相关论文: Towards the ab initio based theory of the phase tr…
The diversity of mesostructures formed in steel at cooling from a high-temperature austenite ("gamma") phase is determined by the interplay of shear reconstructions of crystal lattice and diffusion of carbon. Combining first-principles…
Exploiting Landau's theory of phase transformations, defining an original order parameter and using the phenomenological transformation temperatures, it is reported that it is possible to describe in a global approach the conditions for the…
Materials which can undergo extremely fast displacive transformations as well as very slow diffusive transformations are studied using a Ginzburg-Landau framework to understand the physics behind microstructure formation and…
Energetics of the fcc ($\gamma$) - bcc ($\alpha$) lattice transformation by the Bain tetragonal deformation is calculated for both magnetically ordered and paramagnetic (disordered local moment) states of iron. The first-principle…
Kinetics of polymorphous "gamma"-"alfa" transformation in Fe is studied numerically within a model taking into account both lattice and magnetic degrees of freedom, based on first-principle calculations of the total energy for different…
When a crystalline solid such as iron is cooled across a structural transition, its final microstructure depends sensitively on the cooling rate. For instance, an adiabatic cooling across the transition results in an equilibrium `ferrite',…
Several experimental techniques are used for phase identification and microstructure characterization of austempered vermicular cast irons (XRD, SEM, TEM and Mossbauer spectroscopy). Acicular structures were found to be composed by ferrite…
Materials which can undergo slow diffusive transformations as well as fast displacive transformations are studied using the phase-field method. The model captures the essential features of the time-temperature-transformation (TTT) diagrams,…
The kinetics of phase transformations at cooling of carbon steel in dependence on the temperature of preliminary annealing T$_{an}$ is studied. It is shown that the cooling from T$_{an}$ > A$_3$ (i. e. above the temperature of ferrite…
We use phase field simulations to study composites made of two different ferroelastics (e.g., two types of martensite). The deformation of one material due to a phase transformation can elastically affect the other constituent and induce it…
We compute the equilibrium crystal structure and phase stability of iron at the alpha(bcc)-gamma(fcc) phase transition as a function of temperature, by employing a combination of ab initio methods for calculating electronic band structures…
Often a number of precipitation processes in steels and alloys occur simultaneously (they have the same origin in time) albeit at different rates. Consequently, isothermic transformations are accompanied, in this case, by the occurrence of…
We study the mechanics of temperature-driven reconstructive martensitic transformations in crystalline materials, within the framework of nonlinear elasticity theory. We focus on the prototypical case of the square-hexagonal transition in…
A three-dimensional phase-field model is proposed for simulating the magnetic martensitic phase transformation. The model considers a paramagnetic cubic austenite to ferromagnetic tetragonal martensite transition, as it occurs in magnetic…
Titanium and its alloys undergo temperature-driven martensitic phase transformation leading to the development of complex microstructures at mesoscale. Optimizing the mechanical properties of these materials requires an understanding of the…
Review of selected fundamental topics on the interaction between phase transformations, fracture, and other structural changes in inelastic materials is presented. It mostly focuses on the concepts developed in the author's group over last…
The elasto-plastic material behavior, material strength and failure modes of metals fabricated by additive manufacturing technologies are significantly determined by the underlying process-specific microstructure evolution. In this work a…
The magnetic and structural properties of MnAs are studied with ab initio methods, and by mapping total energies onto a Heisenberg model. The stability of the different phases is found to depend mainly on the volume and on the amount of…
Additive manufacturing of Ti-6Al-4V alloy via laser powder-bed fusion leads to non-equilibrium $\alpha'$ martensitic microstructures, with high strength but poor ductility and toughness. These properties may be modified by heat treatments,…
Experimental advances in condensed matter physics and material science have enabled ready access to atomic-resolution images, with resolution of modern tools often sufficient to extract minute details of symmetry-breaking distortions such…