Screw-dislocation motion in b.c.c. transition metals model calculation using a tight-binding-type electronic theory

1981 ◽  
Vol 43 (1) ◽  
pp. 1-17 ◽  
Author(s):  
Akikazu Sato ◽  
Kin-Ichi Masuda
1981 ◽  
Vol 36 (5) ◽  
pp. 454-460
Author(s):  
K. Masuda

Abstract A (self-consistent) tight-binding type electronic theory is used to calculate the atomic relax­ ation and force constants between atoms near the (001) surface of fee transition metals (Ni, Pd and Pt). Assuming the Born-Mayer potential for the short-range core repulsion energies, we have derived simple analytic expressions for the force constants near the surface. We then calculate the local vibrational spectra and Debye parameters for the surface atoms, employing the recursion method originally introduced by Haydock et al. for the electronic structure calculation of solids. It is shown that the inclusion of electronic effects (electronic rearrangement and surface relax­ation) is important for the vibration of surface atoms.


2004 ◽  
Vol 70 (10) ◽  
Author(s):  
Ju Li ◽  
Cai-Zhuang Wang ◽  
Jin-Peng Chang ◽  
Wei Cai ◽  
Vasily V. Bulatov ◽  
...  

1983 ◽  
Vol 50 (2) ◽  
pp. 383-389 ◽  
Author(s):  
L. M. Brock

The dynamic stress intensity factor for a stationary semi-infinite crack due to the motion of a screw dislocation is obtained analytically. The dislocation position, orientation, and speed are largely arbitrary. However, a dislocation traveling toward the crack surface is assumed to arrest upon arrival. It is found that discontinuities in speed and a nonsmooth path may cause discontinuities in the intensity factor and that dislocation arrest at any point causes the intensity factor to instantaneously assume a static value. Morever, explicit dependence on speed and orientation vanish when the dislocation moves directly toward or away from the crack edge. The results are applied to antiplane shear wave diffraction at the crack edge. For an incident step-stress plane wave, a stationary dislocation near the crack tip can either accelerate or delay attainment of a critical level of stress intensity, depending on the relative orientation of the crack, the dislocation, and the plane wave. However, if the incident wave also triggers dislocation motion, then the delaying effect is diminished and the acceleration is accentuated.


1982 ◽  
Vol 19 ◽  
Author(s):  
Mark O. Robbins ◽  
L.M. Falicov

ABSTRACTAn electronic theory for the total energy of binary alloys is presented. It treats the entire range of concentration and short-range order. The method in not ab initio, but requires only information about the pure elemental constituents of the alloy. Results for two very different metal series, monovalent metals and 4-d transition metals, are calculated and compared to experiment and other models. The model calculation allows us to examine the physical basis for experimental trends.


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