Related papers: Phase Transformation Kinetics Model for Metals
An electro-chemo-mechanical phase-field formulation is developed to simulate pitting and stress corrosion in polycrystalline materials. The formulation incorporates dependencies of mechanical properties and corrosion potential on…
We present predictions and postdictions for a wide variety of hard jet-substructure observables using a multistage model within the JETSCAPE framework. The details of the multistage model and the various parameter choices are described in…
To understand how martensitic transformation (MT) in polycrystalline NiTi shape memory alloy (SMA) proceeds under external stress, we evaluated recoverable transformation strains and plastic strains generated by the forward MT in…
This work expands on our recently introduced low Mach enthalpy method [1] for simulating the melting and solidification of a phase change material (PCM) alongside (or without) an ambient gas phase. The method captures PCM's volume change…
This work presents a new adaptive approach for the numerical simulation of a phase-field model for fractures in nearly incompressible solids. In order to cope with locking effects, we use a recently proposed mixed form where we have a…
This paper investigates to identify phase transitions in condensed liquid cesium metal by considering the variation of intermolecular potential parameters \epsilon and r_m in the whole liquid range, with \epsilon being the potential…
Flow of dissipative particles driven by peristaltic motion of a tube is numerically studied. A transition from slow unjammed flow to fast jammed flow is found through the observation of the mass flux if the minimum width of the peristaltic…
We compute lattice dynamical properties of iron at the bcc-fcc phase transition using dynamical mean-field theory implemented with the frozen-phonon method. Electronic correlations are found to have a strong effect on the lattice stability…
Martensitic transformations drive a multitude of emerging applications, which range from high stroke actuation and, mechanocaloric refrigeration, to thermoelastic energy harvesting. All these applications benefit from faster…
The martensitic transformation is a fundamental physical phenomenon at the origin of important industrial applications. However, the underlying microscopic mechanism, which is of critical importance to explain the outstanding mechanical…
We study the global phase diagram of magnetic orders and lattice structure in the Fe-pnictide materials at zero temperature within one unified theory, tuned by both doping and pressure. On the low doping and high pressure side of the phase…
We investigate the pressure-temperature ($p$-$T$) phase diagram of elemental lithium (Li) up to multiterapascal (TPa) pressures using ab-initio random structure search (AIRSS) and density functional theory (DFT). At zero temperature, beyond…
This study explores the pressure evolution of the double perovskite Ba$_2$NiTeO$_6$ by employing experimental and computational techniques. For the study of structural and vibrational properties, synchrotron X-ray diffraction (XRD) and…
The motion of microstructural interfaces is important in modeling materials that undergo twinning and structural phase transformations. Continuum models fall into two classes: sharp-interface models, where interfaces are singular surfaces;…
We present an approach to generate machine-learned force fields (MLFF) with beyond density functional theory (DFT) accuracy. Our approach combines on-the-fly active learning and $\Delta$-machine learning in order to generate an MLFF for…
The thermodynamic model of visco-elastic deformable magnetic materials at finite strains is formulated in a fully Eulerian way in rates. The Landau theory applies for ferro-to-para-magnetic phase transition, the gradient theory (leading…
We present a new mechanistic, phase field-based formulation for predicting hydrogen embrittlement. The multi-physics model developed incorporates, for the first time, a Taylor-based dislocation model to resolve the mechanics of crack tip…
The metal--insulator phase transition is considered on the basis of Ginzburg-Landau type equations with two different order parameters. An inclusion of magnetic field in this picture is an important step for understanding of behavior of the…
In this journal, we study the phase-field model of solidification for numerical simulation of dendritic crystal growth that occurs during the casting of metals and alloys based on the kobayashi [1] model. Qualitative relationships between…
We propose a thermodynamically consistent general-purpose model describing diffusion of a solute or a fluid in a solid undergoing possible phase transformations and damage, beside possible visco-inelastic processes. Also heat…