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Stochastic geometry provides a powerful framework for modelling complex random structures, with applications in physics, materials science, biology, and other fields. The three-dimensional microstructure of polycrystalline materials is…
Mg alloys are promising lightweight structural materials due to their low density and excellent mechanical properties. However, their limited formability and ductility necessitate improvements in these properties, specifically through…
The present contribution deals with the thermomechanical modeling of the strain-induced crystallization in unfilled polymers. This phenomenon significantly influences mechanical and thermal properties of polymers and has to be taken into…
Functionally Graded Materials (FGMs) made of soft constituents have emerged as promising material-structure systems in potential applications across many engineering disciplines, such as soft robots, actuators, energy harvesting, and tissue…
We develop a coarse grained (CG) approach for efficiently simulating calcium dynamics in the endoplasmic reticulum membrane based on a fine stochastic lattice gas model. By grouping neighboring microscopic sites together into CG cells and…
In recent years there has been a growing interest in the study of shape formation using modern responsive materials that can be preprogrammed to undergo spatially inhomogeneous local deformations. In particular, nematic liquid crystalline…
The structure, and electrical, mechanical and optical properties of few-layer graphene (FLG) synthesized by chemical vapor deposition (CVD) on a Ni coated substrate were studied. Atomic resolution transmission electron microscope (TEM)…
Two finite element level-set (FE-LS) formulations are compared for the modeling of grain growth of 316L stainless steel in terms of grain size, mean values and histograms. Two kinds of microstructures are considered, some are generated…
Self-assembled nano and micro-structures, particularly those capable of responsive erasure and regeneration, have garnered significant interest for their applications in smart photonics and electronics. However, current techniques for…
The diffusion model has emerged as a powerful tool for generating atomic structures for materials science. This work calls attention to the deficiency of current particle-based diffusion models, which represent atoms as a point cloud, in…
A template-free process for the synthesis of nanocrystalline TiO2 hierarchical microstructures by reactive Pulsed Laser Deposition (PLD) is here presented. By a proper choice of deposition parameters a fine control over the morphology of…
Germanium is the base element in many phase-change materials, i.e. systems that can undergo reversible transformations between their crystalline and amorphous phases. They are widely used in current digital electronics and hold great…
The thermal conductivity of Functionally Graded Materials (FGMs) can be efficiently designed through topology optimization to obtain thermal meta-structures that actively steer the heat flow. Compared to conventional analytical design…
A combined theoretical/numerical/experimental program is outlined for extending the ILG approach to consider time lags, stochasticity and multiphysics couplings. Through this extension it is possible to discuss the interplay between…
Approach-to-equilibrium molecular dynamics simulations have been used to study thermal transport in nanocrystalline graphene sheets. Nanostructured graphene has been created using an iterative process for grain growth from initial seeds…
We present an original approach for predicting the static recrystallization texture development during annealing of deformed crystalline materials. The microstructure is considered as a population of subgrains and grains whose sizes and…
A hybrid Monte Carlo (HMC) approach is employed to quantify the influence of inelastic deformation on the microstructural evolution of polycrystalline materials. This approach couples a time explicit material point method (MPM) for…
Magnesium alloys are emerging as promising alternatives to traditional orthopedic implant materials thanks to their biodegradability, biocompatibility, and impressive mechanical characteristics. However, their rapid in-vivo degradation…
Sol gel obtained YZS (Yttria Stabilized Zirconia) nanocrystals have different morphologies when they grow on an $\alpha$-alumina substrate after thermal treatment. When the substrate has planar defects, the nanocrystals grow in height and…
We have combined the benefits of two catalytic growth phenomena to form nanostructures of transition metal trichalcogenides (TMTs), materials that are challenging to grow in a nanostructured form by conventional techniques, as required to…