3D Orientational Control in Self‐Assembled Thin Films with Sub‐5 nm Features by Light

While self‐assembled molecular building blocks could lead to many next‐generation functional organic nanomaterials, control over the thin‐film morphologies to yield monolithic sub‐5 nm patterns with 3D orientational control at macroscopic length scales remains a grand challenge. A series of photoresponsive hybrid oligo(dimethylsiloxane) liquid crystals that form periodic cylindrical nanostructures with periodicities between 3.8 and 5.1 nm is studied. The liquid crystals can be aligned in‐plane by exposure to actinic linearly polarized light and out‐of‐plane by exposure to actinic unpolarized light. The photoalignment is most efficient when performed just under the clearing point of the liquid crystal, at which the cylindrical nanostructures are reoriented within minutes. These results allow the generation of highly ordered sub‐5 nm patterns in thin films at macroscopic length scales, with control over the orientation in a noncontact fashion.     

Dominance of Plasmonic Resonant Energy Transfer over Direct Electron Transfer in Substantially Enhanced Water Oxidation Activity of BiVO4 by Shape‐Controlled Au Nanoparticles

The performance of plasmonic Au nanostructure/metal oxide heterointerface shows great promise in enhancing photoactivity, due to its ability to confine light to the small volume inside the semiconductor and modify the interfacial electronic band structure. While the shape control of Au nanoparticles (NPs) is crucial for moderate bandgap semiconductors, because plasmonic resonance by interband excitations overlaps above the absorption edge of semiconductors, its critical role in water splitting is still not fully understood. Here, first, the plasmonic effects of shape‐controlled Au NPs on bismuth vanadate (BiVO₄) are studied, and a largely enhanced photoactivity of BiVO₄ is reported by introducing the octahedral Au NPs. The octahedral Au NP/BiVO₄ achieves 2.4 mA cm^?2 at the 1.23 V versus reversible hydrogen electrode, which is the threefold enhancement compared to BiVO₄. It is the highest value among the previously reported plasmonic Au NPs/BiVO₄. Improved photoactivity is attributed to the localized surface plasmon resonance; direct electron transfer (DET), plasmonic resonant energy transfer (PRET). The PRET can be stressed over DET when considering the moderate bandgap semiconductor. Enhanced water oxidation induced by the shape‐controlled Au NPs is applicable to moderate semiconductors, and shows a systematic study to explore new efficient plasmonic solar water splitting cells.     

Fracture mechanics‐based progressive damage modelling of adhesively bonded fibre‐reinforced polymer joints

A quasi‐static progressive damage model for prediction of the fracture behaviour and strength of adhesively bonded fibre‐reinforced polymer joints is introduced in this paper. The model is based on the development of a mixed‐mode failure criterion as a function of a master R‐curve derived from the experimental results obtained from standard fracture mechanics joints. Consequently, the developed failure criterion is crack‐length and mode‐mixity dependent, and it takes into account the contribution of the fibre‐bridging effect. Energy release rate values for adhesively bonded double‐lap joints are obtained by using the virtual crack closure technique method in a finite element model, and the numerically obtained strain energy release rate is compared to the critical strain energy release rate given by the mixed‐mode failure criterion. The entire procedure is implemented in a numerical algorithm, which was successfully used for predicting the strength and R‐curve response of adhesively bonded double‐lap structural joints made of pultruded glass fibre‐reinforced polymers and epoxy adhesives.     

An investigation of T‐stresses in a plate with an inclined crack under biaxial loadings

For plates with an inclined crack of wide‐range aspect ratios under biaxial loadings, T‐stress values are calculated with three‐dimensional finite element method. The results show that the normalized T‐stress is crack length and orientation dependent. A linear equation for the relationship between normalized T‐stresses and biaxility factors is proposed to describe the normalized T‐stresses for different crack lengths and crack angles under different biaxial loadings, which is more convenient and involves wider biaxility ratios compared with the existing solutions. The plate thickness effect and the trend of normalized T‐stresses along the crack front thickness are also studied for mode I and I–II mixed‐mode cracks. Based on the analyses and comparisons, it is necessary to take the thickness effect into consideration when the crack length is long enough (a/W = 7/10). When the component of mode II is significant (β > 45°), and the biaxility ratios are negative, T‐stresses near the free surface are lower than those at other positions, which are the opposite of mode I crack and most of I–II mixed‐mode crack.     

