resume

STEPHEN H. GAROFALINI

Distinguished Professor

Interfacial Molecular Science Laboratory

Department of Materials Science and Engineering

Rutgers University

607 Taylor Road . Piscataway, NJ 08854-8065

Tel. (848) 445-2216 e-mail shg@rutgers.edu

____________________________________________________________________________________

 

EDUCATION:

Ph.D. 1980; Stanford University.

M.S. 1973; University of Washington.

B.S. 1971; Rutgers University.

B.A. 1971; Rutgers University.

EXPERIENCE:

1996-present Distinguished Professor, Department of Materials Science and Engineering, School of Engineering, Rutgers University

1989-1996 Professor, Department of Ceramics, College of Engineering, Rutgers University

1984-1989 Associate Professor, Department of Ceramics, College of Engineering, Rutgers University.

1980-1984 Assistant Professor, Department of Ceramics, College of Engineering, Rutgers University.

1982(Summer) Visiting Faculty, Stanford University and NASA Ames Research Center, Computational Chemistry Group.

1981(Summer) Visiting Faculty, Stanford University and NASA Ames Research Center, Computational Chemistry Group.

1977-1980 Research Engineer, Lockheed Missiles and Space Company.

1973-1977 Scientist, Lockheed Missiles and Space Company.

 

PUBLICATIONS (REFEREED):

The manuscripts that are given below are provided for your personal use only and may not be retransmitted or redistributed without written permissions from the paper's publisher and author. You may not upload any of this site's material to any public server, on-line service, network, or bulletin board without prior written permission from the publisher and author. You may not make copies for any commercial purpose. Reproduction or storage of materials retrieved from this web site is subject to the U.S. Copyright Act of 1976, Title 17 U.S.C.

"Reactive Molecular Dynamics Simulations of the Conversion and Reconversion Reactions in FeF2 Nanoparticles", Y. Ma and S. H. Garofalini, J. Phys. Chem. C. (in press).

"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. (submitted).

"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. (in press) DOI: 10.1111/jace.1456

"Role of Lu and La in the intergranular films on growth of the prism surface in β-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

"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.

"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

"Role of oxygen on the interfacial adsorption sites of Lu and La in beta-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. K. Lockwood and S. H. Garofalini, J. Chem. Phys. 131 (2009) 074703

"Thermal expansion of confined water", S. Xu, G. W. Scherer, T. S. Mahadevan, and S. H. Garofalini, Langmuir 25 (2009) 5076-5083.

"Transport of water in small pores", S. Xu, G. C. Simmons, T. S. Mahadevan, G. W. Scherer, S. H. Garofalini, and C. Pacheco, Langmuir 25 (2009) 5084-5090.

"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, 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.

"Anisotropic dissolution of alpha-alumina (0001) and (11-20) surfaces into adjoining silicates", G. K. Lockwood and S. H. Garofalini, J. Am. Ceram. Soc. 91 (2008) 3536-3541.

"Molecular dynamics simulations of beta-SiC using both fixed charge and variable charge models", Y. Ma and S. H. Garofalini, J. Chem. Phys. 128 (2008) 084505.

"Dissociative adsorption of water onto silica surfaces and formation of hydronium ions", T. Mahadevan and S. H. Garofalini, J. Phys. Chem. C 112 (2008) 1507-1515.

"Dissociative water potential for molecular dynamics simulations", T. Mahadevan and S. H. Garofalini, J. Phys. Chem. B 111 (2007) 8919-8927.

"Iterative fluctuation charge model: A new variable charge molecular dynamics method", Y. Ma and S. H. Garofalini, J. Chem. Phys. 124 (2006) 234102.

"Lattice dynamics and molecular dynamics study of quartz using a many body variable potential",Y. Ma and S. H. Garofalini, Phys. Rev. B73 (2006) 174109.

"The effect of the composition of the intergranular film in alumina on preferential adsorption and growth", S. H. Garofalini and S. Zhang, J. Matls. Sci. 41 (2006) 5053-5060.

"Determining the radial pair-distribution function within intergranular amorphous films by numerical nanodiffraction, C. T. Koch and S. H. Garofalini, Ultramicroscopy 106 (2006) 383-388.

"Molecular dynamics simulations of the atomistic structure of the intergranular film between silicon nitride grains: effect of composition, thickness, and surface vacancies", S. H. Garofalini, Matls. Sci. and Eng. A 422 (2006)115-122.

"Molecular dynamics simulations of the effect of the composition of calcium alumino-silicate intergranular films on alumina grain growth", S. Zhang and S. H. Garofalini, J. Phys. Chem. B 110 (2006) 2233-2240.

