. // Stress-driven Thermodynamic Equilibrium Predictions

Topic description

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In the proposed PhD Position, we will develop a numerical technique that integrates PTs obtained using atomistic simulations into a continuum mechanics framework that accounts for the material microstructure. In essence, we will use the full field mesoscopic tools available at CEMEF to compute the thermomechanical state variables (pressure, temperature, and deviatoric stress) that drive the PT.



Atomistic simulations are a valuable tool for predicting PTs and for different thermo-mechanical conditions. These simulations enable the calculation of the Gibbs free energy, which can th...