Enhanced hydrothermal stability of ZSM-5 formed from nanocrystalline seeds for naphtha catalytic cracking

We successfully synthesized hydrothermally stable ZSM-5 with crystalline nano seeds. We employed a template-free method using ZSM-5 crystalline nano seeds and sodium silicate as a silica source. The prepared ZSM-5 exhibited uniform crystal size and relative crystallinity greater than 100 %. The size of the crystalline nano seed in the scale of 100 nm was found to be the optimum size for obtaining uniform, highly crystalline ZSM-5 with structural stability. After P-modification, the synthesized ZSM-5 with the optimally sized seed showed high hydrothermal stability and improved catalytic naphtha cracking activity compared to a commercial ZSM-5 catalyst. In order to find the elements for the increased hydrothermal stability, the samples were evaluated by studying crystallinity, aluminum spectrum, and acidity using XRD, solid-state NMR, and NH₃-TPD, respectively after steaming at 800 °C for 24 h. It is speculated that the increased hydrothermal stability of the ZSM-5 resulted mainly from the increased aluminum structural stability.     

The tetrahedral finite cell method: Higher‐order immersogeometric analysis on adaptive non‐boundary‐fitted meshes

The finite cell method (FCM) is an immersed domain finite element method that combines higher‐order non‐boundary‐fitted meshes, weak enforcement of Dirichlet boundary conditions, and adaptive quadrature based on recursive subdivision. Because of its ability to improve the geometric resolution of intersected elements, it can be characterized as an immersogeometric method. In this paper, we extend the FCM, so far only used with Cartesian hexahedral elements, to higher‐order non‐boundary‐fitted tetrahedral meshes, based on a reformulation of the octree‐based subdivision algorithm for tetrahedral elements. We show that the resulting TetFCM scheme is fully accurate in an immersogeometric sense, that is, the solution fields achieve optimal and exponential rates of convergence for h‐refinement and p‐refinement, if the immersed geometry is resolved with sufficient accuracy. TetFCM can leverage the natural ability of tetrahedral elements for local mesh refinement in three dimensions. Its suitability for problems with sharp gradients and highly localized features is illustrated by the immersogeometric phase‐field fracture analysis of a human femur bone. Copyright © 2016 John Wiley & Sons, Ltd.     

A monotone nonlinear finite volume method for approximating diffusion operators on general meshes

The basic principles of the discrete duality and nonlinear monotone finite volume methods are combined in order to obtain a new monotone nonlinear finite volume method for the approximation of diffusion operators on general meshes. Numerical results highlight both the second‐order accuracy of this method on general meshes and its capability to deal with challenging anisotropic diffusion problems on various computational domains. Copyright © 2016 John Wiley & Sons, Ltd.     

Vademecum‐based GFEM (V‐GFEM): optimal enrichment for transient problems

This paper proposes a generalized finite element method based on the use of parametric solutions as enrichment functions. These parametric solutions are precomputed off‐line and stored in memory in the form of a computational vademecum so that they can be used on‐line with negligible cost. This renders a more efficient computational method than traditional finite element methods at performing simulations of processes. One key issue of the proposed method is the efficient computation of the parametric enrichments. These are computed and efficiently stored in memory by employing proper generalized decompositions. Although the presented method can be broadly applied, it is particularly well suited in manufacturing processes involving localized physics that depend on many parameters, such as welding. After introducing the vademecum‐generalized finite element method formulation, we present some numerical examples related to the simulation of thermal models encountered in welding processes. Copyright © 2016 John Wiley & Sons, Ltd.