90 citations · 284 across the 7 of their papers we have counts for
12 papers
Molecular Dynamics Simulation of Ga Penetration along Sigma 5 Symmetric Tilt Grain Boundaries in an Al Bicrystal
Ho-Seok Nam, David J. Srolovitz
Liquid metal embrittlement (LME) is a common feature of systems in which a low melting point liquid metal is in contact with another, higher melting point, polycrystalline metal. W…
Molecular Dynamics Simulation of Ga Penetration along Grain Boundaries in Al: a Dislocation Climb Mechanism
Ho-Seok Nam, D. J. Srolovitz
Many systems where a liquid metal is in contact with a polycrystalline solid exhibit deep liquid grooves where the grain boundary meets the solid-liquid interface. For example, liq…
Size Effects in Ferroelectric Thin Films: The Role of 180 degree domains
Rajeev Ahluwalia, David J. Srolovitz
The depolarization fields set up to due to uncompensated surface charges in a ferroelectric thin film can suppress the ferroelectric phase below a critical size. Recent experiments…
Grain-boundary grooving and agglomeration of alloy thin films with a slow-diffusing species
Mathieu Bouville, Dongzhi Chi, David J. Srolovitz
We present a general phase-field model for grain-boundary grooving and agglomeration of polycrystalline alloy thin films. In particular, we study the effects of slow-diffusing spec…
First-principles study of wurtzite InN and surfaces
Chee Kwan Gan, David J. Srolovitz
Density-functional calculations are used to study various plausible structures of the wurtzite InN and surfaces. These structures include the unreconstruct…
First-principles calculation of the thermodynamics of InGaN alloys: Effect of lattice vibrations
Chee Kwan Gan, Yuan Ping Feng, David J. Srolovitz
The thermodynamics properties of the wurtzite and zinc-blende \InGaN alloys are calculated using first-principles density-functional calculations. Special quasi-random structures a…