Jincheng_Du_CV_072011

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					                              JINCHENG DU, Ph. D.

            Assistant Professor
     Department of Materials Science and                  Office: Discovery Park E-124
                Engineering                                   Phone: 940-369-8184
         University of North Texas                            Fax: 940-565-4824
        1155 Union Circle # 305310                        Email: jincheng.du@unt.edu
        Denton, Texas 76203-50177                       Web: http://www.mtse.unt.edu/Du/


EDUCATION
Ph.D. in Ceramics, New York State College of Ceramics, Alfred University, Alfred, NY (4/2004)
   Dissertation: “Molecular Dynamics Simulation of Silicate Glasses Containing Rare Earth
   Ions and Hydroxyl Groups”. Advisor: Prof. Alastair Cormack.
M.S. in Inorganic Materials, Wuhan University of Technology, Wuhan, China (7/1995)
   Thesis: “Formation, Structure and Properties of Sb-Se-Cu-I Chalcohalide Glasses”. Advisor:
   Prof. Xiujian Zhao
B.S. in Material Science, Wuhan University of Technology, Wuhan, China (7/1992)

EXPERIENCES
Sept. 2007 – present     Assistant Professor, Department of Materials Science and Engineering,
                        University of North Texas, Denton, TX
Nov. 2006 – Sept. 2007 Research associate, Department of Chemical Engineering, University of
                        Virginia, Charlottesville, VA (Supervisor: Prof. Matt Neurock)
May 2004 – Oct. 2006 Postdoc Research Associate, Chemical and Material Science Division,
                        Pacific Northwest National Laboratory, Richland, WA (Advisor: Dr. L.
                        René Corrales)
Sept. 1999 - April 2004 Graduate research assistant, New York State College of Ceramics,
                        Alfred University, Alfred, NY (Advisor: Prof. Alastair N. Cormack)
July 1995 - Aug. 1999 Research associate, Lecturer, State Key Lab of Advanced Technology
                        for Materials Synthesis and Processing, Wuhan University of
                        Technology, Wuhan, China

HONORS / AWARDS
Mar. 2011 - Chair of Technical Committee TC27 “Atomistic Modeling and Simulation of
            Glass”, International Commission on Glasses (ICG).
Jan. 2009 - Technical Committee Member, TC27 “Atomistic Modeling and Simulation of
            Glass”, International Commission on Glasses (ICG).
May 2011    Session organizer and chair, “Atomistic Modeling of Glasses and Interfaces”,
            American Ceramic Society, Glass and Optical Materials (GOMD) annual
            meeting, Savannah, GA.
Mar. 2011   Co-organizer, “Multiscale Modeling” focus session, Session chair “Focus
            Session: Multiscale Modeling – Methodology and Applications”, American
            Physical Society (APS) 2011 annual meeting, Dallas, TX.




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Jan. 2010      Session co-chair of the “Characterization of Interfaces/Grain Boundaries and
               Design of New Ceramics”, 34th International Conference and Exposition on
               Advanced Ceramics and Composites, Daytona Beach, Florida.
May 2010       Session co-chair of the “Atomistic Modeling of Glasses” session, American
               Ceramic Society, Glass and Optical Materials (GOMD) annual meeting, Corning
               NY.
Sept. 2009     Session chair of the “Quantum Dots” session, XII International Conference of
               Physics of Non-Crystalline Solids (PNCS), Iguassu Falls, Brazil.
Sept. 2009 -   Alpha Sigma Mu
Sept. 2008     University of North Texas, Research Initiation Grant (RIG) Award
May 2003       Outstanding Leadership Award of Student Organizations, Alfred University
Jan. 1999      Science and Technology Progress Award of the Ministry of Education of China
Sept. 1995     Excellent Thesis Award of Wuhan University of Technology

