Related papers: Atomistic simulation of martensite microstructural…
This paper reviews the status of molecular dynamics as a method in describing solid-solid phase transitions, and its relationship to continuum approaches. Simulation work done in NiTi and Zr using first principles and semi-empirical…
We propose a new direct mechanism for the pressure driven alpha to omega martensitic transformation in pure titanium. A systematic algorithm enumerates all possible mechanisms whose energy barriers are evaluated. A new, homogeneous…
Large-scale 3D martensitic microstructure evolution problems are studied using a finite-element discretization of a finite-strain phase-field model. The model admits an arbitrary crystallography of transformation and arbitrary elastic…
We have used an effective model of ferroelectric PbTiO$_{3}$, which displays a representative soft mode-driven phase transition, to investigate how different features of the potential-energy surface affect the transition temperature $T_{\rm…
We consider a recently introduced 2-D square-to-rectangle martensite model that explains several unusual features of martensites to study ferromagnetic martensites. The strain order parameter is coupled to the magnetic order parameter…
We extend the solid-state nudged elastic band method to handle a non-conserved order parameter - in particular, magnetization, that couples to volume and leads to many observed effects in magnetic systems. We apply this formalism to the…
Understanding the mechanism of martensitic transformation is of great importance in developing advanced high strength steels, especially TRansformation-Induced Plasticity (TRIP) steels. The TRIP effect leads to enhanced work-hardening rate,…
Information about the crystal structures in the range of morphotropic phase boundary of ferroelectric perovskite solid solutions is important for understanding their intricate properties which result in wide opportunities for practical…
Martensite damage in Dual-Phase (DP) steel has been studied extensively, yet, the exact deformation mechanisms that trigger or inhibit damage initiation remain mostly unexplored. Whereas generally assumed to be hard and brittle, lath…
A quasi-spin Ising model of ferroelastic phase transition is developed and employed to perform atomic-scale Monte Carlo simulation of thermoelastic martensitic transformation. The quasi-spin variable associated with the lattice sites…
The corrosion property of Nickel-titanium (NiTi) shape memory alloy is investigated during forward martensitic transformation between 40C and 0C. The Differential Scanning Calorimetry technique is used to find the forward and reverse…
Effect of the temperature and magnetic field induced martensitic transformation (MT) on the electronic structure and some physical properties of bulk Fe$_{45.2}$Mn$_{25.9}$Ga$_{28.9}$ Heusler alloy has been investigated. {According to the…
The dynamical model of forming of martensitic crystals for the bcc-hcp transition is offered. It is shown that all macroscopic morphological characters (the habit plane, the macroshear and the orientational relationship) are expressed…
In recent yerars, Bismuth sodium titanate (BNT) and BNT-based piezoelectric materials have proved potential for lead-free piezoelectric technologies. Such materials' complicated phase structure is crucial to their thermo-electromechanical…
Cofactor Conditions (CCs) are geometric compatibility conditions mathematically derived from the crystallographic theory of martensitic phase transformation. The CCs guarantee compatible interfaces between the austenite and the parallelled…
We report direct observation of the evolution of local temperature inhomogeneity and the resulting atomic migration in a metal film (Ag on Si) stressed by a current by using a Scanning Thermal Microscope that allows simultaneous temperature…
The mechanical behaviour of many materials, including polymers or natural materials, significantly depends on the rate of deformation. As a consequence, a rate-dependent ductile-to-brittle fracture transition may be observed. For…
Modeling ferroelectric materials from first principles is one of the successes of density-functional theory, and the driver of much development effort, requiring an accurate description of the electronic processes and the thermodynamic…
The dynamical nucleation of martensite in polycrystals is simulated by means of Lagrange-Rayleigh dynamics with Landau energetics, which is capable of obtaining the local stress as a result of the interplay of the potential of…
A recent report [S. Deville et al., J. Am. Ceram. Soc., 86(12), 2225 (2003)] has shown the new possibilities offered by atomic force microscopy (AFM) to investigate martensitic transformation induced relief in zirconia. In this paper, we…