Related papers: A multi-component phase-field model for T1 precipi…
We further develop a recently introduced phase-field model of rapid alloy solidification [Ji et al., PRL 2023]. This model utilizes enhanced solute diffusivity within the spatially diffuse interface region to quantitatively capture solute…
Understanding the role of solute diffusivities in equilibrium tie-line selection during growth of a second phase in ternary and higher multicomponent two phase alloys is an important problem due to the strong dependence of mechanical…
The present work investigates the atomic interactions among Cu, Al, and Ni elements in bcc-iron matrix, focusing on the formation mechanism of nano-sized core-shell Cu precipitates. Using a combination of atom probe tomography (APT),…
One usual way to strengthen a metal is to add alloying elements and to control the size and the density of the precipitates obtained. However, precipitation in multicomponent alloys can take complex pathways depending on the relative…
Complex morphologies and microstructures that emerge during materials growth and solidification are often determined by both equilibrium and kinetic properties of the interface and their crystalline anisotropies. However limited knowledge…
Understanding electrochemical phenomena at complex liquid solid interfaces requires linking real time structural dynamics with atomic scale interfacial chemistry. Here, we integrate operando synchrotron X-ray fluorescence and diffraction…
In this paper, we investigate three-phase eutectic growth during thin-film directional solidification of a model symmetric ternary eutectic alloy. In contrast to two-phase eutectics that have only a single possibility,…
Applied magnetic fields can alter phase equilibria and kinetics in steels; however, quantitatively resolving how magnetic, chemical, and elastic driving forces jointly influence the microstructure remains challenging. We develop a…
Density functional theory calculations have been performed to study the structures and energetics of coherent and semicoherent TiC/Fe interfaces. A systematic method for determining the interfacial energy for the semicoherent interface with…
The interaction between edge dislocations and Guinier-Preston zones in an Al-Cu alloy was analyzed by means of atomistic simulations. The different thermodynamic functions that determine the features of these obstacles for the dislocation…
The whole Al-Li phase diagram is predicted from first principles calculations and statistical mechanics including the effect of configurational and vibrational entropy. The formation enthalpy of different configurations at different…
We have studied the growth kinetics of isolated precipitates growing from a supersaturated matrix in 3-dimensions (3-D) using phase field models; we assume isotropic interfacial energy consider both constant and variable diffusivity. We…
Semicoherent precipitates govern strength, stability and transformation pathways in structural alloys, yet the kinetic defect process underlying their three-dimensional growth has remained unresolved. Here we show that lath growth is driven…
We consider the process of precipitation in binary alloys in the presence of mechanical deformation. It is commonly observed that mechanical deformation prior to or during precipitation leads to microstructure with excess defects, which…
Platelet array linear complexions have been predicted in Al-Cu, with notable features being dislocation faceting and climb into the precipitate, both of which should impact plasticity. In this study, we examine the strain rate dependence of…
In this paper, we have formulated a phase-field model based on the grand-potential functional for the simulation of precipitate growth in the presence of coherency stresses. In particular, we study the development of dendrite-like patterns…
We study the underpotential deposition of Cu on single-crystal Au(111) electrodes in sulfate-containing electrolytes by a combination of computational statistical-mechanics based lattice-gas modeling and experiments. The experimental…
Formation of large volume fractions of Mn-Ni-Si precipitates (MNSPs) causes excess irradiation embrittlement of reactor pressure vessel (RPV) steels at high, extended-life fluences. Thus, a new and unique, semi-empirical cluster dynamics…
We use extended Cahn-Hilliard (ECH) equations to study faceted precipitate morphologies; specifically, we obtain four sided precipitates (in 2-D) and dodecahedron (in 3-D) in a system with cubic anisotropy, and, six-sided precipitates (in…
Most of the commercially important alloys are multicomponent, producing multiphase microstructures as a result of processing. When the coexisting phases are elastically coherent, the elastic interactions between these phases play a major…