"Modified Wolf electrostatic summation: Incorporating an empirical charge overlap", Y. Ma and S. H. Garofalini, Molec. Simul. 31 (2005) 739-748.

"Effect of interphase mixing on the structure of calcium silicate intergranular film/silicon nitride crystal interfaces", X. Su and S. H. Garofalini, J. Appl. Phys. 97 (2005) 113526

" Application of the Wolf Damped Coulomb Method to Simulations of SiC", Y. Ma and S. H. Garofalini, J. Chem. Phys. 122 (2005) 094508-1-5

"Molecular Dynamics Computer Simulations of Diffusion in Calcium-Alumino-Silicate Intergranular Films between Crystals of alpha-Al2O3", S. Zhang and S. H. Garofalini, J. Am. Ceram. Soc. 88(2005)3162-3169

"Molecular Dynamics Computer Simulations of the Interface Structure of Calcium-Alumino-Silicate Intergranular Films between Combined Basal and Prism Planes of alpha-Al2O3", S. Zhang and S. H. Garofalini, J. Am. Ceram. Soc.88 (2005) 202-209.

"Electronic structure and bonding of the intergranular glassy films (IGF) in polycrystalline Si3N4: Ab-initio studies and classical MD simulations", Paul Rulis, Jun Chen, Lizhi Ouyang, W.Y. Ching, Xiaotao Su, and S.H. Garofalini, Phys. Rev. B71 (2005) 235317-1-10

"Molecular Simulations of lithium insertion in a nanocrystalline vanadia thin film cathode, W. Li and S. H. Garofalini, J. Electrochem. Soc.152 (2005) A364-A369

"Role of Nitrogen on the Atomistic Structure of the Intergranular Film in Silicon Nitride: A Molecular Dynamics Study ", X. Su and S. H. Garofalini, J. Matls. Res. 19 (2004) 3679-3678

"Molecular Dynamics Simulation of lithium diffusion in lithium alumino-silicate glases", W. Li and S. H. Garofalini, Sol. St. Ionics, 166 (2004) 365-373

"Systematic Study of Effect of Disorder on Nanotribology of Self-Assembled Monolayers", M. Chandross, E. B. Webb III, M. J. Stevens, G. S. Grest, and S. H. Garofalini, Phys. Rev. Lett. 93 (2004) 166103-1-4.

"Atomistic Structure of Calcium Silicate Intergranular Films between Prism and Basal Planes in Silicon Nitride", X. Su and S. H. Garofalini, J. Matls. Res. 19 (2004) 752-758

"Molecular Dynamics Simulations of Calcium Silicate Intergranular Films between Silicon Nitride Crystals", S. H. Garofalini and W. Luo, J. Am. Ceram. Soc 86(2003)1741-1752.

"Transformations in the Medium-Range Order of Fused Silica Under High Pressure", L.P. Davila, M-J.Caturla, A. Kubota, B. Sadigh, T. Diaz de la Rubia, J. F. Shackelford, S. H. Risbud, and S. H. Garofalini, Phys. Rev. Lett. 91 (2003)205501-1

"Molecular Dynamics Simulations of Li Transport between Cathode Crystals", S. H. Garofalini, J. Power Srcs, 110 (2002) 412-415.i

"Molecular Dynamics Simulations of Glass Surfaces and Interfaces", S. H. Garofalini, Reviews in Mineralogy and Geochemistry, Molecular Modeling Theory: Applications to the Geosciences. R. Cygan and J. Kubicki, eds., 42(2001) 131-164.

"in-situ Deposition and UHV STM/AFM study of V2O5/Li3PO4 Rechargeable Lithium Ion Battery", A. E. Semenov, I. N. Borodina, and S. H. Garofalini, J. Electrochem. Soc. 148(2001)A1239-A1246.

"Modeling of Hydrophilic Wafer Bonding by Molecular Dynamics Simulations" , D. A. Litton and S. H. Garofalini , J. Appl. Phys. 89(2001) 6013-6023

"Molecular Dynamics Simulations of Cathode/Glass Interface Behavior: Effect of Orientation on Phase Transformation, Li Migration, and Interface Relaxation" , S. H. Garofalini and P. Shadwell, J. Pwr. Sources, 89 (2000) 90-200.

"Molecular Dynamics Simulations of Calcium Alumino-Silicate Intergranular Films on (0001) Alumina Faces" , D. A. Litton and S. H. Garofalini, J. Am. Cer. Soc. 83 (2000) 2273-81.