FUNDING SUPPORT
PI and co-PI
1. National Science Foundation (NSF), “Integrated Experimental and Simulation Studies of
    the Structure and Dissolution Mechanism of Bioactive Glasses”, PI, $220,000 (2009-2012).
2. Air Force Research Laboratory (AFRL), “Molecular Dynamics Simulations of Cerium
    Containing Glasses”, subcontract PI, $89,000 (2009-2010).
3. National Science Foundation (NSF), “Metalloaromatic Multinuclear Complexes of
    Monovalent Coinage Metals”, co-PI, (PI: Mohammad Omary, co-PIs: Tom Cundari, Bruce
    Gnade (UTD)) $1,300,000 (2009-2012).
4. National Science Foundation (NSF), “In situ Formation of Refractory Carbide Coatings
    with Protective Magneli Phases”, co-PI, (PI: Thomas Scharf) $282,079 (2011-2014).
5. Semiconductor Research Corporation (SRC), “Predictive Simulations of Plasma Induced
    Surface Modifications of Organosilicate Low k Materials”, PI, $33,000 (2011-2012).
6. Semiconductor Research Corporation (SRC), “Predictive ab initio Simulations of
    Plasma/Free Radical- Surface Interactions”, PI, $33,000 (2010-2011).
7. National Science Foundation (NSF) International Materials Institute (IMI) of New
    Functionality in Glasses, Research Exchange Grant, “Structural role of strontium in
    bioactive glasses: bridging the experimental and simulation studies across the ocean”, PI,
    $13,600 (2011).
8. University of North Texas, Research Opportunity Grant, “Improving the Ionic
    Conductivity of Lithium Ion Solid State Electrolyte and Electrode Materials through Defect and
    Interface Studies”, PI, $7,500 (2011-2012).
9. University of North Texas, Research Initiation Grant, “Computer Simulation of Nano-
    porous Amorphous Silica”, PI, $5,000 (2008-2009).

Senior Investigator
10. Department of Energy (DOE), “Catalytic Strategies for Increased Utilization of Carbon
    Dioxide”, (PI: Angela Wilson), $770,000 (2009-2011).
11. Air Force Research Laboratory (AFRL), Institute for Scientific and Engineering
    Simulation (ISES), (PI: Raj Banerjee), $8,200,000 (2009-2013).




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12. Department of Energy (DOE), Energy Frontier Research Centers, “Center for Catalytic
    Hydrocarbon Functionalization”, (PI: T. Brent Gunnoe (UVa), Co-PI: Tom Cundari (UNT)),
    $750,000 (2009-2014).
13. National Science Foundation (NSF), “EAGER: Workfunction modification of ZnO for
    anode applications in second generation organic light emitting diodes for solid state lighting”,
    (PI: Nigel Shepherd), $75,000 (2010-2011).

TEACHING AND COURSE DEVELOPMENT
  Introduction to Material Science and Engineering
  Imperfections in Solids
  Computational Material Science
  Materials Processing Lab (MSE undergraduate)

STUDENT ADVISING
Current students:
Advisor: Mrunal Chaudhari, Ye Xiang, Yun Li (Ph. D.); Leopold Kokou, Chau-Hsu Chen
   (M.S.); Wei Sun (Ph.D., co-advisor with Prof. Tom Scharf), Hui Che (Ph.D., co-adivsor with
   Prof. Mohamed El Bouanani)
Committee: Hetesh Vora (MTSE Ph.D.), Josh Gibson, Bhaskar Chilukuri, Frank L. Pasquale,
   Sneha Sen (Chemistry Ph.D.)

Graduated:
Advisor: Lawrence Kuo (BS), Andrew Huang (TAMS)
Committee: Eric Osei Yiadom, Benedict Anyamesem Mensah, Minghang Li, Ming-Te Lin, Fang-
   Lin Kuo, Mohammad Maneshian (MTSE Ph.D.); Madhuri Dutta, Nelson Martinez (MTSE
   M.S.); Glenn Morello, Joyce Chen (Chemistry Ph.D.); Swayambhu Behera (Physics Ph.D.)

PROFESSIONAL AFFILIATIONS
Material Research Society                        American Physical Society
American Ceramic Society                         National Institute of Ceramic Engineers (NICE)
American Chemical Society                        Keramos
TMS International                                American Society of Metal

SYNEGISTIC ACCITIVITIES
UNT Research Cluster Member:
Materials Modeling Research Cluster
Renewable Energy and Conservation Research Cluster
Computational Chemical Biology Research Cluster

Departmental Faculty Committee:
Graduate Admission Committee
Undergraduate Academic Committee

Faculty Search Committee:
Materials Modeling Cluster, search of junior faculty position on Meso-scale Modeling, 2009
Materials Modeling Cluster, search of senior faculty position on Multi-scale Modeling, 2009


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Department of Mathematics, search of senior faculty position on applied mathematics, 2010
UNT Materials Modeling Cluster, search of senior faculty position on Electronic Structure
   Calculations and Solid State Physics, 2010

Proposal Reviewer:
Department of Energy (DOE), Basic Energy Science Program 2009.
National Science Foundation (NSF), Division of Materials Research (DMR) 2010.
National Science Foundation (NSF), International Research Fellowship Program, 2011.

