Arrangement of polyhedral units for [0001]-symmetrical tilt grain boundaries in zinc oxide

AbstractThe segregation of interstitial impurities to symmetrical tilt grain boundaries (STGB) in bodycentered cubic transition metals is studied by means of ab-initio electronic-structure calculations based on the local density functional theory (LDFT). Segregation energies as well as changes in atomic and electronic structures at the ΣE5 (310) [001] STGB in Mo caused by segregated interstitial C atoms are investigated. The results are compared to LDFT data obtained previously for the pure Σ5 (310) [001] STGB in Mo. Energetic stabilities and structural parameters calculated ab initio for several crystalline Molybdenum Carbide phases with cubic, tetragonal or hexagonal symmetries and different compositions, MoCx, are reported and compared to recent high-resolution transmission electron microscopy (HRTEM) observations of MoCx, intergranular films and precipitates formed by C segregation to a Σ5 (310) [001] STGB in a Mo bicrystal.

Download Full-text

On the Periodicity of ⟨001⟩ Symmetrical Tilt Grain Boundaries

MATERIALS TRANSACTIONS ◽

10.2320/matertrans.m2014394 ◽

2015 ◽

Vol 56 (3) ◽

pp. 281-287 ◽

Cited By ~ 10

Author(s):

Kazutoshi Inoue ◽

Mitsuhiro Saito ◽

Zhongchang Wang ◽

Motoko Kotani ◽

Yuichi Ikuhara

Keyword(s):

Grain Boundaries ◽

Symmetrical Tilt

Download Full-text

Local stress analysis of partial dislocation interactions with symmetrical-tilt grain boundaries containing E-structural units

The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics ◽

10.1080/14786435.2018.1486049 ◽

2018 ◽

Vol 98 (25) ◽

pp. 2345-2366 ◽

Cited By ~ 3

Author(s):

Sivasakthya Mohan ◽

Ruizhi Li ◽

Huck Beng Chew

Keyword(s):

Stress Analysis ◽

Grain Boundaries ◽

Partial Dislocation ◽

Local Stress ◽

Structural Units ◽

Dislocation Interactions ◽

Symmetrical Tilt

Download Full-text

Ab initio perspective of the 〈110〉 symmetrical tilt grain boundaries in bcc Fe: application of local energy and local stress

Journal of Materials Science ◽

10.1007/s10853-014-8038-1 ◽

2014 ◽

Vol 49 (11) ◽

pp. 3980-3995 ◽

Cited By ~ 27

Author(s):

Somesh Kr. Bhattacharya ◽

Shingo Tanaka ◽

Yoshinori Shiihara ◽

Masanori Kohyama

Keyword(s):

Ab Initio ◽

Grain Boundaries ◽

Local Stress ◽

Local Energy ◽

Symmetrical Tilt

Download Full-text

Electrical properties of mechanically activated zinc oxide

Science of Sintering ◽

10.2298/sos0602131v ◽

2006 ◽

Vol 38 (2) ◽

pp. 131-138 ◽

Cited By ~ 4

Author(s):

K. Vojisavljevic ◽

M. Zunic ◽

G. Brankovic ◽

T. Sreckovic

Keyword(s):

Zinc Oxide ◽

Electrical Properties ◽

Grain Boundaries ◽

Arrhenius Equation ◽

Electrical Response ◽

High Energy ◽

Microstructural Properties ◽

Impedance Analyzer ◽

Zinc Oxide Powder ◽

Zno Ceramics

Microstructural properties of a commercial zinc oxide powder were modified by mechanical activation in a high-energy vibro-mill. The obtained powders were dry pressed and sintered at 1100?C for 2 h. The electrical properties of grain boundaries of obtained ZnO ceramics were studied using an ac impedance analyzer. For that purpose, the ac electrical response was measured in the temperature range from 23 to 240?C in order to determine the resistance and capacitance of grain boundaries. The activation energies of conduction were obtained using an Arrhenius equation. Donor densities were calculated from Mott-Schottky measurements. The influence of microstructure, types and concentrations of defects on electrical properties was discussed.

Download Full-text