"Atomistic Structure Of Sodium and Calcium Silicate Intergranular Films In Alumina" , D. A. Litton and S. H. Garofalini, J. Mater. Res. 14 (1999) 1418.

"Molecular Dynamics Simulation of the Effect of Crystal Orientation on Lithium Ion Diffusion at the V2O5/Li2SiO3 Interface", M. E. Garcia and S. H. Garofalini, J. Electrochem. Soc. 146 (1999) 840-849.

"A Multibody Potential to Study the Structure of Undoped and Er+3 -doped Lead-Silicate Glass", T. Peres, D. A. Litton, J. A. Capobianco, and S. H. Garofalini, Philos. Mag. B 77 (1998) 389-396.

"Scanning Force Microscopy Investigation of Surface Forces at the Tungsten Oxide/Lithium Borate Interface", D. A. Hensley and S. H. Garofalini, J. Electrochem. Soc. 145 (1998) 669-675.

"Molecular Dynamics Simulation of V2O5/Li2SiO3 Interface", M. Garcia, E. Webb, and S. H. Garofalini, J. Electrochem. Soc. 145 (1998) 2155-2164.

"Relaxation of Silica Glass Surfaces Before and After Stress Modification in Wet and Dry Atmospheres: Molecular Dynamics Simulations", E. B. Webb and S. H. Garofalini, J. Non-Cryst. Sol., 226 (1998) 47-57.

"Three-Body Potential Modeling of Undoped and Er+3 -doped Lead-Silicate Glass", T. Peres, D. A. Litton, J. A. Capobianco, and S. H. Garofalini, J. Non-Cryst. Sol. 221 (1997) 34-46.

"Silver Clustering in Sodium Silicate Glasses: a Molecular Dynamics Study", D. Timpel, K. Scheerschmidt, and S. H. Garofalini, J. Non-Cryst. Sol. 221 (1997) 187-198

"Atomistic Structure Of Calcium Silicate Intergranular Films In Alumina Studied By Molecular Dynamics Simulations", S. Blonski and S. H. Garofalini, J. Am. Ceram. Soc., 80 (1997) 1997-2004.

"Vitreous Silica Bulk And Surface Self-Diffusion Analysis By Molecular Dynamics", D. A. Litton and S. H. Garofalini, J. Non-Cryst. Sol., 217 (1997) 250-263.

"Molecular Dynamics Study of Silica-Alumina Interfaces", S. Blonski and S. H. Garofalini, J. Phys. Chem. 100 (1996) 2201-2205.

"Molecular Dynamics Studies of Lithium Injection in Model Electrode/Electrolyte Systems", D.T. Kulp and S.H. Garofalini, J. Electrochem. Soc. 143 (1996) 2211-2219.

"Molecular Dynamics Simulation of Elevated Temperature Interfacial Behavior between Silica Glass and a Model Crystal", E. B. Webb III and S. H. Garofalini, J. Chem. Phys. 105 (1996) 792-801.

"In situ Deposition and XPS Characterization of Lithium Based Solid Electrolyte/Vanadia Interfaces: Observation of Lithium Migration", D. A. Hensley and S. H. Garofalini, Solid State Ionics 82 (1995) 67-73.

"XPS Investigation of Lithium Borate Glass and the Li/LiBO2 Interface", D. A. Hensley and S. H. Garofalini, Appl. Surf. Sci. 81 (1994) 331-339.

"Effect of Composition on the Penetration of Inert Gases Adsorbed onto Silicate Glass Surfaces", A. Kohler and S. H. Garofalini, Langmuir 10 (1994) 4664-4669.

"Molecular Simulations of the Polymerization of Silicic Acid Molecules and Network Formation", S. H. Garofalini and G. Martin, J. Phys. Chem. 98 (1994) 1311.

"Molecular Dynamics Simulation of the Approach and Withdrawal of a Model Crystalline Metal to a Silica Glass Surface", E. Webb and S. H. Garofalini, J. Chem. Phys. 101 (1994) 10101-10106.

"Sol-Gel Polymerization: Analysis of Molecular Mechanisms and the Effect of Hydrogen", G. Martin and S. H. Garofalini, J. Non-Cryst. Sol. 171 (1994) 68-79.

"Effect of Adsorption of EAM Metal Atoms on the Structure of a Sodium Alumino-Silicate Glass Surface: A Molecular Dynamics Simulation", E. Webb and S. H. Garofalini, Surface Science 319 (1994) 381-393.