Journal Reviewer:
Journal of the American Ceramic Society, Journal of Non-Crystalline Solids, Physical Review B,
   Journal of Material Research, Material Research Bulletin, and Chemical Physics Letters,
   Chemistry of Materials, Surface Science, Journal of Chemical Physics, Catalysis Today,
   Physical Chemistry and Chemical Physics, Acta Materialia

Faculty Advisor:
Materials Advantage University of North Texas Chapter (2009-present).

Judge:
Poster competition of the Society of Advancing Hispanics/Chicanos & Native Americans in
   Science CSACNAS 2009 National Conference.

Other committees:
UNT teaching evaluation committee, representing the College of Engineering. (2008).
College of Engineering Strategic plan committee, generated UNT CoE strategic plan for the next
   five years (2009).
UNT VP Research Office Research Initiation Grant (RIG) panel review member (2010).

PUBLICATIONS
Peer reviewed journal articles:
43. J. Mauro and J. Du, “Achieving long time scale simulations of glass-forming systems”,
    Computational and Theoretical Chemistry, in press (2011).
42. J. L. Rygel, Y. Chen, C. G. Pantano, J. Du, L. Kokou, R. Woodman, and J. Belcher, “Local
    Structure of Cerium in Aluminophosphate and Silicophosphate Glasses”, Journal of
    American Ceramic Society, in press (2011).
41. 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).
40. 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)
39. 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).
38. M. Chaudhari and J. Du, “Reaction mechanisms of thermal atomic oxygen interaction with
    organosilicate low k dielectric materials from ab initio molecular dynamics simulations”,


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    Journal of Vacuum Science and Technology A, in press, (2011, published online. DOI:
    10.1116/1.3568963).
37. J. Du and L. Kokou, “Europium Environment and Clustering in Europium Doped Silica and
    Sodium Silicate Glasses”, Journal of Non-Crystalline Solids, 357 2235-2240, (2011).
36. 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).
35. 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).
34. 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).
33. 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).
32. 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).
31. 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).
30. 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 1-4 (2009).
29. 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).
28. 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).
27. 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).
26. 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).
25. 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).
24. 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).
23. 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).




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22. 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).
21. 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).
20. 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).
19. 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).
18. 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).
17. L. R. Corrales and J. Du, "Thermal Kinetics of Glass Simulations", Physics and Chemistry of
    Glasses, 46 420-424 (2005).
16. 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).
15. 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).
14. J. Du and A. N. Cormack, "The Structure of Erbium Doped Sodium Silicate Glasses,"
    Journal of Non-Crystalline Solids, 351 2263-2276 (2005).
13. 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)
12. J. Du and A. N. Cormack, "The Medium Range Structure of Sodium Silicate Glasses,"
    Journal of Non-Crystalline Solids, 349 66-79 (2004).
11. 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).
10. 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).
9. 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,
    43193-3197 (2002).
8. M. Montorsi, C. Leonelli, M. C. Menziani, J. Du, and A. N. Cormack, "Molecular
    DynamicsStudy of Zirconia Containing Glasses," Physics and Chemistry of Glasses, 43 [2]
    137-142 (2002).
7. A. N. Cormack and J. Du, "Molecular Dynamics Simulation of Soda-Lime-Silicate Glasses,"
    Journal of Non-Crystalline Solids, 293-295 283-289 (2001).
6. 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).




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5. 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).
4. K. Xie, J. Zhang, J. Du, and X. Zhao, "Glass Formation of As2Te3 Based Novel Chalcohalide
   Glasses," Journal of Wuhan University of Technology, 20 [4] 1-5 (1999).
3. 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).
2. J. Du, J. Zhang, and X. Zhao, "Structural Study of Chalcogenide Glasses by Reverse Monte
   Carlo Computer Simulation," Chinese Journal of Material Research, 12 [2] 191-194 (1998).
1. J. Du and X. Zhao, "The Influence of the Copper Valence on the Properties of Sb2Se3-Cu2Se-
   CuI Chalcohalide Glasses," Chinese Journal of Material Research, 11 99-101 (1997).

