Accelerating the design of compositionally complex materials via physics-informed artificial intelligence.

The chemical space for designing materials is practically infinite. This makes disruptive progress by traditional physics-based modeling alone challenging. Yet, training data for identifying composition-structure-property relations by artificial intelligence are sparse.

Enhancing corrosion-resistant alloy design through natural language processing and deep learning.

We propose strategies that couple natural language processing with deep learning to enhance machine capability for corrosion-resistant alloy design. First, accuracy of machine learning models for materials datasets is often limited by their inability to incorporate textual data. Manual extraction of numerical parameters from descriptions of alloy processing or experimental methodology inevitably leads to a reduction in information density.

Phase-Field Modeling of Chemoelastic Binodal/Spinodal Relations and Solute Segregation to Defects in Binary Alloys.

Microscopic phase-field chemomechanics (MPFCM) is employed in the current work to model solute segregation, dislocation-solute interaction, spinodal decomposition, and precipitate formation, at straight dislocations and configurations of these in a model binary solid alloy. In particular, (i) a single static edge dipole, (ii) arrays of static dipoles forming low-angle tilt (edge) and twist (screw) grain boundaries, as well as at (iii) a moving (gliding) edge dipole, are considered. In the first part of the work, MPFCM is formulated for such an alloy.

Effect of Twin Boundary Motion and Dislocation-Twin Interaction on Mechanical Behavior in Fcc Metals.

The interplay of interface and bulk dislocation nucleation and glide in determining the motion of twin boundaries, slip-twin interaction, and the mechanical (i.e., stress-strain) behavior of fcc metals is investigated in the current work with the help of molecular dynamics simulations.

Unveiling the Re effect in Ni-based single crystal superalloys.

Single crystal Ni-based superalloys have long been an essential material for gas turbines in aero engines and power plants due to their outstanding high temperature creep, fatigue and oxidation resistance. A turning point was the addition of only 3 wt.% Re in the second generation of single crystal Ni-based superalloys which almost doubled the creep lifetime.

Nonlinear membrane model for large amplitude vibration of single layer graphene sheets.

The nonlinear vibrational properties of single layer graphene sheets (SLGSs) are investigated using a membrane model. The nonlinear equation of motion is considered for the SLGSs by including the effects of stretching due to large amplitudes. The equation of motion is numerically solved utilizing the finite difference method for SLGSs with different initial and boundary conditions, sizes and pretensions.