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Dr. Jincheng Du
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Publications

2011

  1. J. A. Johnson, C. J. Benmore, D. Holland, J. Du, B. Beuneu and A. Mekki, “Influence of Rare-earth Ions on SiO2–Na2O–RE2O3 Glass Structure”, Journal of Physics: Condensed Matter, 23 065404 (13pp) (2011).
  2. J. Du and L. Kokou, “Europium Environment and Clustering in Europium Doped Silica and Sodium Silicate Glasses”, Journal of Non-Crystalline Solids, in press, (2011, published online. DOI:10.1016/j.jnoncrysol.2010.11.088).
  3. M. Chaudhari and J. Du, “Reaction mechanisms of thermal atomic oxygen interaction with organosilicate low k dielectric materials from ab initio molecular dynamics simulations”, Journal of Vacuum Science and Technology A, in press, (2011, published online. DOI: 10.1116/1.3568963).
  4.  J. Du, L. Kokou, J. R. Rygel, Y. Chen, C. Pantano, R. Woodman and J. Belcher, “Structure of Cerium Phosphate Glasses: Molecular Dynamics Simulations”, Journal of American Ceramic Society, in press (2011, published online. DOI: 10.1111/j.1551-2916.2011.04514.x)
  5. J. Du, R. Davanathan, L. René Corrales, W. J. Weber, “First-principles calculations of the electronic structure, phase transition and properties of ZrSiO4 polymorphs”, Computational and Theoretical Chemistry, in press (2011, published online. DOI:10.1016/j.comptc.2011.03.033).
  6. Y. Xiang and J. Du, “Effect of Strontium Substitution on the Structure of 45S5 Bioglasses”, Chemistry of Materials, in press (2011, DOI: dx.doi.org/10.1021/cm102889q).

2010

  1. K. S. Raines, S. Salha, R. L. Sandberg, H. Jiang, J. A. Rodriguez, B. P. Fahimian, H. C. Kapteyn, J. Du and J. Miao, "Three-dimensional Structure Determination from a Single View", Nature 463, 214-217 (2010, doi:10.1038/nature08705).
  2. D. Mei, J. Du and M. Neurock, "First-Principles-Based Kinetic Monte Carlo Simulation of Nitric Oxide Reduction over Platinum Nanoparticles under Lean-Burn Conditions", Industrial and Engineering Chemical Research, 49, 10364–10373 (2010).
  3. J. Y. Hwang, A. R. P. Singh,  M. Chaudhari, J. Tiley, Y. Zhu,  J. Du, and R. Banerjee, "Templated Growth of Hexagonal Nickel Carbide Nanocrystals on Vertically Aligned Carbon Nanotubes", Journal of Physical Chemistry C, 114 10424-10429 (2010).
  4. J. Du and P. Kroll, "Electronic structure and interfacial properties of germanium nano-clusters embedded in amorphous silica", Journal of Non-Crystalline Solids, 356, 2448-2453, (2010).
  5. C.J. Benmore, J.K.R. Weber, M.C. Wilding, J. Du and J.B. Parise, "Temperature dependent structural heterogeneity in calcium silicate liquids", Physical Review B, 82, 224202 (6pp) (2010).

2009

  1. M. Chaudhari, J. Du, S. Behera, S. Manandhar, S. Gaddam, and J. Kelber, "Fundamental mechanisms of oxygen plasma-induced damage of ultralow-k organosilicate materials: The role of thermal 3P atomic oxygen", Applied Physics Letter, 94 204102 (3pp) (2009).
  2. J. Du, C. Benmore, L. R. Corrales, R. Hart, R. Weber, "A molecular dynamics simulation interpretation of neutron and x-ray diffraction measurements on single phase  Y2O3–Al2O3 glasses", Journal of Physics Condensed Matter, 21 205102 (9pp) (2009).
  3. J. Du, "Molecular Dynamics Simulations of the Structure and Properties of Low Silica Yttrium Aluminosilicate Glasses", Journal of American Ceramic Society, 92 87-95 (2009).
  4. J. Du, "Molecular Dynamics Simulations of Displacement Cascades in Single and Polycrystalline Zirconia", American Institute of Physics Conference Proceeding, Vol. 1099, 981-984 (2009).

2007

  1. F. Gao, J. Du, E. J. Bylaska, M. Posselt, W. J. Weber, "ab initio atomic simulations of antisite pair recovery in cubic silicon carbide", Applied Physics Letters, 90 221915 (2007).
  2. J. Du and L. R. Corrales, K. Tsemekhman, J. Bylaska, "Electron, Hole and Exciton Self-trapping in Germanium-doped Silica Glass from DFT Calculations with Self-interaction Correction", Nuclear Instruments and Methods in Physics Research B, 255 188-194 (2007).
  3. J. Du and L. R. Corrales, "Understanding Lanthanum Aluminate Glass Structure by Correlating Molecular Dynamics Simulation Results with Neutron and X-Ray Scattering Data", Journal of Non-Crystalline Solids, 353 210-214 (2007).
  4. J. Du and L. R. Corrales, "Erbium Implantation in Silica Glass Studied by Molecular Dynamics Simulation", Nuclear Instruments and Methods in Physics Research B, 255 177-182 (2007).
  5. R. Devanathan, P. Durham, J. Du, L. R. Corrales, E. M. Bringa, "Molecular Dynamics Simulation of Amorphization of Forsterite by Cosmic Rays", Nuclear Instruments and Methods in Physics Research B, 255 172-176 (2007).