"A First Principles Study of Crystalline Silica", F. Liu, S. H. Garofalini, R.D. King-Smith, and D. Vanderbilt, Phys. Rev. B 49 (1994) 12528.

"Stabilization of g-alumina Surfaces by Additives: Insight from Computer Simulations" S. Blonski and S. H. Garofalini, Catal. Lett. 25 (1994) 325-336.

"Structural and Electronic Properties of Sodium Metasilicate", F. Liu, S. H. Garofalini, R.D. King-Smith, and D. Vanderbilt, Chem. Phys. Lett. 215 (1993) 401.

"Molecular Dynamics Simulations of g-alumina Surface Stabilization by Deposited Silicon Ions", S. Blonski and S. H. Garofalini, Chem. Phys. Lett. 211 (1993) 575.

"First Principles Calculations of the Structural Properties of b-Cristobalite", F. Liu, S. H. Garofalini, R.D. King-Smith, and D. Vanderbilt, Phys. Rev. Lett. 70 (1993) 2750.

"Molecular Dynamics Simulations of a-alumina and g-alumina Surfaces", S. Blonski and S. H. Garofalini, Surf. Sci. 295 (1993) 263.

"AFM and XPS Investigation of the Onset of Reactions on Alkali Silicate Surfaces", G. Rudd, S. H. Garofalini, D. A. Hensley, and C. M. Mate, J. Am. Cer. Soc. 76 (1993).

"Molecular Dynamics Simulations of the Effect of Adsorption on SiO2 Surfaces", D. Athanasopoulos and S. H. Garofalini, J. Chem. Phys. 97 (1992) 3775.

"Structure of Sodium-Alumino-Silicate Glass Surfaces", D. M. Zirl and S. H. Garofalini, J. Am. Ceram. Soc. 75 (1992) 2353.

"Effect of Adsorption on the Surface Structure of Sodium Alumino-Silicate Glasses: A Molecular Dynamics Simulation", D. Athanasopoulos and S. H. Garofalini, Surf. Sci. 273 (1992) 129.

"Scanning Tunneling Microscopy Studies of Conducting Molybdenum Oxide Bronzes", G. Rudd, D. Novak, D. Saulys, R. A. Bartynski, S. Garofalini, K. V. Ramanujachary, M. Greenblatt, and E. Garfunkel, J. Vac. Sci. Technol. B. 9 (1991) 909.

"Substrate Effect on Crystallization of a Sol-Gel Coating", M. Chui-Sabourin and S. H. Garofalini, Thin Film Solids 198 (1991) 177.

"Microstructural Evaluation of Simulated Sodium Silicate Glasses", H. Melman and S. H. Garofalini, J. Non-Cryst. Sol. 134 (1991) 107.

"Water Induced Relaxation of the Vitreous Silica Surface", B. P. Feuston and S. H. Garofalini, J. Appl. Phys. 68 (1990) 4830.

"Structure of Sodium-Alumino-Silicate Glasses", D. M. Zirl and S. H. Garofalini, J. Am. Ceram. Soc. 73 (1990) 2848.

"Surface Studies of TiO2-SiO2 Glasses By X-Ray Photoelectron Spectroscopy", S. M. Mukhopadhyay and S. H. Garofalini, J. Non-Cryst. Sol. 126 (1990) 202.

"Onset of Polymerization in Silica Sols", B. P. Feuston and S. H. Garofalini, Chem. Phys. Lett. 170 (1990) 264.

"Reactions on Modified Silica Surfaces", D. M. Zirl and S. H. Garofalini, J. Non-Cryst. Sol. 122 (1990) 111.

"Oligomerization in Silica Sols", B. P. Feuston and S. H. Garofalini, J. Phys. Chem. 94 (1990) 5352.

"Molecular Dynamics Computer Simulations of Silica Surface Structure and Adsorption of Water Molecules", S. H. Garofalini, J. Non-Cryst. Sol. 120 (1990) 1.

"Topological and Bonding Defects in Vitreous Silica Surfaces", B. P. Feuston and S. H. Garofalini, J. Chem. Phys. 91(1989) 564.

"Scanning Tunneling Microscopy and Nanolithography on a Conducting Oxide, Rb0.3MoO3", E. Garfunkel, G. Rudd, D. Novak, S. Wang, G. Ebert, M. Greenblatt, T. Gustafson, S. H. Garofalini, Science 246 (1989) 99.

"Mechanism of Alkali Adsorption on Silica Surfaces", D. M. Zirl and S. H. Garofalini, Phys. Chem. Glasses, 30 (1989) 155.

