Related papers: Computational modeling of microstructure
We investigate the geometry of polycrystals, showing that for polycrystals formed of convex grains the interior grains are polyhedral, while for polycrystals with general grain geometry the set of triple points is small. Then we investigate…
Plastic deformation of micron-scale crystalline solids exhibits stress-strain curves with significant sample-to-sample variations. It is a pertinent question if this variability is purely random or to some extent predictable. Here we show,…
An increasing variety of crystal structures has been observed in soft condensed matter over the past two decades, surpassing most expectations for the diversity of arrangements accessible through classical driving forces. Here, we survey…
In order to understand the physical hysteresis loops clearly, we constructed a novel model, which is combined with the electric field, the temperature, and the stress as one synthetically parameter. This model revealed the shape of…
Facetted growth of snow crystals leads to a rich diversity of forms, and exhibits a remarkable sixfold symmetry. Snow crystal structures result from diffusion limited crystal growth in the presence of anisotropic surface energy and…
Images of surface topography of ultrathin magnetic films have been used for Monte Carlo simulations in the framework of the ferromagnetic Ising model to study the hysteresis and thermal properties of nanomaterials. For high performance…
We discuss numerical and theoretical results for models of magnetization switching in nanoparticles and ultrathin films. The models and computational methods include kinetic Ising and classical Heisenberg models of highly anisotropic…
We present a model in which metastable supercooled phase and stable equilibrium phase of vortex matter coexist in different regions of a sample. Minor hysteresis loops are calculated with the simple assumption of the two phases of vortex…
The precise mechanisms underlying the failure of multi-phase materials may be strongly dependent on the material's microstructural morphology. Micromechanical modeling has provided much insight into this dependence, but uncertainties remain…
Solid state theory, density functional theory and its generalizations for correlated systems together with numerical simulations on supercomputers allow nowadays to model magnetic systems realistically and in detail and can be even used to…
Exotic behaviour of mechanical metamaterials often relies on an internal transformation of the underlying microstructure triggered by its local instabilities, rearrangements, and rotations. Depending on the presence and magnitude of such a…
Based on classical statistical thermodynamics, we develop a theoretical approach that provides new insight into how macroscopic and microscopic physical properties are bridged via crystal lattice for condensed mat- ters. We find that in…
This study explores the role that the microstructure plays in determining the macroscopic static response of porous elastic continua and exposes the occurrence of position-dependent nonlocal effects that are strictly correlated to the…
The hysteresis properties of ferromagnetic materials at low field are described by the Rayleigh law. We analyze the problem in light of modern statistical mechanics models of hysteresis. In particular, we compute the demagnetization curve…
Understanding the microstructural influence on the failure mechanisms in multi-phase materials calls for the identification of the worst-case scenario. This necessitates a statistical approach. By performing simulations directly based on…
An extensive numerical campaign of particle mechanics calculations that predict microstructure formation and evolution during die compaction, up to relative densities close to one, of monodisperse plastic spheres that exhibit power-law…
The Stoner-Wohlfarth is the most used model of magnetic hysteresis, but its computation is time-consuming. We use machine learning to approximate piecewise this model by easy-to-compute analytic functions. Our parametrization is suitable…
A model is studied for the theoretical description of nanoscale magnetic films with high perpendicular anisotropy. In the model the magnetic film is described in terms of single domain magnetic grains with Ising-like behavior, interacting…
Understanding the evolution of dislocation structures during plastic deformation is critical for predicting the mechanical performance of metallic materials. In this work, we applied in situ scanning electron microscopy/electron backscatter…
Predicting and characterizing the crystal structure of materials is a key problem in materials research and development. It is typically addressed with highly accurate quantum mechanical computations on a small set of candidate structures,…