Chemistry and Physics of Materials Committee

Technical Programming

2018 TMS Annual Meeting & Exhibition: Computational Materials Science and Engineering for Nuclear Energy: Organized by Haixuan Xu; Michael Tonks; Blas Uberuaga; James Morris

This symposium will highlight current computational materials science and engineering efforts for nuclear reactors in the United States and abroad. High neutron flux, thermal and chemical gradients, and corrosive environments cause significant degradation in the chemical and mechanical properties of materials. Enhanced radiation resistance of structural materials and nuclear fuels are needed to overcome technological challenges necessary for future nuclear systems. This symposium seeks abstracts that apply�atomistic and mesoscale simulations to discover, understand, and engineer the macroscale performance of fission/fusion reactor materials, including fuel, cladding, and structural materials. This symposium will also consider multiscale modeling efforts that bridge length and time scales in order to better connect simulation results with experimental data for predictive model validation. It will also highlight validation of all relevant models, as well as uncertainty quantification. Finally, the application of ICME approaches to use modeling and simulation to better understand structure-property relationships, their associated links with performance, and their application to designing future reactor concepts and materials is also desired. Some examples include: • Modeling and simulation of materials behavior under extreme environments – radiation, corrosion, stress and temperature, including radiation effects, phase stability, fuel-clad interactions, fission product behavior. • Modeling and simulation of model materials to uncover fundamental behavior�that affects material performance in radiative environments. • Developing improved material models for LWR fuel and cladding. • Modeling and simulation of new fuel materials including metal, silicide, and nitride fuels. • Modeling and simulation of new cladding materials, such as silicon carbide, coated zirconium alloys, or FeCrAl. • Development and integration of computational tools, methods, and databases for reactor structural material design. Uncertainty quantification and validation of all the applications listed above.

2018 TMS Annual Meeting & Exhibition: Computational Thermodynamics and Kinetics: Organized by Elif Ertekin; Shawn Coleman; Brent Fultz; Richard Hennig; Suveen Mathaudhu

The ability to compute thermodynamic and kinetic properties and their effect on material response is rapidly transforming the field of materials science and engineering. Since 2001, this ongoing TMS symposium has highlighted advances in the tools and applications of computational thermodynamics and kinetics, from the atomic to macroscale, and including applications to materials design, synthesis, processing, and service. This year, we continue to welcome submissions relating to novel developments and applications of computational thermodynamics and kinetics methods, as well as the use of established computational thermodynamics and kinetics methods, to explore new phenomenon and materials. This symposium will cover topics that provide new insights into the properties of materials, expand our understanding of materials design, processing, and optimization, or guide the discovery of fundamentally new materials. Topics of choice for this year include: - Computational modeling exploring the thermodynamics and kinetics of heterogenous chemical reactions at surfaces and interfaces, with a focus on electrochemistry and catalysis. - Computational techniques to model extended timescales to understand the kinetics of microstructure evolution and secondary phase transitions. - Developments in computational techniques for the thermodynamics and kinetics of diffusion, defect properties, and phase transformations in materials - Thermodynamic and kinetic modeling approaches for materials discovery and design

2018 TMS Annual Meeting & Exhibition: Thermo-mechanical Response of Materials with Special Emphasis on In-situ Techniques: Organized by Amit Pandey; Sanjit Bhowmick; Jeffrey Wheeler; Mar�a Teresa P�rez Prado; Dongchan Jang; Robert Wheeler; Josh Kacher

The focus of this symposium is to discuss current research and key developments in techniques and experimental methods to measure thermo-mechanical properties of materials in-situ and ex-situ in application-orientated environments. These environments may include, but are not limited to high temperature, cryogenic temperature, electrical and magnetic field, gas, radiation, chemical, pressure extremes, and humidity. In situ mechanical testing using SEM, TEM, AFM, Raman, synchrotron, X-ray, IR, and FTIR observation techniques during testing are becoming increasingly popular for studying mechanical behavior of materials. Many such techniques have been developed to probe material response to stimuli across nano- to macro-length scales. The intent of the symposium is to provide a forum for researchers from national laboratories, academia, and industry to discuss research progress in the area of in operando and/or in-situ mechanical testing for nanomechanical studies, and to accelerate the development and acceptance of innovative materials and testing techniques. Topics include: 1. Development of instruments and experimental methodology for in-situ techniques and/or testing at non-ambient conditions. 2. Mechanics of deformation of high-temperature materials, high-strength materials, thin films, 1D, 2D, and other low-dimension nanostructures, and interfaces. 3. Imaging and analytical techniques to correlate microstructure, defects, crystal orientation, and strain field with mechanical properties. 4. Microstructural observations using in situ techniques across length scales.