Atomistic computer simulations are applied to investigate the atomic structure, thermal stability, and diffusion processes in Al–Si interphase boundaries as a prototype of metal–ceramic interfaces composite materials. Some most stable orientation relationships between phases found this work were previously observed epitaxy experiments. A non-equilibrium interface can transform more state by mec...

The present study investigates buckling characteristics of both nonlinear symmetric power and sigmoid functionally graded (FG) beams. The volume fractions of metal and ceramic are assumed to be distributed through a beam thickness by the sigmoid-law distribution (S-FGM), and the symmetric power function (SP-FGM). These functions have smooth variation of properties across the boundary rather tha...

The recent results of the application of diffraction techniques to study the atomic structure of grain boundaries are reviewed. The outcome of the first determination of a grain boundary structure using diffraction information alone is examined. The influence of a particular metal on the grain boundary structure is examined. The variation of grain boundary structural width with parameters such ...

Toxic metalliferous mine-tailings pose a significant health risk to ecosystems and neighboring communities from wind and water dispersion of particulates containing high concentrations of toxic metal(loid)s (e.g., Pb, As, Zn). Tailings are particularly vulnerable to erosion before vegetative cover can be reestablished, i.e., decades or longer in semi-arid environments without intervention. Meta...

We theoretically investigate the strong coupling between a single molecule and a single metallic nanoparticle. A theory suited for the quantum-mechanical description of surface plasmon polaritons SPPs is developed. The coupling between these SPPs and a single molecule, and the modified molecular dynamics in the presence of the nanoparticle are described within a combined Drude and boundary-elem...

We argue that many phenomena associated with metal/non-metal interfaces and similar situations with a large dielectric constant mismatch can be understood in terms of the image interactions due to charges in the nonmetal. The effects are additional to the traditional interactions, and are especially significant when no reactions between the phases occur. The image-charge concept allows us to ra...

A novel separation mode of isotachophoresis (ITP) was advanced for the study on the continuous moving chelation boundary (MCB) formed with EDTA and two metal ions of Co(II) and Cu(II). The experiments were performed systemically. The relevant results indicated that: (1) there were three boundaries in the whole system, viz., a sharp MCB, a wide moving substitution boundary (MSB) and a sharp comp...

In this paper, a multiscale modelling strategy is used to study the effect of grain-boundary sliding on stress localization in a polycrystalline microstructure with an uneven distribution of grain size. The development of the molecular dynamics (MD) analysis used to interrogate idealized grain microstructures with various types of grain boundaries and the multiscale modelling strategies for mod...