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Meeting Materials Science & Technology 2016
Symposium Computational Design of Ceramics and Glasses
Organizer(s) Mathieu Bauchy, University of California, Los Angeles
Liping Huang, Rensselaer Polytechnic Institute
Peter Kroll, University of Texas at Arlington
Scope This symposium will provide a forum to identify current achievements and existing challenges in computational design of ceramic materials. Computational techniques ranging from first principles to continuum modeling to study ceramic materials of all compositions, either in crystalline or amorphous state, will be considered. Presentations that address which challenges the unique structure and bonding in ceramic materials pose in theoretical modeling are especially welcome.

Topics include, but are not limited to:
• First principles study of the structure and properties of ceramic materials
• Molecular dynamics study of the structure and properties of ceramic materials
• Monte Carlo study of the structure and properties of ceramic materials
• Mesoscale modeling of the structure and properties of ceramic materials
• Continuum modeling of ceramic materials
• Breakthroughs in computational methods for ceramic materials
Abstracts Due 03/31/2016
Proceedings Plan Undecided

A Metamodeling Approach for Parameter Sensitivity Analysis and Uncertainty Quantification in a Boron-carbide Interatomic Potential
Ab-initio Modeling, Thermochemistry, and GIPAW-NMR Calculations of HfO2-Na2O-SiO2 Glasses
C-S-H Across Length Scales: From Nano to Micron
Computational Design of Zirconium (Zr) Based Multiphase Ceramic Materials for Improved Strength and Toughness Properties
Computational Investigation of Interfaces in SiCO Ceramics
Computer Simulation of Swift Heavy Ion Irradiation Damage in Nuclear Fuel
Coupled Effects of Nuclear and Electronic Energy Loss in Ceramics Under Irradiation
Development of Potentials for Molecular Dynamics Simulations of Multi-component Glasses
Effect of A Element on Mechanical Properties of Ti3(SixAl1-x)C2
Effect of M Site Alloying on the Solid Solution Behaviour of (Ti,V,Zr,Hf)2AlC MAX Phases Using High Throughput Ab-initio Methods
Effects of Dislocation and Phase Transformation on Evolution of Nano-Cracks and Voids in Yttria-stabilized Zirconia Nanopillars
First Principle Study on Effect of Surface Adsorption and Non-stoichiometry on the Workfunction of ZnO Surfaces
First Principles (DFT) Calculation of Elastic Constants of Ti3B4
Irradiation-induced Damage in Minerals: Influence of the Atomic-topology
Magnetic Properties of Rare-earth Doped Alumina from First Principles
Micro-structural Stress Modeling of Brittle Materials for Enhanced Performance and Reliability
Modeling and Simulation of Amorphous Silicon Boron Nitride Ceramics
On the Calculation of (Ti,Cr)2AlC Phase Diagram: A First-principles Approach
Ripplocations: A Novel Defect in Layered Materials
The Crucial Effect of Early-stage Gelation on the Mechanical Properties of Cement Hydrates
The Thermodynamic Investigation of the Effect of CO2 to the Stability of (La0.8Sr0.2)0.98MnO3δ

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