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A stochastic 3D microstructure model for polycrystals is introduced which incorporates two types of twin grains, namely neighboring and inclusion twins. They mimic the presence of crystal twins in $\gamma$-TiAl polycrystalline…
We examine the phase transition of polymer adsorption as well as the underlying kinetics of polymer binding from dilute solutions on a structureless solid surface. The emphasis is put on the properties of regular multiblock copolymers,…
As we passed the 20th anniversary of the publication of the 12 principles of green chemistry, the sustainable modification of cellulose, being the most abundant biobased polymer, is certainly worth considering. Many researchers work on an…
Fabrication process variations are a major source of yield degradation in the nano-scale design of integrated circuits (IC), microelectromechanical systems (MEMS) and photonic circuits. Stochastic spectral methods are a promising technique…
Stochastic microstructure reconstruction involves digital generation of microstructures that match key statistics and characteristics of a (set of) target microstructure(s). This process enables computational analyses on ensembles of…
The growth of multicomponent structures in simulations and experiments often results in kinetically trapped, nonequilibrium objects. In such cases we have no general theoretical framework for predicting the outcome of the growth process.…
Many engineering applications of Shape Memory Alloys (SMAs) involve passing back and forth through phase transformation many times. Repeated phase transformation develops permanent deformations originating from the significant distortion…
The performance of land surface models (LSMs) significantly affects the understanding of atmospheric and related processes. Many of the LSMs' soil and vegetation parameters were unknown so that it is crucially important to efficiently…
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…
The microscopic structure of a plant cell wall is given by cellulose microfibrils embedded in a cell wall matrix. In this paper we consider a microscopic model for interactions between viscoelastic deformations of a plant cell wall and…
A polycrystalline solid is modelled as an ensemble of random irregular polyhedra filling the entire space occupied by the solid body, leaving no voids or flaws between them. Adjacent grains can slide with a relative velocity proportional to…
Aims: The production of molecular hydrogen and its deuterated forms onto carbonaceous dust grains is investigated in detail. The goal of this study is to estimate the importance of the chemistry occuring on grain surfaces for the…
In this paper, we investigate the dynamics of surface growth resulting from sedimentation of spherical granular particles in a fluid environment, using experiments and simulations. In the experimental part, spherical polystyrene particles…
The viscoelastic response of backsheet materials significantly affects the durability of the photovoltaic (PV) module. In this study, the viscoelastic response of commercially available backsheet materials is experimentally characterized…
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…
Heterostructured (HS) materials exhibit excellent mechanical properties, combining high strength and significant ductility. Hetero-deformation-induced (HDI) hardening and strain de-localization are key to their strength-ductility synergy.…
Highly accurate biomolecular structure prediction is a key component of developing biomolecular foundation models, and one of the most critical aspects of building foundation models is identifying the recipes for scaling the model. In this…
Compressive mechanical stress exceeding a critical value leads to the formation of periodic surface buckling patterns in film-substrate systems. A comprehensive understanding of this buckling phenomenon is desired in applications where the…
3D Computer simulations and experiments are employed to study random packings of compressible spherical grains under external confining stress. Of particular interest is the rigid ball limit, which we describe as a continuous transition in…
We develop a stochastic-dynamic framework to infer latent grain size distribution from magnetic hysteresis data in M-type hexaferrite materials, offering an alternative to imaging-based characterization. A stochastic nucleation-growth…