Toward a Quantitative Understanding of the Electric Field in Thermal Metal Oxidation and a Self-Consistent Wagner Theory.

The electric field in the growing oxide film is important to the kinetics and mechanism of metal oxidation. However, understanding of the essential characteristics of the electric field during oxidation remains insufficient. A special-case analytical model is presented that provides a unified understanding for the electric field from the viewpoints of kinetics and thermodynamics.

Iterative spectral method for solving electrostatic or magnetostatic problems in complex and evolving heterostructures.

Electrostatic or magnetostatic problems involving complex heterogeneity are nontrivial for modeling and simulation. Most existing numerical methods focus on sharp interface models and the computational cost increases with increasing complexity of the geometry. Here we develop an iterative spectral method, the bound charge successive approximation algorithm, to solve electrostatic or magnetostatic heterogeneity problems in the context of diffuse-interface modeling.

Shape-anisotropic particles at curved fluid interfaces and role of Laplace pressure: a computational study.

The self-assembly behavior of shape-anisotropic particles at curved fluid interfaces is computationally investigated by diffuse interface field approach (DIFA). A Gibbs-Duhem-type thermodynamic formalism is introduced to treat heterogeneous pressure within the phenomenological model, in agreement with Young-Laplace equation. Computer simulations are performed to study the effects of capillary forces (interfacial tension and Laplace pressure) on particle self-assembly at fluid interfaces in various two-dimensional cases.

Spontaneous formation of stable capillary bridges for firming compact colloidal microstructures in phase separating liquids: a computational study.

Computer modeling and simulations are performed to investigate capillary bridges spontaneously formed between closely packed colloidal particles in phase separating liquids. The simulations reveal a self-stabilization mechanism that operates through diffusive equilibrium of two-phase liquid morphologies. Such mechanism renders desired microstructural stability and uniformity to the capillary bridges that are spontaneously formed during liquid solution phase separation.