Related papers: Three-dimensional non-isothermal phase-field model…
The reliability of any day-to-day material is critically dictated by its properties. One factor which governs the behaviour of a material, under a given condition, is the microstructure. Despite the absence of any phase transformation, a…
The kinetics of dislocations is studied with computer simulation at loadings of different intensity. It is established that the dislocations have a few different structural states. The dislocations "with the micropore" play important role…
We investigate methods of microstructure representation for the purpose of predicting processing condition from microstructure image data. A binary alloy (uranium-molybdenum) that is currently under development as a nuclear fuel was studied…
The three-dimensional (3D) microstructures of polycrystalline materials exert a critical influence on their mechanical and physical properties. Realistic, controllable construction of these microstructures is a key step toward elucidating…
Microstructure evolution, which plays a critical role in determining materials properties, is commonly simulated by the high-fidelity but computationally expensive phase-field method. To address this, we approximate microstructure evolution…
Antimony trisulfide ($Sb_{2}S_{3}$), as an emerging material for integrated photonic devices, has attracted significant attention due to its high index, low loss, and phase-changing property in the optical regime. However, conventional…
The absorptivity of a material is a major uncertainty in numerical simulations of laser welding and additive manufacturing, and its value is often calibrated through trial-and-error exercises. This adversely affects the capability of…
Understanding the relationship between the evolution of microstructures of irradiated LiAlO2 pellets and tritium diffusion, retention and release could improve predictions of tritium-producing burnable absorber rod performance. Given…
We study the kinetics of crystallization in deeply supercooled liquid silicon employing computer simulations and the Stillinger-Weber three body potential. The free energy barriers to crystallisation are computed using umbrella sampling…
The ability to resolve and quantify features at submicrometer scales from a single-shot image is crucial for real-time uncovering intricate structures in unlabeled biological samples and analyzing them at the subcellular level. We introduce…
Directional solidification of water-based solutions has emerged as a versatile technique for templating hierarchical porous materials. However, the underlying mechanisms of pattern formation remain incompletely understood. In this work, we…
A highly favoured mechanism of planetesimal formation is collisional growth. Single dust grains, which follow gas flows in the protoplanetary disc, hit each other, stick due to van der Waals forces and form fluffy aggregates up to…
We present a novel machine learning based surrogate modeling method for predicting spatially resolved 3D microstructure evolution of polycrystalline materials under uniaxial tensile loading. Our approach is orders of magnitude faster than…
The processing of energetic photons on bare silicate grains was simulated experimentally on silicate films submitted to soft X-rays of energies up to 1.25 keV. The silicate material was prepared by means of a microwave assisted solgel…
The accurate prediction of solid-solid structural phase transitions at finite temperature is a challenging task, since the dynamics is so slow that direct simulations of the phase transitions by first-principles (FP) methods are typically…
The phase-field method has become a useful tool for the simulation of classical metallurgical phase transformations as well as other phenomena related to materials science. The thermodynamic consistency that forms the basis of these…
Irradiation of solids with ultrashort pulses using laser sources in the mid-infrared (mid-IR) spectral region is a yet predominantly unexplored field that opens broad possibilities for efficient and precise surface texturing for a wide…
In order to address the growth of crystals in veins, a multiphase-field model is used to capture the dynamics of crystals precipitating from a super-saturated solution. To gain a detailed understanding of the polycrystal growth phenomena in…
We present the first non-LTE, co-moving frame molecular line calculations of a star-forming cluster simulated using smoothed particle hydrodynamics (SPH), from which we derive high-resolution synthetic observations. We have resampled a…
We present a computational study of the void-induced microstructure in amorphous silicon ($\it a$-Si) by generating ultra-large models of $\it a$-Si with a void-volume fraction of 0.3$\%$, as observed in small-angle x-ray scattering (SAXS)…