Efficient and quantitative phase field simulations of polycrystalline solidification using a vector order parameter

no code implementations • 22 Feb 2021 • Tatu Pinomaa, Nana Ofori-Opoku, Anssi Laukkanen, Nikolas Provatas

A vector order parameter phase field model derived from a grand potential functional is presented as a new approach for modeling polycrystalline solidification of alloys.

Materials Science

A Thermodynamics Model for Mechanochemical Synthesis of Gold Nanoparticles: Implications for Solvent-free Nanoparticle Production

no code implementations • 25 Nov 2020 • Lin Yang, Audrey Moores, Tomislav Friščić, Nikolas Provatas

Mechanochemistry is becoming an established method for the sustainable, solid-phase synthesis of scores of nano-materials and molecules, ranging from active pharmaceutical ingredients to materials for cleantech.

Chemical Physics