Thermodynamic model for polymorphic dislocation core spreading within hexagonal close packed metals

The behavior of the screw dislocation core in the presence of an external shear stress has been examined for the body-centered cubic and hexagonal close-packed phases of a model sodium lattice, using an effective ion–ion potential calculated from first principles. The Peierls stress for screw dislocations in the b.c.c. lattice at 0 °K is dependent on the orientation of the applied shear stress, and has a minimum value of 0.0105G, where G is the shear modulus, for slip in the twinning direction on {112} planes. The Peierls stress in the h.c.p. lattice is at least 25 times smaller. Dislocation movement in the model b.c.c. lattice takes place by unit translations on {110} planes, with the selection rule that no two consecutive translations can take place on the same slip plane.

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Generalization of first-principles thermodynamic model: Application to hexagonal close-packed ε-Fe3N

Computational Materials Science ◽

10.1016/j.commatsci.2016.01.022 ◽

2016 ◽

Vol 117 ◽

pp. 83-89 ◽

Cited By ~ 3

Author(s):

Morten B. Bakkedal ◽

Shun-Li Shang ◽

Zi-Kui Liu ◽

Marcel A.J. Somers

Keyword(s):

Thermodynamic Model ◽

First Principles ◽

Model Application ◽

Hexagonal Close Packed

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Evidence for a shear mechanism for the precipitation of γ-zirconium hydride in zirconium

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s042482010011043x ◽

1978 ◽

Vol 36 (1) ◽

pp. 658-659

Author(s):

G.J.C. Carpenter

Keyword(s):

Elevated Temperature ◽

Strain Field ◽

Zirconium Hydride ◽

Zirconium Atom ◽

Atom Diffusion ◽

Solvus Temperature ◽

Hexagonal Close Packed ◽

Partial Dislocations ◽

The Face

In zirconium-hydrogen alloys, rapid cooling from an elevated temperature causes precipitation of the face-centred tetragonal (fct) phase, γZrH, in the form of needles, parallel to the close-packed <1120>zr directions (1). With low hydrogen concentrations, the hydride solvus is sufficiently low that zirconium atom diffusion cannot occur. For example, with 6 μg/g hydrogen, the solvus temperature is approximately 370 K (2), at which only the hydrogen diffuses readily. Shears are therefore necessary to produce the crystallographic transformation from hexagonal close-packed (hep) zirconium to fct hydride.The simplest mechanism for the transformation is the passage of Shockley partial dislocations having Burgers vectors (b) of the type 1/3<0110> on every second (0001)Zr plane. If the partial dislocations are in the form of loops with the same b, the crosssection of a hydride precipitate will be as shown in fig.1. A consequence of this type of transformation is that a cumulative shear, S, is produced that leads to a strain field in the surrounding zirconium matrix, as illustrated in fig.2a.

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Direct structure images of 30° partial dislocation cores in silicon

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100126111 ◽

1987 ◽

Vol 45 ◽

pp. 242-243

Author(s):

J. C. Barry ◽

H. Alexander

Keyword(s):

Dislocation Core ◽

Preparation Technique ◽

Burgers Vector ◽

Vector Type ◽

Sample Preparation Technique ◽

Lattice Images ◽

Dislocation Core Structure ◽

Type Lattice ◽

Direct Inspection

Dislocations in silicon produced by plastic deformation are generally dissociated into partials. 60° dislocations (Burgers vector type 1/2[101]) are dissociated into 30°(Burgers vector type 1/6[211]) and 90°(Burgers vector type 1/6[112]) dislocations. The 30° partials may be either of “glide” or “shuffle” type. Lattice images of the 30° dislocation have been obtained with a JEM 100B, and with a JEM 200Cx. In the aforementioned experiments a reasonable but imperfect match was obtained with calculated images for the “glide” model. In the present experiment direct structure images of 30° dislocation cores have been obtained with a JEOL 4000EX. It is possible to deduce the 30° dislocation core structure by direct inspection of the images. Dislocations were produced by compression of single crystal Si (sample preparation technique described in Alexander et al.).

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Structural analysis of a Σ5 grain boundary in YBa2Cu3O7δ

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s042482010015054x ◽

1993 ◽

Vol 51 ◽

pp. 942-943

Author(s):

J.-Y. Wang ◽

Y. Zhu ◽

A.H. King ◽

M. Suenaga

Keyword(s):

Grain Boundary ◽

Lattice Mismatch ◽

Weak Link ◽

Coincidence Site Lattice ◽

Large Angle ◽

Dislocation Core ◽

Superconducting Order Parameter ◽

Outstanding Problem ◽

Transmission Electron

One outstanding problem in YBa2Cu3O7−δ superconductors is the weak link behavior of grain boundaries, especially boundaries with a large-angle misorientation. Increasing evidence shows that lattice mismatch at the boundaries contributes to variations in oxygen and cation concentrations at the boundaries, while the strain field surrounding a dislocation core at the boundary suppresses the superconducting order parameter. Thus, understanding the structure of the grain boundary and the grain boundary dislocations (which describe the topology of the boundary) is essential in elucidating the superconducting characteristics of boundaries. Here, we discuss our study of the structure of a Σ5 grain boundary by transmission electron microscopy. The characterization of the structure of the boundary was based on the coincidence site lattice (CSL) model.Fig.l shows two-beam images of the grain boundary near the projection. An array of grain boundary dislocations, with spacings of about 30nm, is clearly visible in Fig. 1(a), but invisible in Fig. 1(b).

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