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
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
• 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.
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
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
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.
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
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.