相关论文: Phase-Field Modelling of Transformation Pathways a…
Polycrystalline thin films can be unstable with respect to island formation (agglomeration) through grooving where grain boundaries intersect the free surface and/or thin film-substrate interface. We develop a phase-field model to study the…
The composition, crystal structure and precipitation crystallography of a newly found precipitate are characterized by a Cs-corrected scanning transmission electron microscopy (STEM). The composition of the plate-like precipitate could be…
The first study of the effect of the initial microstructure on its evolution under hydrostatic compression before, during, and after the irreversible $\alpha\rightarrow\omega$ phase transformation and during pressure release in Zr using in…
The recrystallized grain size and texture in alloys can be controlled via the microchemistry state during thermomechanical processing. The influence of concurrent precipitation on recovery and recrystallization is here analyzed by directly…
Transport and magnetic studies of PbTaSe$_2$ under pressure suggest existence of two superconducting phases with the low temperature phase boundary at $\sim 0.25$ GPa that is defined by a very sharp, first order, phase transition. The first…
A phase-field formulation is introduced to simulate quantitatively microstructural pattern formation in alloys. The thin-interface limit of this formulation yields a much less stringent restriction on the choice of interface thickness than…
The grain boundary (GB) microchemistry and precipitation behaviour in high-strength Al-Zn-Mg-Cu alloys has an important influence on their mechanical and electrochemical properties. Simulation of the GB segregation, precipitation, and…
Much attention has been devoted to understanding the microscopic pathways of phase transition between two equilibrium condensed phases (such as liquids and solids). However, the microscopic pathways between non-equilibrium, non-diffusive…
The elasto-plastic material behavior, material strength and failure modes of metals fabricated by additive manufacturing technologies are significantly determined by the underlying process-specific microstructure evolution. In this work a…
During the laser powder bed fusion (L-PBF) process, the built part undergoes multiple rapid heating-cooling cycles, leading to complex microstructures with nonuniform properties. In the present work, a computational framework, which weakly…
Predicting the evolving microstructure of hydrating cement is essential for understanding and modeling its mechanical property development. Physics-based continuum approaches offer a rigorous framework for capturing the thermodynamics of…
On-surface metal porphyrins can undergo electronic and conformational changes that play a crucial role in determining the chemical reactivity of the molecular layer. Therefore, understanding those properties is pivotal for the design and…
We report on experimental studies of the character of phase transitions in the quasi-1D organic compound (TMTSF)2PF6 in the close vicinity of the borders between the paramagnetic metal PM, antiferromagnetic insulator AF, and superconducting…
We present first-principles calculations of the structural phase behavior of the [1:1] \pzta\ superlattice and the \ptoa\ and \pzoa\ parent compounds as a function of in-plane epitaxial strain. A symmetry analysis is used to identify the…
SrAl2Si2 crystallizes into either a semimetallic, CaAl2Si2-type, \alpha phase or a superconducting, BaZn2P2-type, \beta phase. We explore possible \alpha --Pc;Tc--> \beta transformations by employing pressure- and temperature-dependent…
A phase field crystal model is used to investigate the mechanisms of formation and growth of early clusters in quenched/aged dilute binary alloys, a phenomenon typically outside the scope of molecular dynamics time scales. We show that…
What determines precipitate morphologies in co-precipitating alloy systems? We focus on alloys of two precipitating phases, with precipitates of the fast-precipitating phase acting as heterogeneous nucleation sites for a second phase…
Poly(ethylene oxide)-$\textit{b}$-poly(butylmethacrylate) (PEO-$\textit{b}$-PBMA) copolymers have recently been identified as excellent building blocks for the synthesis of hierarchical nanoporous materials. Nevertheless, while experiments…
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),…
Microstructural pattern formation, such as dendrite growth, occurs widely in materials and energy systems, significantly influencing material properties and functional performance. While the phase-field method has emerged as a powerful…