Related papers: Phase-Field Study of Polycrystalline Growth and Te…
We study the evolution of solidification microstructures using a phase-field model computed on an adaptive, finite element grid. We discuss the details of our algorithm and show that it greatly reduces the computational cost of solving the…
Structural transformations at interfaces are of profound fundamental interest as complex examples of phase transitions in low-dimensional systems. Despite decades of extensive research, no compelling evidence exists for structural…
The approach of nonequilibrium evolution thermodynamics earlier offered is developed. It helps to describe the processes of defect formation within the adiabatic approximation. The basic equations system depends on the initial defects…
We introduce a new phase-field formulation of rapid alloy solidification that quantitatively incorporates nonequilibrium effects at the solid-liquid interface over a very wide range of interface velocities. Simulations identify a new…
The properties of polycrystalline materials are often dominated by the size of their grains and by the atomic structure of their grain boundaries. These effects should be especially pronounced in 2D materials, where even a line defect can…
In this study, an alloy phase-field model is used to simulate solidification microstructures at different locations within a solidified molten pool. The temperature gradient $G$ and the solidification velocity $V$ are obtained from a…
We present a quantitative benchmark of multiscale models for dendritic growth simulations. We focus on approaches based on phase-field, dendritic needle network, and grain envelope dynamics. As a first step, we focus on isothermal growth of…
Residual stress and plastic strain in additive manufactured materials can exhibit significant microscopic variation at the powder scale, profoundly influencing the overall properties of printed components. This variation depends on…
Bioresorbable Mg-based alloys with low density, low elastic modulus, and excellent biocompatibility are outstanding candidates for temporary orthopedic implants. Coincidentally, metal additive manufacturing (AM) is disrupting the biomedical…
The role of particle shape in evaporation-induced auto-stratification in dispersed colloidal suspensions is explored with molecular dynamics simulations of mixtures of solid spheres, aspherical particles, and hollow spheres. A unified…
We simulate dendritic growth in directional solidification in dilute binary alloys using a phase-field model solved with an adaptive-mesh refinement. The spacing of primary branches is examined for a range of thermal gradients and alloy…
Twinning is an important deformation mode in plastically deformed hexagonal close-packed materials. The extremely high twin growth rates at the nanoscale make atomistic simulations an attractive method for investigating the role of…
The internal energy associated with the defect microstructure of strongly deformed crystals provides an important driving force for grain boundary motion during recrystallization. Typical dislocation microstructures are strongly…
A numerical model able to simulate solid-state constrained sintering is presented. The model couples an existing kinetic Monte Carlo (kMC) model for free sintering with a finite element model (FEM) for calculating stresses on a…
The high-pressure compaction of three dimensional granular packings is simulated using a bonded particle model (BPM) to capture linear elastic deformation. In the model, grains are represented by a collection of point particles connected by…
Microstructure evolution in metal additive manufacturing (AM) is a complex multi-physics and multi-scale problem. Understanding the impact of AM process conditions on the microstructure evolution and the resulting mechanical properties of…
Context: In protoplanetary discs, micron-sized dust grows to form millimetre- to centimetre-sized pebbles but encounters several barriers during its evolution. Collisional fragmentation and radial drift impede further dust growth to…
Tensile twinning is a main deformation mode in hexagonal close packed structure metals, so it is important to comprehensively understand twinning mechanisms which are not fully disclosed using 2D or small volume 3D characterization…
Laser powder bed fusion (LPBF) is an additive manufacturing (AM) technology. To achieve high product quality, the powder is best spread as a uniform, dense layer. The challenge for LPBF manufacturers is to develop a spreading process that…
Granular materials are known to separate by size under a variety of circumstances. Experiments presented here and elucidated by modeling and MD simulation document a new segregation mechanism, namely segregation by friction. The experiments…