"The Structure of Sodium Trisilicate Glass Via a Molecular Dynamics Simulation Employing Multibody Potentials", R. G. Newell, B. P. Feuston, and S. H. Garofalini, J. Materials Research, 4 (1989) 434.

"XPS Analysis of Potassium Adsorption onto v-SiO- Observation of Reactive Surface Defect Species", R. Caracciolo and S. H. Garofalini, J. Am. Ceram. Soc. 71 (1988) C346.

"Empirical Three-Body Potential for Vitreous Silica", B. P. Feuston and S. H. Garofalini, J. Chem. Phys., 89 (1988) 5818.

"Molecular Dynamics Study of Amorphous Titanium Silicate" A. Rosenthal and S. H. Garofalini, J. Non-Cryst. Solids 107 (1988) 65.

"Onset of Alkali Adsorption on the v-SiO2 Surface", S. H. Garofalini and D. Zirl, J. Vac. Sci. Tech., 6 (1988) 975.

"Surface Structure of Silicate Glasses-Atomic Level Description", S. H. Garofalini, Effect of Modes of Formation on the Structure of Glass, eds. R. Weeks, D. Kinser, Trans Tech. Publ., 1988.

"Computer Simulation of Interactions of Model Platinum Particles and Films with the Silica Surface", S. M. Levine and S. H. Garofalini, J. Chem. Phys. 88 (1988) 1242.

"The Structure of Amorphous Na2O . ZnO . 3SiO2", A. Rosenthal and S. H. Garofalini, J. Non-Crystalline Solids, 92 (1987) 3354.

"Structural Role of Zinc Oxide in Silica and Soda-Silica Glasses", A. Rosenthal and S. H. Garofalini, J. Am. Ceram. Soc. 70 (1987) 821.

"A Structural Analysis of the Vitreous Silica Surface via a Molecular Dynamics Computer Simulation", S. M. Levine and S. H. Garofalini, J. Chem. Phys., 86 (1987) 2997.

"Kinetics of Tridymite Formation", S. H. Garofalini and A. Miller, J. Cryst. Growth, 78 (1986) 85.

"Applicability of the Molecular Dynamics Technique to Simulate the Vitreous Silica Surface", S. H. Garofalini, Structure and Bonding in Non-Crystalline Solids, Eds. G. Walrafen and A. Revesz, Plenum Press (1986).

"Simulation of Sol-Gel Process", S. H. Garofalini, Sol-Gel Technology: Processing Glassy Films Fibers, and Shapes, L. C. Klein, ed., Noyes Publ. Park Ridge, N.J. (1986).

"Molecular Dynamics Simulation of Amorphous Zinc Silicate", A. Rosenthal and S. H. Garofalini J. Non-Cryst. Solids, 87 (1986) 254.

"Applications of Molecular Dynamics Simulations to Sol-Gel Processing", S. H. Garofalini and H. Melman, Better Ceramics Through Chemistry, Materials Research Society, J. Brinker, D. Clark, and D. Ulrich, eds., Vol. 73 (1986).

"Interactions of Pt Single Atoms with the Vitreous Silica Surface; Thermal Accommodation and Adsorption", S. M. Levine and S. Garofalini, Surf. Sci., 177 (1986) 157.

"Surface Structure of Silica Glasses by Molecular Dynamics Simulations", S. M. Levine and S. H. Garofalini, Defects in Glasses, Materials Research Society, F. Galeener, et al. eds., Vol. 61 (1986).

"Molecular Dynamics Simulation of O on Pt (111)", S. M. Levine and S. H. Garofalini, Surface Science. 167 (1986) 198.

"Differences in Surface Behavior of Alkali Ions in Li2O . 3SiO2 and Na2O . 3SiO2 Glasses", S. H. Garofalini and S. M. Levine, J. Amer. Ceram. Soc. 68 (1985) 376.

"Effect of Elevated Temperature on the Distribution of Species at the Surface of a K2O . 3SiO2 Glass", S. H. Garofalini, Phys. Chem. Glasses, 26 (1985) 166.

"Molecular Dynamics Simulations of Pt on a Vitreous Silica Surface", S. M. Levine and S. H. Garofalini, Surface Science 163 (1985) 59.

"Comparison between Bulk and Surface Self Diffusion Constants of Si and O in Vitreous Silica", S. H. Garofalini and S. Conover, J. Non-Cryst. Solids, 74 (1985) 171.

"Defect Species in Vitreous Silica - A Molecular Dynamics Simulation", S. H. Garofalini, J. Non-Crystalline Solids, 63 (1984) 337.

