Precursor nanoparticles that form spontaneously on hydrolysis of tetraethylorthosilicate in
aqueous solutions of tetrapropylammonium (TPA) hydroxide evolve to TPA-silicalite-1, a …

The control of zeolite morphology is of interest because it will permit the rational design of
products that have a wide array of applications, from catalysis to thin films for electronic devices…

A multiscale simulation model was developed to simulate shape evolution during copper
electrodeposition in the presence of additives. The model dynamically coupled a kinetic Monte …

A mechanistic mathematical model is presented that describes the evolution of precursor
nanoparticles (PN) to crystals. The model treats PN as pseudospecies evolving through an …

Monte Carlo simulations are typically characterized by a large number of unknown parameters,
many of which are difficult to obtain experimentally. Parameter sensitivity analysis can be …

A mathematical model is developed to describe aggregative crystal growth, including
oriented aggregation, from evolving pre-existing primary nanoparticles with composition and …

Copper electrodeposition in submicron trenches involves phenomena that span many
orders of magnitude in time and length scales. In the present work, two codes that simulate …

Kinetic Monte Carlo simulations are used to investigate nucleation and early stages of growth
during metal electrodeposition at low overpotentials, where the kinetics of attachment of …

Numerical analysis procedures are used to identify the most sensitive parameters and estimate
their values based on experimental measurements and a hypothesized mechanism for …

A (2+ 1) D kinetic Monte Carlo (KMC) code was developed for coarse-grained as well as
atomic-scale simulations that require detailed consideration of complex surface-reaction …