Peer Reviewed Conference Proceedings:
13. Y. Xiang and J. Du, “Structure and Dynamic Properties of Bioactive Glasses for Bioactive
    Coatings”, Proceeding of 27th Southern Biomedical Engineering Conference (SBEC),
    Arlington, TX, (2011).
12. M. Chaudhari, J. Du, J. Tiley, and R. Banerjee, “Density Functional Theory Based
    Calculations of Site Occupancy in the Gamma Prime Ni3Al Phase of Nickel Based Super
    Alloys”, Proceeding of 1st World Congress on Integrated Computational Materials
    Engineering (ICME), (2011).
11. Yun Li and J. Du, “First Principle Calculations of Electronic Properties of Pentacene and
    Perfluoro-Pentacene”, Proceedings of Material Science and Technology (MS&T 2010), 656-
    667 (2010).
10. J. Du and Mrunal Chaudhari, “First principles molecular dynamic simulations of oxygen
    plasma etching of organosilicate low dielectric materials”, Proceeding of 34th International
    Conference on Advanced Ceramics & Composites, 1-7 (2010).
9. J. Du, “Structure and Properties of Rare Earth Aluminosilicate Glasses, a Molecular
    Dynamics Simulation”, XIII North American Thermal Analysis Society Annual Meeting
    Proceeding 1-6 (2009).
8. J. Du, “Molecular Dynamics Simulations of Displacement Cascades in Single and
    Polycrystalline Zirconia”, American Institute of Physics Conference Proceeding, Vol. 1099,
    981-984 (2009).
7. J. Walker, A. Michtich, J. Du, N. Karkare, S. Saha, "A New Multiphase Injectable Bone
    Substitute", in Proceeding of Trans. 22nd Southern Biomedical Engineering Conference and
    Symposium on Aortic Valve Sparing Surgery (Charlotte, NC), 145-148 (2003)
6. A. N. Cormack, J. Du and T. Zeitler, “Molecular Modeling of Glasses”, in Proceeding of 19th
    International Congress on Glass (Edinburgh, UK), 266-70, 2001.
5. H. Zhang, J. Du, and X. Zhao, "Study of Second Homonic Generation (SHG) of Electrically
    Poled and Electron Beam Irritated PbO-SiO2-K2O Glasses," in Proceeding of 3rd National
    Conference on Functional Materials and Their Applications (Chongqing), 182-184 (1999).
4. J. Du, J. Zhang, K. Xie, and X. Zhao, "The Progress of Chalcogenide Glass Fibers for
    Infrared Transmission," in Proceeding of 8th Conference on Optical Fiber Communication
    and the 9th Seminar on Integrated Optics of China (Wuhan), 503-506 (1997).
3. W. Chen, J. Du, and X. Zhao, "Study on the Photocatalytic Activity of the Porous Nano-
    Structured TiO2 Thin Film Prepared by Sol-Gel Method," in Proceeding of Material Science
    and Engineering meeting on Sol-Gel Science, 257-261 (1997).



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2. J. Liu, J. Du, and X. Zhao, "Reverse Monte Carlo Computer Simulation Method and Its
   Application in the Structural Study of Te-As-Ag Chalcogenide Glasses," in Proceeding of 4th
   Conference on Applied Mathematics (Shanghai), 624-628 (1996).
1. J. Du and X. Zhao, "Some Properties of Sb2Se3-Cu2Se-CuI Chalcogenide Glasses," in
   Proceeding of XVII International Congress on Glasses (Beijing), 5 647-652 (1995).

Technical Reports:
5. J. Du, L. Kokou, Yun Li, “Physical Modeling of Cerium Doped Cover Glasses”, Technical
   Report to AFRL (June 1, 2010).
4. J. Du, L. Kokou, Yun Li, “Density Functional Theory Calculations of Charge Trapping in
   Glasses without Cerium Ions”, Technical Report to AFRL (April 30, 2010).
3. J. Du and L. Kokou, “Molecular Dynamics Simulations of Cerium Doped Phosphosilicate,
   Aluminophosphate and Aluminophosphosilicate Glasses”, Technical Report to AFRL (Feb. 1,
   2010).
2. J. Du and L. Kokou, “Molecular Dynamics Simulations of Cerium Doped Aluminophosphate
   and Aluminosphosphosilicate Glasses”, Technical Report to AFRL (Oct. 30, 2009).
1. J. Du and L. Kokou, A. Hwang, “Molecular Dynamics Simulations of Cerium Doped
   Aluminophosphate Glasses”, Technical Report to AFRL (Aug. 1, 2009).

