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In this work, we adopt a first-principles study to evaluate the potential of a boron phosphide (BP) monolayer as an anode material for alkali metal-based (e.g., Li, Na and K) batteries.

A cathode composed of RuO2 nanoparticle-decorated NiO nanosheets not only catalyzes the oxygen reduction and evolution reactions, but also promotes the decomposition of the side products (LiOH and Li2CO3), enabling a non-aqueous lithium–air battery to be truly operated in ambient air.

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Complex fluid flows are encountered widely in nature, in living beings and in engineering practice. These flows often involve both geometric and dynamic complexity and present problems that are difficult to analyse because of their wide range of length and time scales, as well as their geometric configuration. This book describes some newly developed computational techniques and modelling strategies for analysing and predicting complex transport phenomena. It summarizes advances in the context of a pressure-based algorithm. Among methods discussed are discretization schemes for treating convection and pressure, parallel computing, multigrid methods, and composite, multiblock techniques. With respect to physical modelling, the book addresses issues of turbulence closure and multiscale, multiphase transport from an engineering viewpoint. Both fundamental and practical issues are considered, along with the relative merits of competing approaches. The final chapter is devoted to practical applications that illustrate the advantages of various numerical and physical tools. Numerous examples are given throughout the text. Mechanical, aerospace, chemical and materials engineers can use the techniques presented in this book to tackle important, practical problems more effectively.

Lacking effective anchoring materials to suppress the severe shuttle effect is a longstanding issue hindering the development of lithium–sulfur (Li–S) batteries.

We develop a new methodology to assess the streamwise inclination angles (SIAs) of the wall-attached eddies populating the logarithmic region with a given wall-normal height. To remove the influences originating from other scales on the SIA estimated via two-point correlation, the footprints of the targeted eddies in the vicinity of the wall and the corresponding streamwise velocity fluctuations carried by them are isolated simultaneously, by coupling the spectral stochastic estimation with the attached-eddy hypothesis. Datasets produced with direct numerical simulations spanning $Re_{\tau } \sim O(10^2)\unicode{x2013}O(10^3)$ are dissected to study the Reynolds number effect. The present results show, for the first time, that the SIAs of attached eddies are Reynolds-number-dependent in low and medium Reynolds numbers, and tend to saturate at $45^{\circ }$ as the Reynolds number increases. The mean SIA reported by vast previous experimental studies are demonstrated to be the outcomes of the additive effect contributed by multi-scale attached eddies. These findings clarify the long-term debate and perfect the picture of the attached-eddy model.