Related papers: Atomistic simulation of martensite microstructural…
We develop a new model for phase transformation kinetics in metals by generalizing the Levitas-Preston (LP) phase field model of martensite phase transformations (see Levitas and Preston (2002a,b); Levitas, Preston and Lee (2003)) to…
Titanium-based shape memory alloys, such as Ti2448, have attracted enormous attention owing to their unique thermomechanical properties and potential biomedical applications. In this study, we develop a polycrystalline phase field to…
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…
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,…
We study through the time evolution of magnetization the low temperature (T) dynamics of the metastable coexisting phases created by traversing different paths in magnetic field (H) and T space in a shape memory alloy system,…
Strontium titanate (SrTiO3) is regarded as an essential material for oxide electronics. One of its many remarkable features is subtle structural phase transition, driven by antiferrodistortive lattice mode, from a high-temperature cubic…
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…
The structural phase transformation in the La2/3Ba1/3MnO3 perovskite manganite was studied by ultrasound, neutron diffraction and electron microscopy techniques. Minima of the velocity and maxima of the decrement of the ultrasound point out…
The incredible thermo-mechanical properties of biological materials arise from the microscopic scale due to a complex hierarchical mechanism, regulated by microinstabilities at the molecular level. The description of such complex structures…
In situ neutron diffraction of the uniaxial tension test was used to study the effect of the surrounding matrix microstructure on the mechanical stability of retained austenite in high-carbon bearing steels. Comparing the samples with…
Titanium alloys are widely used in aerospace, biomedical, and energy applications owing to their high specific strength, corrosion resistance, and biocompatibility. Among them, $\alpha$-titanium alloys with a hexagonal close-packed (hcp)…
Fifteen marble samples were subjected to semi-brittle deformation through triaxial compression experiments, reaching axial strains of 0.5%, 1.0%, 2.0%, 4.0%, or 7.5% at temperatures of 20C, 200C, or 350C, under a confining pressure of 400…
It is a long-time pursuit of computations with \emph{ab initio} precision of thermal contributions to phase behaviors of condensed matters under extreme conditions. In this work, the pressure induced structural phase transitions of…
Available simulation methods, suitable to describe solid-solid phase transitions occurring upon increasing of presssure and/or temperature, are based on empirical interatomic potentials: this restriction reduces the predictive power, and…
In this research, atomistic molecular dynamics simulations are combined with mesoscopic phase-field computational methods in order to investigate phase-transformation in polycrystalline Aluminum microstructure. In fact, microstructural…
Titanium is the base material for a number of technologically important alloys for energy conversion and structural applications. Atomic-scale studies of Ti-based metals employing first-principles methods, such as density functional theory,…
We use the phase-field method to study the martensitic transformation at the nanoscale. For nanosystems such as nanowires and nanograins embedded in a stiff matrix, the geometric constraints and boundary conditions have an impact on…
We have performaed molecular dynamics simulations of Fe(80)Ni(20) alloys using an inter-atomic potential of the EAM-type which allows the simulation of the martensite-austenite transition. We present results, showing the development of an…
Atomic scale simulations at finite temperature are an ideal approach to study the thermodynamic properties of magnetic transition metals. However, the development of interatomic potentials explicitly taking into account magnetic variables…
Systematic experiments on stress-induced phase transitions in thin SMA structures in literature have revealed two interesting instability phenomena: the coalescence of two martensite-austenite fronts leads to a sudden stress drop and that…