Related papers: Amorphous intergranular films as toughening struct…
The growth of amorphous TiO2 and anisotropic-polycrystalline ZnO thin-films is studied by means of coarse-grained three-dimensional kinetic Montecarlo simulations under conditions typically encountered in Plasma Enhanced Chemical Vapor…
A micromorphic computational homogenization framework has recently been developed to deal with materials showing long-range correlated interactions, i.e. displaying patterning modes. Typical examples of such materials are elastomeric…
We study thin films with residual strain by analyzing the $\Gamma-$limit of non-Euclidean elastic energy functionals as the material's thickness tends to $0.$ We begin by extending prior results \cite{bhattacharya2016plates}…
Nanostructured films obtained by the assembling of preformed atomic clusters are of strategic importance for a wide variety of applications. The deposition of clusters produced in the gas phase onto a substrate offers the possibility to…
Experimental results on amorphous ZrAlCu thin film growth and the dynamics of the surface morphology as predicted from a minimal nonlinear stochastic deposition equation are analysed and compared. Key points of this study are (i) an…
Interfacial friction plays a crucial role in the mechanical properties of carbon nanotube based fibers, composites, and devices. Here we use molecular dynamics simulation to investigate the pressure effect on the friction within carbon…
Understanding non-equilibrium phenomena, such as growth, and connecting them to equilibrium phase behavior is a major challenge, in particular for complex multicomponent materials. We use X-ray reflectivity to determine the surface…
We investigated coercive fields of 200nm x 1200nm x 5nm rectangular nanocrystalline thin films as a function of grain size D using finite elements simulations. To this end, we created granular finite element models with grain sizes ranging…
We develop a strain gradient plasticity formulation for composite materials with spatially varying volume fractions to characterize size effects in functionally graded materials (FGMs). The model is grounded on the mechanism-based strain…
Amorphous graphene or amorphous monolayer carbon (AMC) is a family of carbon films that exhibit a surprising sensitivity of electronic conductance to morphology. We combine deep learning-enhanced simulation techniques with percolation…
Specimen- and grain-size effects on nanoscale plastic deformation mechanisms and mechanical properties of polycrystalline yttria-stabilized tetragonal zirconia (YSTZ) nanopillars are studied by molecular dynamics simulations. Through…
Amorphous solids form an enormous and underutilized class of materials. In order to drive the discovery of new useful amorphous materials further we need to achieve a closer convergence between computational and experimental methods. In…
A thin film at a liquid interface responds to uniaxial confinement by wrinkling and then by folding; its shape and energy have been computed exactly before self contact. Here, we address the mechanics of large folds, i.e. folds that absorb…
We design, fabricate and test heterogeneous architected polycrystals, composed of hard plastomers and soft elastomers, which thus show outstanding mechanical resilience and energy dissipation simultaneously. Grain boundaries that separate…
Wrinkles commonly develop in a thin film deposited on a soft elastomer substrate when the film is subject to compression. Motivated by recent experiments [Agrawal et al., Soft Matter 8, 7138 (2012)] that show how wrinkle morphology can be…
The thermodynamic theory of dislocation/grain boundary interaction, including dislocation pile-up against, absorption by, and transfer through the grain boundary, is developed for nonuniform plastic deformations in polycrystals. The case…
A systematic experimental and theoretical study about substrate induced molecular conformation in rubrene thin films by varying film thickness from sub-monolayer to multilayer, which currently attracts substantial attention with regard to…
Graphene can at present be grown at large quantities only by the chemical vapor deposition method, which produces polycrystalline samples. Here, we describe a method for constructing realistic polycrystalline graphene samples for atomistic…
Recent experiments and simulations have demonstrated that particle-covered interfaces can exist in stable non-spherical shapes as a result of the steric jamming of the interfacially trapped particles, which confers the interface with…
The crystal growth of isotactic polystyrene (it-PS) is investigated in very thin, 11 nm thick films. The it-PS crystals grown in the thin films show quite different morphology from that in the bulk. With decreasing crystallization…