Related papers: Phase-field crystal study of grain-boundary premel…
We investigate analytically and numerically the interaction between grain boundaries and second phase precipitates in two-phase coherent solids in the presence of misfit strain. Our numerical study uses amplitude equations that describe the…
The dynamical mechanisms underlying the grain evolution and growth are of fundamental importance in controlling the structural properties of large-scale polycrystalline materials, but the effects of lattice ordering and distinct atomic…
Grain growth in polycrystals is often simulated using orientation-field models, which employ a field to represent the local orientation of the crystal lattice. These models can be challenging to represent a realistic misorientation…
The formation and migration of disconnections (line defects constrained to the grain boundary (GB) plane with both dislocation and step character) control many of the kinetic and dynamical properties of GBs and the polycrystalline materials…
Grain boundary structural transitions can lead to significant changes in the properties and performance of materials. In multi-principal element alloys, understanding these transitions becomes complex due to phenomena such as local chemical…
We investigate the diffusion of a grain boundary in a crystalline material. We consider in particular the case of a regularly spaced low-angle grain boundary schematized as an array of dislocations that interact with each other through…
Grain boundaries (GBs) trigger structure-specific chemical segregation of solute atoms. According to the three-dimensional (3D) topology of grains, GBs - although defined as planar defects - cannot be free of curvature. This implies…
We employ molecular-dynamics (MD) simulations to study grain boundary (GB) premelting in ices confined in two-dimensional hydrophobic nano-channels. Premelting transition is observed in a symmetric tilt GB in monolayer ices an involves the…
This paper studies how solute segregation and its relationship to grain boundary energy in binary alloys is captured in the phase field crystal (PFC) formalism, a continuum method that incorporates atomic scale elasto-plastic effects on…
We analyze a two-dimensional phase field model designed to describe the dynamics of crystalline grains. The phenomenological free energy is a functional of two order parameters. The first one reflects the orientational order while the…
Revealing statistics of H-defect interactions provides insights into significant ductility loss due to the particular strain partitioning in H-charged structural alloys. Experimental investigation of these interactions is extremely…
We provide a complete description of the low temperature wetting transition for the two dimensional Solid-On-Solid model. More precisely we study the integer-valued field $(\phi(x))_{x\in \mathbb Z^2}$, associated associated to the energy…
Understanding the wetting properties of premelting films requires knowledge of the film's equation of state, which is not usually available. Here we calculate the disjoining pressure curve of premelting films, and perform a detailed…
The problem of melting a crystal dendrite is modelled as a quasi-steady Stefan problem. By employing the Baiocchi transform, asymptotic results are derived in the limit that the crystal melts completely, extending previous results that hold…
We present the results of first-principles calculations of selected structural and thermodynamic properties of a set of grain boundaries (GBs) in zirconium, spanning a range of misorientation angles and boundary planes. We performed…
We discuss the role of dislocation assemblies such as grain boundaries in the dynamic response of a driven vortex lattice. We simulate the depinning of a field-cooled vortex polycrystal and observe a general enhancement of the critical…
Traditional models of interfacial phonon scattering, including the acoustic mismatch model (AMM) and diffuse mismatch model (DMM), take into account the bulk properties of the material surrounding the interface, but not the atomic structure…
We describe an optical scattering study of grain boundary premelting in water ice. Ubiquitous long ranged attractive polarization forces act to suppress grain boundary melting whereas repulsive forces originating in screened Coulomb…
Structural transformations at interfaces are of profound fundamental interest as complex examples of phase transitions in low-dimensional systems. Despite decades of extensive research, no compelling evidence exists for structural…
Laser surface remelting can be used to manipulate the microstructure of cast material. Here, we present a detailed analysis of the microstructure of Fe$_2$VAl following laser surface remelting. Within the melt pool, elongated grains grow…