Dynamical Interaction between Thermally Activated Glide of Screw Dislocation and Self-Interstitial Clusters in Bcc Fe

Author(s):  
X.Y. Liu ◽  
S.B. Biner
2008 ◽  
Vol 139 ◽  
pp. 59-64 ◽  
Author(s):  
X.Y. Liu ◽  
S.B. Biner

Constant strain rate molecular dynamics simulations under the modified boundary conditions were performed to elucidate the interaction processes between the kink motion of screw dislocation and the glissile self-interstitial atom cluster loops in bcc Fe by using an EAM potential for Fe fitted to ab initio forces. The junction formation and the helical dislocation mechanisms were identified as two possible interaction processes. In the junction mechanism, the initial Burgers vector 1/2<111> of the cluster loop was transformed into <100>. In the helical dislocation mechanism first the absorption, followed by the formation of the helical dislocation and the emission of the cluster loop through Hirsch mechanism was observed. Substantial hardening was seen as result of the interactions. The stress-strain plots obtained for different loop sizes, temperature and strain rates were used to estimate the strengthening factors.


1998 ◽  
Vol 37 (Part 1, No. 7A) ◽  
pp. 4086-4091 ◽  
Author(s):  
Keiichi Edagawa ◽  
Takayoshi Suzuki ◽  
Shin Takeuchi

Author(s):  
E. L. Thomas ◽  
S. L. Sass

In polyethylene single crystals pairs of black and white lines spaced 700-3,000Å apart, parallel to the [100] and [010] directions, have been identified as microsector boundaries. A microsector is formed when the plane of chain folding changes over a small distance within a polymer crystal. In order for the different types of folds to accommodate at the boundary between the 2 fold domains, a staggering along the chain direction and a rotation of the chains in the plane of the boundary occurs. The black-white contrast from a microsector boundary can be explained in terms of these chain rotations. We demonstrate that microsectors can terminate within the crystal and interpret the observed terminal strain contrast in terms of a screw dislocation dipole model.


Author(s):  
Stuart McKernan ◽  
C. Barry Carter

The determination of the absolute polarity of a polar material is often crucial to the understanding of the defects which occur in such materials. Several methods exist by which this determination may be performed. In bulk, single-domain specimens, macroscopic techniques may be used, such as the different etching behavior, using the appropriate etchant, of surfaces with opposite polarity. X-ray measurements under conditions where Friedel’s law (which means that the intensity of reflections from planes of opposite polarity are indistinguishable) breaks down can also be used to determine the absolute polarity of bulk, single-domain specimens. On the microscopic scale, and particularly where antiphase boundaries (APBs), which separate regions of opposite polarity exist, electron microscopic techniques must be employed. Two techniques are commonly practised; the first [1], involves the dynamical interaction of hoLz lines which interfere constructively or destructively with the zero order reflection, depending on the crystal polarity. The crystal polarity can therefore be directly deduced from the relative intensity of these interactions.


2000 ◽  
Vol 80 (12) ◽  
pp. 2813-2825
Author(s):  
O. N. Senkov, J. J. Jonas, F. H. Froes
Keyword(s):  

2020 ◽  
Author(s):  
Masaki Saigo ◽  
Kiyoshi Miyata ◽  
Hajime Nakanotani ◽  
Chihaya Adachi ◽  
Ken Onda

We have investigated the solvent-dependence of structural changes along with intersystem crossing of a thermally activated delayed fluorescence (TADF) molecule, 3,4,5-tri(9H-carbazole-9-yl)benzonitrile (o-3CzBN), in toluene, tetrahydrofuran, and acetonitrile solutions using time-resolved infrared (TR-IR) spectroscopy and DFT calculations. We found that the geometries of the S1 and T1 states are very similar in all solvents though the photophysical properties mostly depend on the solvent. In addition, the time-dependent DFT calculations based on these geometries suggested that the thermally activated delayed fluorescence process of o-3CzBN is governed more by the higher-lying excited states than by the structural changes in the excited states.<br>


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