Stephen Garofalini

Distinguished Professor

Materials Science and Engineering

Phone:848-445-2216
Fax:732-445-5595
Email:sgarofalini@gmail.com
Office:ENG A-217
Office Hours: By appointment
Website: Interfacial Molecular Science Laboratory

Link to Dr. Garofalini’s Google Scholar Page

 

Teaching

Professor Garofalini's teaching responsibilities during the 2021-2022 academic year are:

Fall 2021:           

Spring 2022:

  • Phys & Chem Prop Glass, 14:635:416
  • Molecular Behavior of Glass (Graduate), 16:635:516         

Selected Publications

Citations/Papers:

  • “Molecular Mechanism of the Expansion of Silica Glass upon Exposure to Moisture”, S. H. Garofalini, J. Lentz, M. Homann, J. Am. Ceram. Soc. (in press, 2019)

  • “Role of the hydrogen bond lifetimes and rotations at the water/amorphous silica interface on proton transport”, J. Lentz and S. H. Garofalini, Phys. Chem. Chem. Phys., 21 (2019) 12265-12278.

  • “Structural Aspects of Topological Model of the Hydrogen Bond in Water on Auto-Dissociation via Proton Transfer”, J. Lentz and S. H. Garofalini, J. Phys. Chem. B, 20 (2018) 16414-16427.

  • “Observation and Practical Implications of Nano-scale Phase Separation in Aluminosilicate Glass Optical Fibers”, M. Cavillon, P. Dragic, B. Greenberg, S. H. Garofalini, and J. Ballato, J. Am. Ceram Soc. 102 (2018) 879-883.

  • “Molecular Simulations of the Structure and Thermal Transport of High Alumina Aluminosilicate Molten Core Glass Fiber”, B. Greenberg and S. H. Garofalini, J. Am. Ceram. Soc. 101 (2018) 2941-2950.

  • “Simulations of the Surfaces of Soda Lime Aluminoborosilicate Glasses Exposed to Water”, S. H. Garofalini, M. T. Ha, and J. Urraca, J. Am. Ceram. Soc. 101 (2018) 1135–1148.

  • “Reactive Molecular Dynamics Simulations of the Conversion and Reconversion Reactions in FeF2 Nanoparticles”, Y. Ma and S. H. Garofalini, J. Phys. Chem. C. 121 (2017).15002-15007.

  • “Local Structure of Network Modifier to Network Former Ions in Soda-Lime Alumino-Borosilicate Glasses”, M. T. Ha and S.  H. Garofalini, J Am. Ceram. Soc. 100 (2017) 563-573.

  • “Role of Lu and La in the intergranular films on growth of the prism surface in b-Si3N4: A molecular dynamics study”, Y. Jiang and S. H. Garofalini, Scripta Mater. 113 (2016) 97-100.

  • “Proton dynamics at the water-silica interface via dissociative molecular dynamics”,

  • Glenn K. Lockwood and Stephen H. Garofalini, J. Phys. Chem. C 118 (2014) 29750-29759.
  • “Interplay between the ionic and electronic transport and its effects on the reaction pattern during the electrochemical conversion in an FeF2 nanoparticle”, Y. Ma and S. H. Garofalini, Phys. Chem. Chem. Phys. 16 (2014) 11690-11697.
  • “Simulation of the activation barrier for dissolution of amorphous silica in water using a reactive potential”, M. Kagan, G. K. Lockwood, and S. H. Garofalini, Phys. Chem. Chem. Phys. 16 (2014) 9294-9301.
  • “Role of oxygen on the interfacial adsorption sites of Lu and La in β-Si3N4”, Y. Jiang, Y. Ma, and S. H. Garofalini, Acta Mater. 66 (2014) 284-292.
  • “Lifetimes of excess protons in water using a dissociative water potential", G. Lockwood and S. H. Garofalini, J. Phys. Chem. B, 117 (2013) 4089-4097.
  • “Reactions between Water and Vitreous Silica during Irradiation”, G. Lockwood and S. H. Garofalini, J. Nucl. Matls. 430 (2012) 239-245.
  • “Atomistic insights into the conversion reaction in iron fluoride: A dynamically adaptive force field approach”, Y. Ma and S. H. Garofalini, J. Am. Chem. Soc. 134 (2012) 8205-8211.
  • “Molecular dynamics investigation of solution structure between NaCl and quartz crystals”, M. B. Webb, S. H. Garofalini, and G. W. Scherer, J. Phys. Chem. C, 115 (2011) 19724-19732.
  • “Development of a transferable variable charge potential for the study of energy conversion materials FeF2 and FeF3”, Y. Ma, G. K. Lockwood and S. H. Garofalini, J. Phys. Chem. C, 115 (2011) 24198-24205.
  • “Effect of thickness and composition on the structure and ordering in La-doped intergranular films between Si3N4 crystals”, Y. Jiang and S. H. Garofalini, Acta Mater. 59 (2011) 5368-5377.
  • “Order in nanometer thick intergranular films at Au-sapphire interfaces”, M. Baram, S. H. Garofalini and W. D. Kaplan, Acta Mater. 59 (2011) 5710-5715.
  • “Molecular Dynamics Simulations of La2O3-doped Silicate Intergranular Films in Si3N4”, Y. Jiang and S. H. Garofalini, J. Matl. Chem. 20 (2011) 10359-10365.
  •  “Effect of Moisture on the Self-Healing of Vitreous Silica Under Irradiation”, G. Lockwood and S. H. Garofalini, J. Nucl. Mater. 400 (2010) 73-78.
  • “Molecular dynamics simulations of the effect of the composition of the intergranular film on fracture in Si3N4”, S. H. Garofalini and S. Zhang, J. Am. Ceram. Soc. 93 (2010) 235-240.
  • “Molecular Dynamics Simulations of the Locations of La Ions in La-Si-O-N Intergranular Films in Silicon Nitride”, Y. Jiang and S. H. Garofalini, J. Am. Ceram. Soc. 93 (2010) 3886-3892.
  • “Bridging Oxygen as a Site for Proton Adsorption on the Vitreous Silica Surface” G. Lockwood and S. H. Garofalini, J. Chem. Phys. 131 (2009) 074703.
  • “Use of a Dissociative Potential to Simulate Hydration of Na+ and Cl- ions”, M. B. Webb, S. H. Garofalini, and G. W. Scherer, J. Phys. Chem. B, 113 (2009) 9886-9893.
  • “Transport of Water in Small Pores”, S. Xu, G. C. Simmons, T. S. Mahadevan, G. W. Scherer, S. H. Garofalini, C. Pacheco, Langmuir 25 (2009) 5084-5090.
  • “Thermal expansion of Confined Water”, S. Xu, G. W. Scherer, T. S. Mahadevan, S. H. Garofalini, Langmuir 25 (2009) 5076-5083.
  • “Effect of thickness of the intergranular film on fracture in Si3N4”, S. Zhang, and S. H. Garofalini, J. Am. Ceram. Soc.92 (2009)147-151.
  • “Molecular Mechanisms Causing Anomalously High Thermal Expansion of Nanoconfined Water”, S. H. Garofalini, T. S. Mahadevan, S. Xu, and G. W. Scherer, ChemPhysChem 9 (2008) 1997-2001.
  • “Modeling of microstructural evolution using atomic density function and effective pair potentials”, J. Kim and S. H. Garofalini, Phys. Rev. B 78 (2008) 144109.