Research

Some of the topics my collaborators and I have been working on.

Mesoscale Modeling of Hydrogen Embrittlement in Iron-Hydrogen Alloys

Hydrogen embrittlement (HE) significantly reduces the ductility and strength of metals such as iron (Fe) and steel alloys, with grain boundaries (GB) acting as sinks for hydrogen atoms (H), making them susceptible to the initiation and propagation of voids. Although experimental studies have improved our understanding of HE, the relationship between solutes in GBs and HE remains unclear, and a unified theory bridging atomic-scale mechanisms and mesoscale microstructure is still lacking. In the current study, we simulate the segregation of H in Fe GBs by using a recently developed phase field crystal (PFC) model extended for two components to describe the Fe-H alloy. We examine the evolution of the microstructure over diffusive time scales, guided by the phase diagram of the proposed model. Our numerical results demonstrate that H weakens the microstructure by reducing the GB separation energy and may lead to voiding when it accumulates along GB. [TMS2025 Poster]

Multicomponent of Interstitial Lattices with PFC

Single crystal coexistence with liquid simulated with a two-component interstitial PFC model in 2D. B atoms (solute) site at interstitial sites of a triangular crystal lattice of A atoms (host). [more]

PFC models for vapour-liquid-solid coexistence and transitions

A new phase field crystal (PFC) type theory is presented, which accounts for the full spectrum of solid-liquid-vapor phase transitions within the framework of a single density order parameter. [more]

Nonuniform forcing and stripe orientation in Swift-Hohenberg dynamics

Gradients of the bifurcation parameter can induce stripe orientation in the Swift-Hohenberg dynamics. However, they face competition from boundary, bulk and geometric effects, and pattern alignment becomes an intricate question. [more]

Ramped Rayleigh-Bénard systems in circular geometries

Several numerical works consider regular geometries when studying temperature gradients across a Rayleigh-Bénard convection cell. A numerical approach based on a finite-difference scheme is proposed for studying such system in a circular geometry maintaining second-order accuracy at the boundary conditions. [more]

Pattern formation in the Bénard-Marangoni convection

Bénard-Marangoni convection exhibits square, hexagonal, and other peculiar patterns that can be modeled by the Knobloch equation. This fourth-order nonlinear evolution equation is derived via the multiple scales formalism and reproduces the main features of the phenomena observed in experimental setups. [more]