The diffusion of an interstitial Si atom along an edge dislocation in Al is studied by using a quantummechanics/molecular-mechanics coupling method. It is found that the diffusing Si atom follows approximately a sinusoidal trajectory. The diffusion energy barrier along the partial dislocation core is in excellent agreement with the experimental value. We predict that the stacking fault ribbon c...

Highly uniform step and termination structures on 4Hand 6H-SiC(0001) surfaces have been prepared via moderate annealing in disilane. Atomic force microscopy and dark-field low-energy electron microscopy imaging indicate single-phase terminations separated solely by half-unit-cell-height steps, driven by stacking fault energy. The atomic structure of 4H-SiC(0001)p 3 p3R30 -Si has been determined...

We present a general method for calculating the stacking-fault energy in simple metals, and then we apply this to the ( 1 1 2 ) faults in body-centred cubic (BCC) metals. Our method contains no approximations for a given wavenumber characteristic (or equivalently the pair potential). Our results show that metastable faults do indeed exist in the simple BCC metals (Li, Na. K, Rb, Cs, Ca. Sr, Ba)...

We determine the nonlinear mechanical behavior of a prototypical zeolitic imidazolate framework (ZIF-8) along two modes of mechanical failure in response to tensile and shear forces using first-principles simulations. Our generalized stacking fault energy surface reveals an intrinsic stacking fault of surprisingly low energy comparable to that in copper, though the energy barrier associated wit...

We have investigated the structure of non-polar GaN, both on the M - and A-plane, grown on LiGaO2 by plasma-assisted molecular beam epitaxy. The epitaxial relationship and the microstructure of the GaN films are investigated by transmission electron microscopy (TEM). The already reported epi-taxial relationship and for M -plane GaN is confirmed. The main defects are threading dislocations and s...

Oxygen greatly affects the mechanical properties of titanium. In addition, dislocations and twin boundaries influence the plastics deformation of hexagonal close-packed metals. As part of a systematic study of defects interactions in Ti, we investigate the interactions of oxygen with ð10 12Þ twin boundaries and ð10 10Þ prism plane stacking faults. The energetics of four interstitial sites in th...

A long-standing dilemma in the geology of Israel is whether the Carmel Fault (CF) is currently active and to what extent does it contribute to the seismic hazard of the city of Haifa and the nearby petrochemical industrial area. In this study we use InSAR stacking and PSInSAR to measure the surface movements on both sides of the CF. Processing single interferograms showed low signal to noise ra...