"Behavior of Atoms at the Surface of a K2O . 3SiO2 Glass - A Molecular Dynamics Simulations", S. H. Garofalini, J. Amer. Ceramic Soc., 67 (1984) 133.

"A Comparison of Ion Scattering Spectra and Molecular Dynamics Simulations at the Surface of Silicate Glasses", J. Kelso, C. G. Pantano, and S. H. Garofalini, Surface Science, 134 (1983) L543.

"A Molecular Dynamics Simulation of the Vitreous Silica Surface", S. H. Garofalini, J. Chem. Phys. 78 (1983) 2069.

"Potassium Diffusion at the Surface of a K2O . 3SiO2 Glass", S. H. Garofalini, J. Vac. Sci. Tech. A. 2 (1983) 79.

"Pressure Variation in Molecular Dynamics Simulated Vitreous Silica", S. H. Garofalini, J. Non-Cryst. Solids 55 (1983) 451.

"Molecular Dynamics Computer Simulation of the Surface of Vitreous Silica-Composition, Structure, and Energy Profile", S. H. Garofalini, Glastechn. Ber., 56 (1983) 1063.

"Molecular Dynamics Simulation of the Frequency Spectrum of Amorphous Silica", S. H. Garofalini, J. Chem. Phys. 76 (1982) 3189.

"Adatom Coalescence and Cluster Motion on Amorphous Surfaces via a Molecular Dynamics Computer Simulation", S. H. Garofalini, T. Halicioglu and G. M. Pound, Surface Science 114 (1982) 161.

"Mechanism for Self-Diffusion of Au and Ir Adatoms on Pt (110) Surface", S. H. Garofalini, T. Halicioglu, Surface Science 104 (1981) 199.

"Analysis of the Cross-Channel Diffusion Mechanism", S. H. Garofalini, T. Halicioglu, Surface Science 112 (1981) L775.

"Cluster Adsorption on Amorphous and Crystalline Surfaces: A Molecular Dynamics Study of Model Pt on Cu and Model Pd on Pt", S. H. Garofalini, T. Halicioglu and G. M. Pound, J. Vac. Sci. Tech., 19 (1981) 717.

"The Melting of a Monatomic Amorphous Surface: A Molecular Dynamics Study", M. R. Mruzik, S. H. Garofalini, G. M. Pound, Surface Science 103 (1981) 353.

"Development of High Viscosity Coatings for Advanced Space Shuttle Applications", S. H. Garofalini, R. Banas, J. Creedon, SAMPE Quarterly 11 (1980) 27.

"Computer Simulation of Amorphous Surfaces: Energy Profile and Binding Energy", S. H. Garofalini, T. Halicioglu and G. M. Pound, J. Non-Cryst. Solids, 47 (1980) 411.

 

INVITED LECTURES:

Frontiers in Materials Processing, Applications, Research and Technology, Bordeaux, France 2017

PACRIM and Glass and Optical Materials Div. Mtgs, Kona, Hawaii 2017

Materials Science and Technology Annual Mtg., Salt Lake City, UT, 2016

International Workshop on Interfaces, Bear Creek, PA, 2015

University of Florida, CAMS, 2015 (Keynote)

Wake Forest University, Dept. of Physics, 2015

Materials Science and Technology Annual Mtg,, Comp. Design of Ceramic Matls, Pittsburgh, 2014

Electronic Materials and Applications: Basic Science Div. Am. Ceram. Soc. Orlando, 2014

Lawrence Livermore National Laboratory, Computational Chemistry and Materials Sci. Institute, 2013

Computational Materials Science Network, Water and Aqueous Solutions, UC Davis 2013

Pennsylvania State University, Materials Research Institute, 2013

International Materials Inst. Functional Glasses Conference, Siracusa, Sicily, 2013

Glass and Opt. Matls. Symposium, Materials Science and Technology Pittsburgh Pa, 2012

Princeton University, 2012

Materials Science and Technology Annual Mtg, Interface Symposium, Columbus OH, 2011

Materials Science and Technology Annual Mtg, Grain Boundary Symposium, Columbus OH, 2011

Clemson University, Dept. Matl. Sci. and Eng., SC, 2011

Clemson University, Dept. of Chemistry, SC, 2011

Lawrence Livermore National Labs, Livermore, CA, 2011

GOMD (Glass and Optical Materials Division) Meeting, Savannah, GA, 2011

Materials Science and Technology (MS&T) Annual Meeting, Houston TX, 2010

Princeton University, Computational Materials Science Network, Princeton NJ, 2010

