Stefan Bringuier






Research during PhD

    My dissertation research efforts consisted of investigating the mechanical properties of silicon and silicon carbide (SiC) via molecular dynamics simulations (MD). Specifically I focused on the effects of grain boundaries with regards to mechanical properties. The addition of secondary phase materials in SiC, like graphene, was also studied due to graphenes outstanding mechanical properties.

Figure: Uniaxial loading of a polycrystalline SiC ( space group F4̄ 3m)

Figure: Uniaxial loading of a polycrystalline 3C-SiC.

    I also investigated the tailoring of thermal transport in graphene via defect-and-molecular engineering, focusing on the effects of point defects and C-60 molecules chemisorbed.

SLG with C-60

Figure: Graphene with C-60 molecule chemisorbed using AIREBO potential.

    Another project that I actively participated in focus on calcuations of gibbs excess free energy for alkali molten salts from MD using the method of  thermodynamic integration. Furthuremore, transport properties such as thermal conductivity and  viscosity were calculated using Green-Kubo equilibrium MD simulations to probe composition and temperature dependence.

0.4-Zn 0.6-K Cl salt

Figure: Slice from Zn-K-Cl molten salt simulation showing tetrahedral coordinated Zn , Cl(green) and K(purple)

I've also worked with colleagues in the Department of Civil Engineering and Engineering Mechanics and the University of Arizona to investigate the strain nature of martensite and austinite phases in NiTi shape memory alloy. In addition, I've worked with another group in the same department but on characterizing mechanical properties of aluminosilicate glasses with  implications towards geopolymer construction materials.

Figure: Phonon dispersion at 450K for NiTi shape memory alloy of austenite, B2 phase. Onset of phonon instability is seen at M point indicating ensuing phase transformation.

I've also worked on the development of parameterization for the Enviromental Dependent Dynamic-Charge potential of K. Muralidharan.

Research during MS

    My M.S. research consisted of studying the propagation of acoustic/elastic waves in periodic composite materials, also known as Phononic Crystals.  My research group uses Finite-Difference Time-Domain and Plane wave expansion methods to carry out such work.


Group Members: Pierre Dyemier(Ph.D) , Krishna Muralidharan(Ph.D) , Venkat Roa Manga(Ph.D), Abu Asaduzzaman(Ph.D), Nichlas Swinteck (Ph.D), Tony-Jefferson Gnanaprakasa.

Stefan Bringuier
University of Arizona,
Materials Science and Engineering Department
Office: MINES 125B
Email: stefanb@email.arizona.edu
Alt Email: stefanbringuier@live.com