Related papers: Droplet Free Energy Functional for the Morphology …
We derive a coarse grained, free-energy functional which describes droplet configurations arising on nucleation of a product crystal within a parent. This involves a new `slow' vacancy mode that lives at the parent-product interface. A…
We describe the microstructure, shape and dynamics of growth of a droplet of martensite nucleating in a parent austenite during a solid-solid transformation, using a Landau theory written in terms of conventional affine, elastic…
Diffusionless phase transitions are at the core of the multifunctionality of (magnetic) shape memory alloys, ferroelectrics and multiferroics. Giant strain effects under external fields are obtained in low symmetric modulated martensitic…
Applying a numerical transfer-matrix formalism, we obtain complex-valued constrained free energies for the two-dimensional square-lattice nearest-neighbor Ising ferromagnet below its critical temperature and in an external magnetic field.…
Needle-like twins are observed experimentally within the transition layer at the martensite-twinned martensite interface. We utilize a phase-field approach to investigate this microstructure. Our goal is to simulate the morphology of the…
The phase field crystal (PFC) method has emerged as a promising technique for modeling materials with atomistic resolution on mesoscopic time scales. The approach is numerically much more efficient than classical density functional theory…
In this paper we consider a simplified two-dimensional scalar model for the formation of mesoscopic domain patterns in martensitic shape-memory alloys at the interface between a region occupied by the parent (austenite) phase and a region…
The martensitic {\alpha} --> {\omega} transition was investigated in Ti under hydrostatic pressure. The calculations were carried out using the density functional theory (DFT) framework in combination with the Birch-Murnaghan equation of…
We report a detailed numerical investigation of a recently introduced two dimensional model for square-to-rectangle martensitic transformation that explains several unusual features of the martensitic transformation. This model includes…
A diffuse-interface model for microstructure with an arbitrary number of components and phases was developed from basic thermodynamic and kinetic principles and formalized within a variational framework. The model includes a composition…
Based on original investigations into the stages of nucleation and growth of martensite, a consideration has been given to dynamic models of formation of martensite plates with a fine structure of transformation twins, which are compatible…
In materials that undergo martensitic phase transformation, macroscopic loading often leads to the creation and/or rearrangement of elastic domains. This paper considers an example {involving} a single-crystal slab made from two martensite…
We study microstructure formation in two nonconvex singularly-perturbed variational problems from materials science, one modeling austenite-martensite interfaces in shape-memory alloys, the other one slip structures in the plastic…
We propose an explanation for the self-organization towards criticality observed in martensites during the cyclic process known as `training'. The scale-free behavior originates from the interplay between the reversible phase transformation…
Using classical molecular dynamics simulations, we study austenite to ferrite phase transformation in iron, focusing on the role of interface morphology. We compare two different morphologies; a \textit{flat} interface in which the two…
In the setting of continuum elasticity, phase transformations involving martensitic variants are modeled by a free energy density function that is non-convex in strain space. Here, we adopt an existing mathematical model in which we…
Martensites are long-lived nonequilibrium structures produced following a quench across a solid state structural transition. In a recent paper (Phys. Rev. Lett. 78, 2168 (1997)), we had described a mode-coupling theory for the morphology…
The stationary functional of the all-electron density functional plus dynamical mean field theory (DFT+DMFT) formalism to perform free energy calculations and structural relaxations is implemented for the first time. Here, the first order…
A free-energy functional that contains both the symmetry conserved and symmetry broken parts of the direct pair correlation function has been used to investigate the freezing of a system of hard spheres into crystalline and amorphous…
We consider a recently introduced 2-D square-to-rectangle martensite model that explains several unusual features of martensites to study ferromagnetic martensites. The strain order parameter is coupled to the magnetic order parameter…