PRESENTATIONS
Invited Seminar or Presentations:

1.   Mini-symposium on Bioactive Glasses at Queen Mary University of London, “Structural and
     dynamic properties of strontium containing bioactive glasses”, London, UK (June, 2011).
2.   Material Science and Technology (MS&T 2010), “Effect of Strontium Substitution on the
     Structure and Diffusion Behaviors of Bioactive Glasses”, Houston, TX (Oct. 2010).
3.   Department of Chemistry, University of North Texas (UNT), “Window to the Future: Insight
     on the Structure and Properties of New Functional Glasses from Computer Simulations”,
     Denton, TX (Sept. 2010).
4.   2010 National Institute of Standards and Technology (NIST) Workshop on Atomistic
     Simulations for Industrial Needs, “Molecular Dynamics Simulations of Multi-component
     Oxide Glasses”, Gaithersburg, MD (July, 2010).
5.   Wuhan University of Technology, Key Laboratory of Silicate Materials Research, “First
     Principles Calculations of Phase Transition and Electronic Properties of Ceramics and
     Semiconductor Embedded in Amorphous Silica”, Wuhan, China (June, 2010).
6.   Chinese Building Materials Academy, “Computer Simulations and Applications in Glass
     Researches”, Beijing, China (June, 2010).
7.   Shanghai Institute of Optics, Chinese Academy of Science, “Computer simulations of
     radiation induced defect formation and rare earth ion clustering in silicate glasses”,
     Shanghai, China (June, 2010).
8.   American Ceramic Society Glass and Optical Materials Division meeting (GOMD 2010),
     “Understanding the Structures and Properties of Silicate and Aluminosilicate Glasses from
     Classical and ab initio Molecular Dynamics Simulations”, Corning, NY (May, 2010).
9.   Beijing University of Aeronautics and Astronautics, Department of Physics, “Molecular
     Dynamics Simulations of Energetic Particle Interaction with Materials”, Beijing, China
     (Aug. 2009).



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10. Wuhan University of Technology, Key Laboratory of Silicate Materials Research,
    “Understanding the Structure and Dynamic Properties of Glass Materials using Atomistic
    Computer Simulations”, Wuhan, China (Aug. 2009).
11. University of North Texas, Materials Science and Engineering Seminar Series, “From Glass
    to Polycrystalline Ceramics: How Modeling and Simulations Contribute to Our
    Understanding of Engineering Materials”, Denton, TX (Nov. 2008).
12. 20th International Conference on the Application of Accelerators in Research and Industry
    (CAARI), “Molecular Dynamics Simulations of Radiation Induced Structure Changes during
    Ion Implantation in Oxide Ceramics”, Fort Worth, TX (Aug. 2008).

General Presentations (* presenter):

