Related papers: Phase Transformation Kinetics Model for Metals
The accurate prediction of solid-solid structural phase transitions at finite temperature is a challenging task, since the dynamics is so slow that direct simulations of the phase transitions by first-principles (FP) methods are typically…
We propose and develop a model as an attempt to describe the local mechanism of mechanical alloying. This model is based on the observation of global parameters, such as the volumes of the various phases present in the material, and their…
We simulate high-pressure hydrogen in its liquid phase close to molecular dissociation using a machine-learned interatomic potential. The model is trained with density functional theory (DFT) forces and energies, with the…
This work presents the numerical simulation of the melting process of a particle injected in a plasma jet. The plasma process is nowadays applied to produce thin coatings on metal mechanical components with the aim of improving the surface…
Martensitic transformation in steels is responsible for their very high strength and has thus been studied for more than one century since the first works of Martens. However, there is not yet simple physical theory. A rigorous…
In this paper, a macroscopic three dimensional non-isothermal model is proposed to describe hysteresis phenomena and phase transformations in shape memory alloys (SMAs). The model is of phase-field type and is based on the Ginzburg-Landau…
Crystal plasticity theory is often employed to predict the mesoscopic states of polycrystalline metals, and is well-known to be costly to simulate. Using a neural network with convolutional layers encoding correlations in time and space, we…
We report the results of a low-temperature (300K-15K) high-pressure (up to 22GPa) Raman study of the Verwey transition in magnetite (Fe3O4). We use additional Raman modes observed below the Verwey transition to determine how the transition…
The coexistence of different ferroelectric phases enables the tunability of the macroscopic properties and extensive applications from piezoelectric transducers to nonvolatile memories. Here we develop a thermodynamic model to predict the…
The coexistence pressure of two phases is a well-defined point at fixed temperature. In experiment, however, due to non-hydrostatic stresses and a stress-dependent potential energy barrier, different measurements yield different ranges of…
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…
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…
By using frustration-preserving hard-spin mean-field theory, we investigated the phase transition dynamics in the three-dimensional field-free $\pm J$ Ising spin glass model. As the temperature $T$ is decreased from paramagnetic phase at…
The partially overlapped ferroelastic/martensitic and para-ferromagnetic phase transitions of a Ni$_{50.53}$Mn${33.65}$In$_{15.82}$ metamagnetic shape memory alloy have been studied from calorimetric, magnetic and acoustic emission…
Phase-Field Crystal (PFC) models are able to resolve atomic length scale features of materials during temporal evolution over diffusive time scales. Traditional PFC models contain solid and liquid phases, however many important materials…
We investigate the magnetic quantum phase-transitions in bulk correlated metals at the level of dynamical mean-field theory. To this end, we focus on the Hubbard model on a simple cubic lattice as a function of temperature and electronic…
Iron represents the principal constituent of the Earth's core, but its high-pressure melting diagram remains ambiguous. Here we present a simple analytical approach to predict the melting properties of iron under deep-Earth conditions. In…
The properties of materials near structural phase transitions are often successfully described in the framework of Landau theory. While the focus is usually on phase transitions, which are induced by temperature changes approaching a…
Plasma flow and acceleration in a magnetic mirror configuration are studied using a drift-kinetic particles-in-cell model in the paraxial approximation, with an emphasis on finite temperature effects and energy transport. Energy conversion…
The two-phase composite approach of Estrin et al. (1998) describes an evolving dislocation cell structure. Mckenzie et al. (2007) enhanced the model to capture the effects of hydrostatic pressure and temperature during severe plastic…