Mechanical Engineering
Abstract (300 words maximum)
This research is intended to test if a hexagonal boron-nitride compound is a suitable replacement for carbon-based nanomaterials such as graphene as well as other nanomaterials. This research tries to understand the thermal properties of a hexagonal boron-nitride (hBN) junction while deformed and under mechanical strain. In this study we generate hBN sheets and nano tubes with the molecular graphics software VMD, then using MATLAB we code a junction made of these sheets and nano tubes for our research purposes. Once a simulation of this hBN structure is completed, we take the code and use a molecular dynamics software known as LAMMPS, and stretch the structure along the z-axis. While this structure is being stretched, we test the thermal conductivity of the junctions between the hBN nano tubes and the hBN sheets. Expected results based off previous studies on thermal capabilities of hBN are that the thermal conductivity of the junction will decrease a consistent amount proportional to the amount of strain that the structure is subject to.
Academic department under which the project should be listed
SPCEET - Mechanical Engineering
Primary Investigator (PI) Name
Jungkyu Park
Thermal Transport Properties of Hexagonal Boron Nitride Under Mechanical Strain
This research is intended to test if a hexagonal boron-nitride compound is a suitable replacement for carbon-based nanomaterials such as graphene as well as other nanomaterials. This research tries to understand the thermal properties of a hexagonal boron-nitride (hBN) junction while deformed and under mechanical strain. In this study we generate hBN sheets and nano tubes with the molecular graphics software VMD, then using MATLAB we code a junction made of these sheets and nano tubes for our research purposes. Once a simulation of this hBN structure is completed, we take the code and use a molecular dynamics software known as LAMMPS, and stretch the structure along the z-axis. While this structure is being stretched, we test the thermal conductivity of the junctions between the hBN nano tubes and the hBN sheets. Expected results based off previous studies on thermal capabilities of hBN are that the thermal conductivity of the junction will decrease a consistent amount proportional to the amount of strain that the structure is subject to.