13. J. Du* and L. Kokou, American Ceramic Society Glass and Optical Materials Division
    meeting (GOMD 2011), “Effect of field strength of cations on aluminum coordination
    number in aluminosilicate glasses”, Savannah, GA (May, 2011)
14. J. Du* and Y. Xiang, 27th Southern Biomedical Engineering Conference (SBEC), “Structure
    and Dynamic Properties of Bioactive Glasses”, Arlington, TX, (April, 2011).
15. Y. Li* and J. Du, American Physical Society (APS) Annual Meeting, “Surface Structure and
    Work Function of ZnO Based on First Principles DFT Calculations”, Dallas, TX (March,
    2011).
16. L. Kokou*, Y. Li, and J. Du, American Physical Society (APS) Annual Meeting, “Structure
    of charge trapping in cerium-doped aluminophosphate and phosphosilicate glasses:
    combining molecular dynamics simulations and DFT calculations”, Dallas, TX (March,
    2011).
17. Y. Xiang* and J. Du, American Physical Society (APS) Annual Meeting, “Computational
    study on ionic diffusion and dynamic properties in silicate and bioactive glasses”, Dallas, TX
    (March, 2011).
18. J. Du* and M. Chaudhari, American Physical Society (APS) Annual Meeting,
    “Thermodynamic properties of ZrSiO4 polymorphs from DFT based ab initio phonon
    calculations”, Dallas, TX (March, 2011).
19. M. Chaudhari* and J. Du, Material Science and Technology (MS&T 2010), “First principals
    calculations of site occupancy in ’-Ni3Al super alloys”, Houston, TX (Oct. 2010).
20. Y. Li* and J. Du, Material Science and Technology (MS&T 2010), “First principles
    calculations of structure and electronic properties of molecule crystal semiconductors”,
    Houston, TX (Oct. 2010).
21. L. Kuo* and J. Du, Material Science and Technology (MS&T 2010), “Reactive Force Field
    (ReaxFF) simulations of the surface of silica and water/silica interfaces”, Houston, TX (Oct.
    2010).
22. Y. Xiang* and J. Du, Material Science and Technology (MS&T 2010), “Molecular
    Dynamics Simulations of the Structure and Diffusion of Strontium Substituted Bioactive
    Glasses”, Houston, TX (Oct. 2010).
23. J. Du*, L. Kokou, and Y. Li, Material Science and Technology (MS&T 2010), “Structure
    and electronic properties of cerium doped phosphate glasses”, Houston, TX (Oct. 2010).
24. J. Du* and L. Kokou, 11th International Symposium of Non-oxide and New Optical Glasses
    (ISNOG2010), “Local Environment and Clustering of Rare Earth Ions in Doped Silica and
    Silicate Glasses”, Ningbo, China (June, 2010).



                                                9
25. J. Du* and Y. Xiang, American Ceramic Society Glass and Optical Materials Division
    meeting (GOMD 2010), “Effect of Strontium on the Atomic Structure and Ion Diffusion of
    Bioactive Glasses: a Molecular Dynamics Simulation Study”, Corning, NY (May, 2010).
26. J. Du*, L. Kokou, and Y. Li, American Ceramic Society Glass and Optical Materials
    Division meeting (GOMD 2010), “The Environments of Cerium ions in Cerium Doped
    Phosphate Glasses: Combining MD Simulations and ab initio DFT Calculations”, Corning,
    NY (May, 2010).
27. J. Du* and M. Chaudhari, 34th International Conference and Exposition on Advanced
    Ceramics and Composites, “First principle molecular dynamics simulations of plasma
    etching of organosilicate low dielectric materials”, Daytona Beach, Florida (Jan., 2010).
28. J. Du*, 37th Annual Conference of North American Thermal Analysis Society (NATAS),
    “Short and Medium Range Glass Structure, and Mechanical Properties of Yttrium
    Aluminosilicate Glasses: a Molecular Dynamics Simulation Study”, Lubbock, TX (Sept.
    2009).
29. J. Du*, XII International conference on Physics of Non-Crystalline Solids (PNCS),
    “Electronic structure and interface properties of Ge nano-cluster and Ge/Si core-shell cluster
    embedded in amorphous silica”, Igassu Falls, Brazil (Sept. 2009).
30. J. Du*, PACRIM8 Pacific Rim Conference on Glass and Ceramic Technology, “Molecular
    Dynamics Simulation of the Structure and Properties of Low Silica Yttrium Aluminosilicate
    Glasses” Vancouver, Canada (June 2009).
31. J. Du*, Pennsylvania State University, Material Research Laboratory, “Atomic and
    Electronic Structure of Cerium Aluminophosphate Glasses”, University Park, PA (April
    2009).
32. J. Du*, 2008 Glass and Optical Materials Meeting, “Fluorine distribution and structural
    relaxation in fluorine doped silica glasses”, Tucson, AZ (May 2008)
33. J. Du*, L. René Corrales, Kiril Tsemekhman, Eric J. Bylaska, 2008 Glass and Optical
    Materials Meeting, poster presentation, “Electronic Defects in Germanium Doped Silica
    Glass Studied using Density Functional Theory Calculations with Self-interaction
    Correction”, Tucson, AZ (May 2008)
34. J. Du*, L. René Corrales, Kiril Tsemekhman, Eric J. Bylaska, 8th International Conference
    on Computer Simulation of Radiation Effects in Solids (COSIRES), “Electron, Hole, and
    Exiton Self-trapping in Germanium Doped Silica Glass: a Density Functional Theory study”,
    poster presentation, Richland, WA (June, 2006)
35. J. Du* and L. René Corrales, 8th International Conference on Computer Simulation of
    Radiation Effects in Solids (COSIRES), “Erbium Implantation in Silica Glass Studied by
    Molecular Dynamics Simulation”, Richland, WA (June, 2006)
36. J. Du* and L. René Corrales, Glass and Optical Material Meeting, “Structure, Dynamics and
    Electronic Properties of Lithium Disilicate Melt and Glass from ab initio MD simulation”,
    Greenville, SC (April 2006)
37. J. Du* and L. René Corrales, Material Research Society Fall meeting, “Local Molecular
    Structure of Erbium Implanted Silica Glasses”, oral presentation, Boston, MA (November
    2005)
38. J. Du* and L. René Corrales, 2005 American Conference on Theoretical Chemistry (ACTC),
    “Compositional Dependence of the First Sharp Diffraction Peak in Alkali Silicate Glasses”,
    poster presentation, Los Angeles, CA, (July 2005)