Goldschmidt Conference (Geochemical Society) Knoxville, TN, 2010

International Workshop on Interfaces, PA, 2009

Materials Science and Technology (MS&T), Pittsburgh PA, 2009

American Chemical Society, Spring, Salt Lake City, 2009

American Ceramic Society, PacRim Meeting, Vancouver, CA, 2009

Gordon Research Conference, Water and Aqueous Solutions, NH, 2008

American Chemical Society, Spring, New Orleans, 2008

Sandia National Labs, Albuquerque, NM, 2008

MS&T Annual Meeting, Detroit MI, 2007

CECAM (European Center for Atomic and Molecular Calculations), Lyon France, 2007

NASA Ames Research Center, Mountain View, CA, 2007

University of California, Davis, CA, 2007

TMS Annual Meeting, Orlando, FL, 2007

Drexel University, Philadelphia, PA, 2006

Lehigh University, Materials Science and Engineering, PA, 2006

Interfaces in Functional Ceramics and Glass/Ceramics: Theory to Experiment, PA, 2006

American Ceramic Society, Glass and Optical Matls., SC, 2006

American Ceramic Society, Pac-Rim Meeting, HI, 2005

Cementatious Materials as Model Porous Media, Ascona, Switzerland, 2005

15th Goldschmidt Conference, Geochemical Soc., ID, 2005

6th International Workshop on Interfaces: Interfaces by Design, Santiago, Spain, 2005.

American Ceramic Society, MD, Glass Fiber Symposium2005

American Ceramic Society, MD, Interfaces Symposium 2005

Princeton University, 2004

Cornell University, 2004

University of Karlsruhe, Germany, 2003

Electrochemical Society, Orlando, FL, 2003

American Ceramic Society, Annual Meeting, Nashville, TN, 2003

International Conference on Composites Engineering, ICCE/9, San Diego, CA, 2002

Johns Hopkins University, Earth and Planetary Sci., Baltimore MD, 2002

Laboratory for Surface Modification, Rutgers University, Piscataway, NJ, 2002

Workshop on Applications of Modeling to Batteries, Crystal City, VA, 2001

Mardi Gras Physics Conference, Louisiana State University, Baton Rouge, LA, 2001

Materials Research Society, Fall Meeting, Boston, 2000

University of California, Davis, Nov. 2000

Lawrence Livermore National Laboratory, Nov. 2000

Pennsylvania State University, Sept. 2000

Gordon Research Conference on Ceramics, 2000

American Ceramic Society, Annual Meeting, St. Louis, MO, 2000

International Workshop on Wetting, Adsorption and Segregation at Free Surfaces and Grain Boundaries, Schloss Ringberg, Germany, 1999

IXth International Conference on the Physics of Non-Crystalline Solids, Arizona, 1999

Virginal Tech, Blacksburg, Va, 1999

Advanced Li Solid State Battery Workshop, Towson MD, 1999

Oak Ridge National Laboratory, Oak Ridge,TN, 1999

Workshop on Batteries, Argonne, 1999 (declined)

Lawrence Livermore National Labs, Livermore, CA, 1998

Naval Research Laboratory, Washington DC, 1998

University of California, Davis, Davis CA, 1998

Roermond Conference on Catalysis, Netherlands, 1998 (declined)

Fine Particle Society, Dallas TX, 1998, (declined)

Workshop-Interfaces in Silicon-Based Ceramics, UC-Berkeley, Berkeley, CA. 1997

Gordon Research Conference on Ceramics, 1997

CECAM (Centre Europeen de Calcul Atomique et Moleculaire) Workshop on Simulations of Silica, Lyons, France, 1997

CEA (Commissarait a l’ Energie Atomique) Gif-sur-Yvette, France, 1997

DOE Advanced Non-Aqueous Battery Technology Workshop, Hunt Valley, MD, 1997

American Chemical Soc. MARM'97, Molecular Modeling session, 1997

Molecular Simulations' International Materials Science Symposia, Philadelphia, PA, 1995

DOE Workshop on Solid Electrolytes for Battery Applications, Colorado Springs, CO, 1995

Gordon Research Conference on Glass, 1994

STM/AFM Symposium, U. S. Army Natick Research Center, 1994

Eighth CIMTEC, Forum on New Materials, New Horizons in Materials Research, Florence, Italy, 1994

DuPont Central Research Laboratory, Wilmington, DE, 1994

Norton/Saint Gobain Industrial Ceramics Research Labs, Northboro, MA, 1994

The Electrochemical Society, Electronics/Dielectric Science and Technology Division, Honolulu, Hawaii, 1993.

