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This review examines multiscale modelling approaches for cellulose nanocrystals (CNCs) and lignocellulosic plant cell walls, with a focus on hemicellulose and lignin interactions in aqueous environments. The three-dimensional reference…

This study investigates the radial densification of spruce wood using explicit Finite Element Method simulations, focusing on the effects of various densification protocols. These protocols include quasi-static compression, oscillatory…

In tissue engineering, 3D scaffolds and chemical treatments are often used for providing a cell-friendly surface for improving cell adhesion and tissue growth. Indeed, the cell adhesion degree can be controlled by physical-chemical changes…

A key issue for the fabrication of scaffolds for tissue engineering is the development of processing techniques flexible enough to produce materials with a wide spectrum of solubility (bioresorption rates) and mechanical properties matching…

Mantles of iced water, mixed with CO, H2CO, and CH3OH are formed during the so called prestellar core phase. In addition, radicals are also thought to be formed on the grain surfaces, and to react to form complex organic molecules later on,…

In agricultural landscapes, the composition and spatial configuration of cultivated and semi-natural elements strongly impact species dynamics, their interactions and habitat connectivity. To allow for landscape structural analysis and…

The stochastic simulation algorithm commonly known as Gillespie's algorithm is now used ubiquitously in the modelling of biological processes in which stochastic effects play an important role. In well-mixed scenarios at the sub-cellular…

The macroscopic behavior of polycrystalline materials is influenced by the local variation of properties caused by the presence of impurities and defects. The effect of these impurities at the atomic scale can either embrittle or strengthen…

While processing at elevated temperatures, starchy food products undergo gelatinization, which leads to softening related changes in textural characteristics. Study of role of gelatinization in texture development is limited; specifically,…

We introduce computational methods that allow for effective estimation of a flexible, parametric non-stationary spatial model when the field size is too large to compute the multivariate normal likelihood directly. In this method, the field…

Stochastic models of surface growth are usually based on randomly choosing a substrate site to perform iterative steps, as in the etching model [1]. In this paper I modify the etching model to perform sequential, instead of random,…

The wear-driven structural evolution of nanocrystalline Cu was simulated with molecular dynamics under constant normal loads, followed by a quantitative analysis. While the microstructure far away from the sliding contact remains unchanged,…

Chemo-mechanical effects are known to be significant in a number of applications in modern geomechanics, ranging from slope stability assessment to soil improvement and CO2 sequestration. This work focuses on coupled chemo-mechanical…

Changes in the dynamics of supported polymer films in comparison to bulk materials involve a complex convolution of effects, such as substrate interactions, roughness and compliance, in addition to film thickness. We consider molecular…

A thresholded Gaussian random field model is developed for the microstructure of porous materials. Defining the random field as a solution to stochastic partial differential equation allows for flexible modelling of non-stationarities in…

Understanding grain-surface processes is crucial to interpreting the chemistry of the ISM. However, accurate surface chemistry models are computationally expensive and are difficult to integrate with gas-phase simulations. A new…

A simple micromechanical model of polycrystalline materials is proposed, which enables us to swiftly produce grain-boundary-stress distributions induced by the uniform external loading (in the elastic strain regime). Such statistical…

In established theories of grain coarsening, grains disappear either by shrinking or by rotating as a rigid object to coalesce with an adjacent grain. Here we report a third mechanism for grain coarsening, in which a grain splits apart into…

The mechanical properties of single fibres are highly important in the paper production process to produce and adjust properties for the favoured fields of application. The description of mechanical properties is usually characterised via…

Engineered timber is pivotal to low-carbon construction, but moisture uptake during its service life can compromise structural reliability and impede reuse within a circular economy model. Despite growing interest, quantitative standards…