Scaling of alloy interfacial properties under compositional strain

Abstract

Complex morphologies and microstructures that emerge during materials growth and solidification are often determined by both equilibrium and kinetic properties of the interface and their crystalline anisotropies. However limited knowledge is available for the alloying and particularly the compositionally generated elastic effects on these interface characteristics. Here we systematically investigate such compositional effects on the interfacial properties of an alloy model system based on the phase-field-crystal analysis, including the solid-liquid interfacial free energy, kinetic coefficient, and lattice pinning strength. Scaling relations for these interfacial quantities over various ranges of material parameters are identified and predicted. Our results indicate the important effects of couplings among mesoscopic and microscopic length scales of alloy structure and concentration, and also the influence of compressive and tensile interface stresses induced by composition variations. The approach developed here provides an efficient way to systematically identify these key material properties beyond the traditional atomistic and continuum methods.

13 pages, 14 figures; Phys. Rev. E, in press

References in corpus (6)

• Phase-field-crystal models for condensed matter dynamics on atomic length and diffusive time scales: an overview
• Phase-field crystal modeling of equilibrium bcc-liquid interfaces
• Colloquium: Cluster growth on surfaces - densities, size distributions and morphologies
• Molecular Dynamics Computer Simulation of Crystal Growth and Melting in Al50Ni50
• Renormalization group theory for the phase field crystal equation
• Ginzburg-Landau theory of the bcc-liquid interface kinetic coefficient

Cited by in corpus (6)

• Grain Boundary Structures and Collective Dynamics of Inversion Domains in Binary Two-Dimensional Materials
• Controlling the energy of defects and interfaces in the amplitude expansion of the phase-field crystal model
• Mesoscale Defect Motion in Binary Systems: Effects of Compositional Strain and Cottrell Atmospheres
• Angle-adjustable density field formulation for modeling crystalline microstructures
• Self-consistent modeling of anisotropic interfaces and missing orientations: Derivation from phase-field crystal
• Defect dynamics in active smectics induced by confining geometry and topology