Papers by Keyword: Vacancy Cluster

Abstract: The strain-rate dependence of vacancy cluster sizes in hydrogen-charged martensitic steel AISI410 under tensile deformation was investigated using positron lifetime spectroscopy. The vacancy-cluster sizes in hydrogen-charged samples tended to increase with decreasing strain rates during the tensile deformations. The vacancy-cluster sizes significantly correlated to the tensile elongations to fracture. It was revealed that the presence of large-sized vacancy-clusters can cause the degradation of mechanical properties and followed by brittle fracture.

Abstract: A brief overview about the recent progress in developing the methods to calculate the properties of defects in solids is given and some recent examples on vacancy-related defects in SiC are presented.

Abstract: Kinetic mechanisms for the deactivation of nitrogen are investigated by ab initio theory. We find that the interaction of nitrogen with self-interstitials can lead to a deactivation of nitrogen, yet it cannot explain the experimentally observed nitrogen deactivation at high temperatures in silicon co-implanted samples. Our analysis suggests the aggregation of vacancies at high temperatures and the subsequent formation of passive nitrogen-vacancy complexes as a likely explanation.

Abstract: Positron annihilation radiation Doppler broadening spectroscopy was used to study defects in semi-insulating (SI) silicon carbide (SiC) substrates grown by high-temperature chemical vapour deposition (HTCVD). The Doppler broadening measurements show (i) that the measured samples contain vacancy clusters (ii) that the positron trapping to the clusters is increased in annealing (iii) that the chemical environment of the defects in the un-annealed samples is different from those of the annealed samples.

Abstract: A cluster comprising of indium, antimony and a vacancy in silicon is analysed using the planewave pseudopotential technique. This cluster has a strong binding energy that inhibits indium diffusion after high temperature anneal cycles. Difficulties associated with the simulation of a vacancy using the supercell approach are initially highlighted. In comparison, the indium-antimony-vacancy cluster reveals stronger distortions and reduction in relaxation volume. The indium atom in the relaxed cluster shows nearly six-fold coordination whereas the antimony atom acquires four neighbours. Due to the low symmetry of the centre, in constrast to the isolated vacancy there is no propensity for a Jahn-Teller effect. It gives rise to two defect levels in the bandgap.

Abstract: Positron lifetime spectroscopy was used to study defects in semi-insulating (SI) silicon carbide (SiC) substrates grown by high-temperature chemical vapor deposition (HTCVD). The measured positron lifetime spectra can be decomposed into two components, of which the longer corresponds to vacancy clusters. We have carried out atomic superposition calculations to estimate the size of these clusters.

Abstract: To investigate the effect of impurites, such as O, N and C, on migration behavior of vacancies in several types of V-4Cr-4Ti vanadium alloy with different amount of impurites from 207wppm to 866wppm were irradiated with 28 MeV electrons using an electron linear accelerator at 100 K. After irradiation, positron lifetime measurements were carried out. Single vacancies were produced in all samples. The vacancy clusters were formed at 348 K and 433 K in samples with lowest and highest impurites, respectively. The temperature forming vacancy clusters incresased with increaisng amount of impurites. The vacancy migaration is depended on the amount of impurities rather than the kind of impurity.