Strategic Materials and Computational Design, Volume 31, Issue 10

Contributions from three Focused Sessions that were part of the 34th International Conference on Advanced Ceramics and Composites (ICACC), in Daytona Beach, FL, January 24-29, 2010 are presented in this volume. The broad range of topics is captured by the Focused Session titles, which are listed as follows: FS1 - Geopolymers and other Inorganic Polymers; FS3 - Computational Design, Modeling Simulation and Characterization of Ceramics and Composites; and FS4 - Nanolaminated Ternary Carbides and Nitrides (MAX Phases). The session on Geopolymers and other Inorganic Polymers continues to attract growing attention from international researchers (USA, Australia, France, Germany, Italy, Czech Republic, and Viet Nam) and it is encouraging to see the variety of established and new applications being found for these novel and potentially useful materials. The session organizer gratefully acknowledges the support of the US Air Force Office of Scientific Research (AFOSR) through Dr. Joan Fuller. The AFOSR has continuously supported these conferences since the first meeting in Nashville, TN in 2003. Focused Session 3 was dedicated to design, modeling, simulation and characterization of ceramics and composites. 27 technical papers were presented on prediction of crystal structure and phase stability, characterization of interfaces and grain boundaries at atomic scale, optimization of electrical, optical and mechanical properties, modeling of defects and related properties, design of materials and components at different length scales, application of novel computational methods for processing. Four of these papers are included in this issue of CESP. Focused Session 4 was dedicated to MAX phases - a class of ternary carbides and nitrides with nanolaminated structure and general formula Mn+1AXn (where M is an early transition metal, A is an A-group element from IIIA to VIA, X is either C or N, and n=1, 2, 3 …). The MAX phases have attracted recently a lot of attention because they possess unique combination of metallic- and ceramic-like properties. In all, 30 technical papers were presented during this session. Four of these papers are included in this issue.

Preface ix Introduction xi GEOPOLYMERS AND OTHER INORGANIC POLYMERS Geomaterial Foam to Reinforce Wood 3 E. Prud'homme, P. Michaud, C. Peyratout, A. Smith, S. Rossignol, E. Joussein, and N. Sauvât Effect of Curing Conditions on the Porosity Characteristics of Metakaolin-Fly Ash Geopolymers 11 Tammy L. Metroke, Michael V. Henley, and Michael I. Hammons New Insights on Geopolymerisation using Molybdate, Raman, and Infrared Spectroscopy 17 C. H. Rüscher, E. Mielcarek, J. Wongpa, F. Jirasit, and W. Lutz Transformation of Polysialate Matrixes from Al-Rich and Si-Rich Metakaolins: Polycondensation and Physico-Chemical Properties 35 Elie Kamseu and Cristina Leonelli Effect of High Tensile Strength Polypropylene Chopped Fiber Reinforcements on the Mechanical Properties of Sodium Based Geopolymer Composites 47 Daniel R. Lowry and Waltraud M. Kriven Properties of Basalt Fiber Reinforced Geopolymer Composites 51 E. Rill, D. R. Lowry, and W. M. Kriven Novel Applications of Metal-Geopolymers 69 Oleg Bortnovsky, Petr Bezucha, Petr Sazama, Jiri Dëdecek, Zdena Tvarùzkovâ, and Zdenék Sobalik Making Foamed Concretes from Fly Ash Based on Geopolymer Method 83 Nhi Tuan Pham and Hoang Huy Le Preparation of Electrically Conductive Materials Based on Geopolymers with Graphite 91 Z. Cerny, I. Jakubec, P. Bezdicka, L. Sulc, J. Machacek, J. Bludskâ, and P. Roubicek Effect of Synthesis Parameters and Post-Cure Temperature on the Mechanical Properties of Geopolymers Containing Slag 101 Tammy L. Metroke, Brian Evans, Jeff Eichler, Michael I. Hammons, and Michael V. Henley COMPUTATIONAL DESIGN, MODELING, SIMULATION AND CHARACTERIZATION Electronic Structure and Band-Gaps of Eu-Doped LaSi3N5 Ternary Nitrides 109 L. Benco, Z. Lences, and P. Sajgalik First Principle Molecular Dynamic Simulations of Oxygen Plasma Etching of Organosilicate Low Dielectric Materials 119 Jincheng Du and Mrunal Chaudhari Kinetic Monte Carlo Simulation of Cation Diffusion in Yttria-Stabilized Zirconia 127 Brian Good Dynamic Neutron Diffraction Study of Thermal Stability and Self-Recovery in Aluminium Titanate 139 I. M. Low and Z. Oo NANOLAMINATED TERNARY CARBIDES AND NITRIDES Titanium and Aluminium Based Compounds as a Precursor for SHSofTi2AIN 153 L. Chlubny, J. Lis, and M. M. Bucko Investigations on the Oxidation Behavior of Max-Phase Based Ti2AIC Coatings on 7-TiAI 161 Maik Fröhlich Study of High-Temperature Thermal Stability of Max Phases in Vacuum 171 I. M. Low, W. K. Pang, S. J. Kennedy, and R. I. Smith Detection of Amorphous Silica in Oxidized Maxthal Ti3SiC2 at 500-1000°C 181 W. K. Pang, I. M. Low, J. V. Hanna, and J. P. Palmquist Author Index 191