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We consider the grain growth and stagnation in polycrystalline microstructures. From the phase field crystal modelling of the coarsening dynamics, we identify a transition from a grain-growth stagnation upon deep quenching below the melting…
Cloud droplets containing ice-nucleating particles (INPs) may freeze at temperatures above the homogeneous freezing threshold temperature. This process, referred to as immersion freezing, is one of the modulators of aerosol-cloud…
Ice-templating is a well-established processing route for porous ceramics. Because of the structure/properties relationships, it is essential to better understand and control the solidification microstructures. Ice-templating is based on…
The structure and evolution of grain boundaries underlies the nature of polycrystalline materials. Here we describe an experimental apparatus and light reflection technique for measuring disorder at grain boundaries in optically clear…
Predicting microstructure evolution during thermomechanical treatment is essential for determining the final mechanical properties of a material, yet conventional simulations based on Partial Differential Equations (PDEs) remain…
For large-scale atomistic simulations of magnetic materials, the interplay of atomic and magnetic degrees of freedom needs to be described with high computational efficiency. Here we present an analytic bond-order potential (BOP) for…
Around a glass transition, the dynamics of a supercooled liquid dramatically slow down, exhibited by caging of particles, while the structural changes remain subtle. In alternative to recent machine learning studies searching for structural…
The under-representation of cloud formation is a long-standing bias associated with climate simulations. Parameterisation schemes are required to capture cloud processes within current climate models but have known biases. We overcome these…
As a smaller grain, which is attached on larger one, is growing, it pushes also the larger one and other grains in its surrounding. In a simulation of similar system, repulsive force such as contact force based on linear spring-dashpot…
We study the changes in physical and chemical conditions during the collapse of a pre--protostellar core, starting from initial conditions appropriate to a dense molecular cloud and proceeding to the ``completely depleted'' limit. We follow…
We present a new gas-grain chemical model to constrain the effect of grain size distribution on molecular abundances in starless and pre-stellar cores. We introduce grain-size dependence simultaneously for cosmic-ray (CR)-induced desorption…
A continuum theory based on thermodynamics has been developed for modeling diffusional creep of polycrystalline solids. It consists of a coupled problem of vacancy diffusion and mechanics where the vacancy generation/absorption at grain…
A mechanism connecting ice algal ecodynamics with the buildup of organic macromolecules in brine channels is tested offline in a reduced model of pack geochemistry. Driver physical quantities are extracted from the global sea ice dynamics…
The first and maybe the most important step in designing a model-based predictive controller is to develop a model that is as accurate as possible and that is valid under a wide range of operating conditions. The sugar boiling process is a…
The selection of stacking order in a broad range of close-packed polymorphic materials remains a challenging enigma. Using in situ cryogenic transmission electron microscopy, we uncover the atomistic mechanisms governing the vapour…
A magnetohydrodynamic model of a steady, transverse C-type shock in a dense molecular cloud is presented. A complete gas-grain chemical network is taken into account: the gas-phase chemistry, the adsorption of gas species on dust grains,…
Nanocrystalline materials have been proposed for use in future fusion reactors due to their high grain boundary density that may act as a sink for irradiation-induced defects. We use molecular dynamics to model collision cascades in…
We investigate the chemical evolution of a collapsing core that starts from a hydrostatic core and finally form a low-mass protostar. New multiphase gas-grain models that include bulk diffusion and photon penetration are simulated by the…
Atomistic models like tight-binding (TB), bond-order potentials (BOP) and classical potentials describe the interatomic interaction in terms of mathematical functions with parameters that need to be adjusted for a particular material. The…
Many technologically useful materials are polycrystals composed of small monocrystalline grains that are separated by grain boundaries of crystallites with different lattice orientations. The energetics and connectivities of the grain…