                                               10
39. J. Du* and L. René Corrales, 107th Annual Meeting of the American Ceramic Society,
    “Compositional Dependence of the First Sharp Diffraction Peak in Silicate Glasses”,
    Baltimore, MD (April, 2005)
40. J. Du* and L. René Corrales, 2004 the American Ceramic Society Glass and Optical
    Materials Division Fall meeting, “Understanding the Structure of Lanthanum Aluminate
    Glasses by Computer Simulation”, poster presentation, Cape Canaveral, FL (Nov. 2004)
41. J. Du* and A. N. Cormack, 106th Annual Meeting of the American Ceramic Society,
    “Molecular Dynamics Simulations of Silica Melts”, Indianapolis, IN (April 2004)
42. J. Du* and A. N. Cormack, the American Ceramic Society Glass and Optical Materials
    Division Fall meeting, “A Structural Study of Erbium Doped Sodium Silicate Glasses by
    Molecular Dynamics Simulation”, Corning, NY (Oct. 2003)
43. J. Du* and A. N. Cormack, the American Ceramic Society Glass and Optical Materials
    Division Fall meeting, “Hydroxyl Groups in Bulk and Surface Vitreous Silica: A Molecular
    Dynamics Study”, Corning, NY (Oct. 2003)
44. J. Du* and A. N. Cormack, The 16th University Conference on Glass Science, “The Medium
    Range Structure of Sodium Silicate Glasses”, poster presentation, Troy, NY (Aug. 2003)
45. J. Du* and A. N. Cormack, 105th Annual Meeting of the American Ceramic Society,
    “Hydroxyl Groups in Silica and Sodium Silicate Glasses: A Molecular Dynamics Study”,
    Nashville, TN (April, 2003)
46. J. Du* and A. N. Cormack, the American Ceramic Society Glass and Optical Materials
    Division Fall meeting, “Hydroxyl Groups in Bulk and Surface Vitreous Silica: A Molecular
    Dynamics Study”, Pittsburg, PA (Oct. 2002)
47. J. Du* and A. N. Cormack, the American Ceramic Society Glass and Optical Materials
    Division Fall meeting, “Erbium Environment in Erbium/Sodium and Erbium/Phosphorus
    Co-doped Vitreous Silica”, oral presentation, Pittsburg, PA (Oct. 2002)
48. J. Du* and A. N. Cormack, 104th Annual Meeting of the American Ceramic Society,
    “Clustering in Erbium Doped and Erbium/Aluminum Co-Doped Vitreous Silica”, St. Louis,
    MO (April, 2002)
49. A. N. Cormack* and J. Du, The Fourth Pacific Rim Conference on Advanced Ceramics and
    Glasses, Ceramic Armor Materials by Design: PAC RIM 4, “The Structure of Rubidium-
    Cesium Silicate Glasses”, oral presentation, Maui, HI (Nov. 2001)
50. J. Du* and A. N. Cormack, 103th Annual Meeting of the American Ceramic Society,
    “Erbium Environment in Lightly Doped Vitreous Silica: Molecular Dynamics Study with
    Big Modeling Cell”, Indianapolis, IN (April 2001)
51. J. Du* and A. N. Cormack, 102th Annual Meeting of the American Ceramic Society, “Study
    of Structure of Soda-lime-silicate Glasses by Molecular Dynamics Simulation”, St. Louis,
    MO (April 2000)


                                                        Last update: 7/6/2011




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