Characterization of defects in a martensitic CuAlNi shape-memory alloy

A water-quenched martensitic CuAlNi shape-memory alloy was investigated by a combination of coincidence Doppler broadening and positron-lifetime spectroscopy, supported by positron-lifetime calculations. We find a high defect concentration in the as-quenched samples. The positron-lifetime calculations suggest that the defects are not only single vacancies but also vacancies associated with dislocations and stacking faults. Annealing in the martensitic phase has no significant influence on the vacancy concentration but results in a different chemical environment around the vacancies. After aging in the austenitic phase the vacancy concentration decreases significantl

Defects in High Entropy Alloy HfNbTaTiZr Prepared by High Pressure Torsion

High entropy alloy HfNbTaTiZr was successfully processed by severe plastic deformation using high pressure torsion (HPT) and ultrafine grained microstructure was achieved. The microstructure of HPT-deformed HfNbTaTiZr alloy was characterized by X-ray diffraction and compared with conventionally cast ingots. The lattice defects introduced by HPT processing were characterized by positron annihilation spectroscopy. The X-ray diffraction profiles of HTP-deformed samples were extremely broadened due to small sizes of coherently diffracting domains and a high microstrain introduced by severe plastic deformation.11Ysciescopu

Evaluation of some basic positron-related characteristics of SiC

First-principles electronic structure and positron-state calculations for perfect and defected 3C- and 6H-SiC polytypes of SiC have been performed. Monovacancies and divacancies have been treated; the influence of lattice position and nitrogen impurities have been considered in the former case. Positron affinities and binding energies have been calculated; trends are discussed, and the results compared with recent atomic superposition method calculations. Experimental determination of the electron and positron work functions of the same 6H-SiC allows an assessment of the accuracy of the present first-principles calculations, and to suggest further improvements. © 1996 The American Physical Society.Peer reviewe

Characterization of microstructural defects in melt grown ZnO single crystals

Various nominally undoped, hydrothermally or melt grown (MG) ZnO single crystals have been investigated by standard positron lifetime measurements. Furthermore, optical transmission measurements and structural characterizations have been performed; the content of hydrogen in the bound state was determined by nuclear reaction analysis. A positron lifetime of 165-167 ps, measured for a brownish MG ZnO sample containing (0.30 0.03) at.- of bound hydrogen, matches perfectly the value found for colorless MG ZnO crystals. The edge shift, observed in the blue light domain of the optical absorption for the former sample with respect to the latter samples, is estimated to be 0.70 eV, and found equal to a value reported previously. The possible role of zinc interstitials is considered and discussed. Microstructure analysis by X-ray diffraction and transmission electron microscopy revealed the presence of stacking faults in MG crystals in a high concentration, which suggests these defects to be responsible for the observed positron lifetime. © 2011 American Institute of Physics.published_or_final_versio

Calculation of Positron Response from Embedded Nanoparticles

Nanoparticles embedded in a matrix can trap positrons under certain conditions. In such cases nanoparticles can be effectively studied by means of positron annihilation because positron annihilation characteristics contain information related to nanoparticles' electronic and atomic structure. Of great importance is to calculate the positron response from such nanoparticles. Then, nanoparticles can, in principle, be identified by comparing the measured and calculated positron annihilation response. For this purpose we present an efficient computational method based on the well-known atomic superposition technique. This method is explained in detail, justified on the basis of first principles calculations, and applied to Cu nanoparticles embedded in the Fe matrix

Comparison of Grain Boundary Structure in Metals and Semiconductors as Probed by Positrons

Vacancy behavior and positron trapping at selected grain boundaries in iron, nickel, and zirconia are investigated theoretically. It is found that the grain boundary vacancy loses its free volume in metals at moderate temperatures whereas it is kept up to very high temperatures in zirconia. The consequences of these findings for positron annihilation studies of nanocrystalline materials are discussed

Calculation of Positron Response from Embedded Nanoparticles

Nanoparticles embedded in a matrix can trap positrons under certain conditions. In such cases nanoparticles can be effectively studied by means of positron annihilation because positron annihilation characteristics contain information related to nanoparticles' electronic and atomic structure. Of great importance is to calculate the positron response from such nanoparticles. Then, nanoparticles can, in principle, be identified by comparing the measured and calculated positron annihilation response. For this purpose we present an efficient computational method based on the well-known atomic superposition technique. This method is explained in detail, justified on the basis of first principles calculations, and applied to Cu nanoparticles embedded in the Fe matrix