2006

  1. J. Du, R. Devanathan, L. R. Corrales, W. J. Webber, and A. N. Cormack, "Short- and Medium-range Structure of Amorphous Zircon from Molecular Dynamics Simulations", Physical Review B, 74 214204 (2006).
  2. J. Du and L. R. Corrales, "Characterization the Structural and Electronic Properties of Crystalline Lithium Silicates from DFT Calculations", Journal of Physical Chemistry B, 110 (45) 22346-22352 (2006).
  3. J. Du and L. R. Corrales, "ab initio Molecular Dynamics Study of the Structure, Dynamics, and Electronic Properties of Lithium Disilicate Melt and Glass", Journal of Chemical Physics, 125 114702 (2006).
  4. J. Du and L. R. Corrales, "Compositional Dependence of the First Sharp Diffraction Peaks of Alkali Silicate Glasses", Journal of Non-Crystalline Solids, 352 3255-3269 (2006).
  5. L. R. Corrales and J. Du, "Characterization of Ion Distributions near the Surface of Sodium Containing and Sodium Depleted Calcium Aluminosilicate Glass Melts", Journal of American Ceramic Society, 89 36-41 (2006).

2005

  1. L. R. Corrales and J. Du, "Thermal Kinetics of Glass Simulations", Physics and Chemistry of Glasses, 46 420-424 (2005).
  2. J. Du and L. R. Corrales, "The First Sharp Diffraction Peaks in Silicate Glasses: Structure and Scattering Length Dependence", Physical Review B, 72 092201 (2005).
  3. J. Du and A. N. Cormack, "Molecular Dynamics Simulation of the Structure and Hydroxylation of Silica Glass Surface,"Journal of American Ceramic Society, 88 2532-2539 (2005).
  4. J. Du and A. N. Cormack, "The Structure of Erbium Doped Sodium Silicate Glasses,"Journal of Non-Crystalline Solids, 351 2263-2276 (2005).
  5. J. Walker, A. Michtich, J. Du, N. Karkare, S. Saha, "A Bioglass Based Bone Substitute Material: A Preliminary Study". International Journal of Medical Implants and Devices, 1, 35-38 (2005)

2004 and earlier

  1. J. Du and A. N. Cormack, "The Medium Range Structure of Sodium Silicate Glasses,"Journal of Non-Crystalline Solids, 349 66-79 (2004).
  2. A. N. Cormack, J. Du, and T. R. Zeitler, "Sodium Ion Migration Mechanisms in Silicate Glasses Probed by Molecular Dynamics Simulations," Journal of Non-Crystalline Solids, 323 147-154 (2003).
  3. J. Du and A. N. Cormack, "Structure Study of Rare Earth Doped Vitreous Silica by Molecular Dynamics Simulation," Radiation Effects & Defects in Solids, 157 789-794 (2002).
  4. A. N. Cormack, J. Du, and Z. R. Todd, "Alkali Ion Migration Mechanisms in Silicate Glasses Probed by Molecular Dynamics Simulations," Physical Chemistry and Chemical Physics, 4 3193-3197 (2002).
  5. M. Montorsi, C. Leonelli, M. C. Menziani, J. Du, and A. N. Cormack, "Molecular Dynamics Study of Zirconia Containing Glasses," Physics and Chemistry of Glasses, 43 [2] 137-142 (2002).
  6. A. N. Cormack and J. Du, "Molecular Dynamics Simulation of Soda-Lime-Silicate Glasses," Journal of Non-Crystalline Solids, 293-295 283-289 (2001).
  7. J. Yu, X. Zhao, J. Du, and W. Chen, "Preparation, Microstructure and Photocatalytic Activity of the Porous TiO2 Anatase Coating by Sol-Gel Processing," Journal of Sol-Gel Science and Technology, 17 [2] 163-171 (2000).
  8. J. Du, W. Lin, and X. Zhao, "The Preparation and Optical Properties of Silver Containing Polarizing Glasses," Acta Optica Sinica, 19 [5] 689-693 (1999).
  9. J. Zhang, J. Du, X. Zhao, and K. Xie, "Structure Stduy of Ge-As-Te Glass by X-Ray Diffraction and Reverse Monte Carlo Computer Simulation," Journal of Inorganic Materials, 14 [3] 23-26 (1999).
  10. J. Du, J. Zhang, and X. Zhao, "Structural Study of Chalcogenide Glasses by Reverse Monte Carlo Computer Simulation," Chinese Journal of Materials Research, 12 [2] 191-194 (1998).

 
  University of North Texas :: Department of Materials Science and Engineering This page was last updated on May 5, 2011