University Conference on Glass Science, Alfred University, 1993

American Ceramic Society Annual Meeting, Glass and Optical Materials Div., Cincinnati, OH, 1993.

Oak Ridge National Labs, Solid State Division, Oak Ridge, TN, 1992.

AT&T Bell Labs, Murray Hill, NJ, 1992.

American Chemical Society, Division of Inorganic Chemistry Symposium on Recent Advances In Solid State Chemistry, Washington DC, 1992.

NIST, Ceramics, Gaithersburg, MD, 1992.

Eastman-Kodak Research Laboratory, Rochester, NY 1992.

Allied-Signal Corporate Research Laboratory, Morristown, NJ, 1992.

Engelhard Corp., Iselin, NJ, 1991.

NATO ASI Defects and Disorder in Crystalline and Amorphous Solids, Madrid, Spain, 1991.

American Ceramic Society Annual Meeting, "Computer Simulations of Glasses", Cincinnati, OH, 1991.

IBM Research, Yorktown Heights, Physical Sciences Division, "MD Simulations of Glass Surfaces", 1991.

Rennsalaer Polytechnic Institute, "MD Simulations of Glasses", 1991.

TMS-MSD Fall Meeting, "Simulations of Oxide Glass Surfaces", Detroit, MI., Oct. 1990.

Cornell University, School of Chemical Engineering, Ithaca, NY "Adsorption on Oxide Surfaces", September, 1990.

Gordon Research Conference on Functional Interactions of Water with Solid Surfaces, "Water Interactions with Oxide Surfaces", July 1990.

Roermond (European) Conference on Catalysis" Molecular Dynamics Studies of Silica Reactivity", The Netherlands, June 1990.

Gordon Research Conference on Glass, "Molecular Studies of Glass Surfaces", June 1990.

International Conference on Computer Applications to Materials Science and Engineering (CAMSE'90 and CAMSE'92), Tokyo, Japan, 1990, 1992 (declined).

V.M. Goldschmidt Conference, "Ab Initio Methods and Molecular Dynamics", Baltimore, MD 1990.

CCP5 Conference, "Simulations of Glassy Materials", Cambridge, United Kingdom, 1989.

10th International Conference on Glass Science, "Simulations of Molecular Interactions Silicate Glass Surfaces", Pennsylvania State University, 1989.

DOE Technology Transfer Symposium; "Interfaces in Materials Synthesis and Properties", Pacific Northwest Laboratory, Sept. 1988.

Gordon Research Conference on Glass "Molecular Dynamics Simulations of Water Interactions with Vitreous Silica", 1988

American Chemical Society, 22nd MARM, "Adsorption Sites on Vitreous Silica", Millersville, Pa. 1988.

Conference on "Effects of Modes of Formation on the Structure of Glasses", Vanderbilt University, 1987.

American Vacuum Society, 34th National Symposium, "Theoretical and Experimental Study of Adsorption Sites on Vitreous Silica", 1987.

University of Washington, Dept. of Materials Science and Engineering, "Simulations of Oxide Glass Surfaces", 1987.

Conference on "Quantum Theory and Experiment Applied to Solids", Univ. of Maryland, "Molecular Dynamics Simulation of Silicate Glass Surfaces", 1986.

Materials Research Society, Spring Meeting "Applications of Molecular Dynamics to Sol-Gel Processing", 1986.

NASA, Ames Research Center, Computational Chemistry, "Amorphous Silica Surface: Defect Structures and Adsorption Behavior", 1986.

Gordon Research Conference on Glass "Molecular Dynamics Simulations of Silica and Silicate Glass Surfaces", 1985.

AT&T Bell Labs, "Molecular Dynamics Simulations of Silica Surfaces", 1985.

Basic Science Division, Fall Meeting, American Ceramic Society, "Glass Surfaces as Seen by Molecular Dynamics", 1985.

Pennsylvania State University, Dept. of Materials Science and Engineering, "Molecular Dynamics Simulations of Glass Surfaces", 1985.

EXXON Corporate R&D Labs, "Molecular Dynamics Simulations of Glass Surfaces", 1984.

University of Alabama, Huntsville, Army Research Office, ARO/MICOM/AML Workshop on Environmental Effects on Optical Fibers, "Glass Surfaces at Atomic Level-Molecular Dynamics Simulations of v-SiO2", 1984.

Brookhaven National Labs, Metallurgy and Materials Science, 1983, "Structure of Vitreous Silica and Silicate Fracture Surfaces via Molecular Dynamics Simulation".