1.1k citations · 1.7k across the 10 of their papers we have counts for
10 papers
Origin of the reaction temperature in solid-state materials synthesis
Shibo Tan, Gabrielle E. Kamm, Alex Stangel +12
Temperature plays a crucial role in solid-state materials synthesis, but there is currently no mechanistic theory to explain or predict which temperature is best to conduct a solid…
Simulation of coarsening in two-phase systems with dissimilar mobilities
W. Beck Andrews, Peter W. Voorhees, Katsuyo Thornton
In this work, we apply phase field simulations to examine the coarsening behavior of morphologically complex two-phase microstructures in which the phases have highly dissimilar mo…
Simulating complex crystal structures using the phase-field crystal model
Eli Alster, David Montiel, Katsuyo Thornton +1
We introduce a phase-field crystal model that creates an array of complex three- and two-dimensional crystal structures via a numerically tractable three-point correlation function…
Thermodynamic Relationships for Bulk Crystalline and Liquid Phases in the Phase-Field Crystal Model
Victor W. L. Chan, Nirand Pisutha-Arnond, Katsuyo Thornton
We present thermodynamic relationships between the free energy of the phase-field crystal (PFC) model and thermodynamic state variables for bulk phases under hydrostatic pressure.…
Particle-Level Modeling of the Charge-Discharge Behavior of Nanoparticulate Phase-Separating Li-Ion Battery Electrodes
Bernardo Orvananos, Todd R. Ferguson, Hui-Chia Yu +2
In nanoparticulate phase-separating electrodes, phase separation inside the particles can be hindered during their charge/discharge cycles even when a thermodynamic driving force f…
Ni coarsening in the three-phase solid oxide fuel cell anode - a phase-field simulation study
Hsun-Yi Chen, Hui-Chia Yu, J. Scott Cronin +3
Ni coarsening in Ni-yttria stabilized zirconia (YSZ) solid oxide fuel cell anodes is considered a major reason for anode degradation. We present a predictive, quantative modeling f…