相关论文: Microstructure evolution and heterogeneous nucleat…
The unique three-phase coexistence of metastable B2-FeNi with stable L10-FeNi and L12-FeNi3 is discovered near edge dislocations in body-centered cubic Fe-Ni alloys using atomistic simulations. Stable nanoscale precipitate arrays, formed…
Solidification control is crucial in manufacturing technologies, as it determines the microstructure and, consequently, the performance of the final product. Investigating the mechanisms occurring during the early stages of nucleation…
The phase diagram of Al-Li-Cu system in the Al-rich region was determined by means of first-principles calculations and statistical mechanics. The mixing enthalpies of many configurations for different lattices in the whole Al-Li-Cu system…
An analytical model for the evolution of the boundary of the new phase in transformations ruled by nucleation and growth is presented. Both homogeneous and heterogeneous nucleation have been considered: The former includes transformations…
Crystallization of supersaturated liquids usually starts by heterogeneous nucleation. Mounting evidence shows that even homogeneous nucleation in simple liquids takes place in two steps; first a dense amorphous precursor forms, and the…
Ni coarsening in Ni-yttria stabilized zirconia (YSZ) solid oxide fuel cell anodes is considered a major reason for anode degradation. We present a predictive, quantative modeling framework based on the phase-field approach to systematically…
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…
This study addresses microstructure selection mechanisms in rapid solidification, specifically targeting the transition from cellular/dendritic to planar interface morphologies under conditions relevant to additive manufacturing. We use a…
The quantitative phase-field approach has been adapted to model solidification in the presence of Metal Matrix Nanocomposites (MMNCs) in a single-component liquid. Nanoparticles of fixed size and shape are represented by additional fields.…
Segregation engineering has emerged as a promising pathway towards designing thermally stable nanocrystalline alloys with enhanced mechanical properties. However, the compositional and processing space for solute stabilized microstructures…
This work extends the Cahn--Larch\'e thermodynamic framework to binary alloys in which two coherent solid phases coexist with an incoherent liquid and investigates how coherency strain energy modifies classical eutectic and peritectic…
Focused ion beam (FIB)-scanning electron microscopy (SEM) allowed the characterization of the microstructure of two solid oxide fuel cells prepared at different sintering temperatures. 3D volume reconstruction showed that a relatively low…
Instability of a binary eutectic solidification front to morphological perturbations due to rejection of a ternary impurity leads to the formation of eutectic colonies. Whereas, the instability dynamics and the resultant mi- crostructural…
The crystallization of complex, concentrated alloys can result in atomic-level short-range order, composition gradients, and phase separation. These features govern the properties of the resulting alloy. While nucleation and growth in…
Numerical simulations are used in this work to investigate aspects of microstructure and microsegregation during rapid solidification of a Ni-based superalloy in a laser powder bed fusion additive manufacturing process. Thermal modeling by…
We consider the problem of heterogeneous nucleation and growth. The system is described by a phase field model in which the temperature is included through thermal noise. We show that this phase field approach is suitable to describe…
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…
A systematic search for multicomponent crystal structures is carried out for five different ternary systems of nuclei in a polarizable background of electrons, representative of accreted neutron star crusts and some white dwarfs. Candidate…
The growth and microstructural properties of ternary monolayers of two-dimensional hexagonal materials are examined, including both individual two-dimensional crystalline grains and in-plane heterostructures, multijunctions, or…
Using quasi-simultaneous synchrotron X-ray diffraction and tomography techniques, we have studied in-situ and in real-time the nucleation and co-growth dynamics of the peritectic structures in an Al-Mn alloy during solidification. We…