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    Harris 78

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    ayan849

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    eS September 1978 Vol. 74 No.9 South African Journal of Science Suid Afrikaanse Tydskrif vir Wetenskap Dislocations, Disclinations, Dispirations and Distractions 322 Reprinted from South African Journal of Science Vol.74 September 1978 Dislocations, Disclinations and Dispirations: Distractions in Very Naughty Crystals William F. Harris Department of Chemical Engineering. University ofthe Witwatersrand, Johannesburg, 2001 South Africa. In conventional erystals distractions are line defects related to the symmetry of the perfect orvstal. Dislocations depend on translational, aisclinations on rotational and dispirations on screw symmetry. Only the first are usually found in conventional erystals. The second are commion in regular assemblies in biology while the third occur in crystalline polymers. In thin shells and membranes distractions may be point defects. Distractions can move. The distractions form a complete set of symmetry-dependent defects in conventional erystals. Defects related 10 improper symmetry’ Gor example mirror symmetry) may be possible in other types of arrays. Introd L.JOLD LECTURER] ...I shall have to tel you ofthe faults of the ‘crystals. instead of virtues to put you in heat again. "MAY. Oh have the crystals feu, ke us? L Ceruinly, May. Their best virwes are shown in fighting their {alts And some have a great many faults: and some are very naughty ‘crystals indeed. (Ruskin. J. (1866). The Ethics of the Dust? Ten Lectures 10 Litle Housewives on the Elements of Crystallization. George Allen. London.) ‘The faults of men are many and varied: the faults of crystals are many but of few varieties. In contrast to man, a crystal ‘can {g0 wrong only in a limited number of ways, each of whicl precisely definable’.’ a consequence. no doubt. of the erystl's ‘limited, though..-stern, code of morals’ as Ruskin's Old Lecturer put it (One precisely definable fault of crystals isthe dislocation (not to be confused with the medical fault that enjoys the same ‘name). Examples are shown in Figs I and 2a and b. Iti the line defect, well known to solid-state physicists, which plays so important a role in plastic deformation of metals and many other phenomena besides. Associated with it, and in terms of which it is defined, is a translation (in the sense of a displacement without rotation). A second has associated with itself a rotation without translation, Frank called it a disinclination® but it has, since 1966, become known as a diselination (see Figs 2c and 4, 4, a, 6, 7, 9-12). (Frank used to regard a crystal containing ‘one’ as diseased?~pathological'—rather than naughty; the reverse of alcoholism, once naughtiness but now a disease.) A ‘third fault, the dispirarion*” (see Figs 2e and f and 5b), has, in a Fig. 1. An edge dislocation in b at the termination of an incomplete row. In ait has glided one step tothe lef long the lie ine Gashed). Inc ithas climbed one step downwards and lies ina new glide ie. Climb in this direction requires the Addition of a unit at the advancing end of the incomplete row. Clim in the reverse direction requires removal of unit. ABCDE in bis Burgers circuit around the dislocation. Steps ‘AB and CD consist of six subrsteps each; steps BC and DE ‘consist of ie each. Ina perfect latce the etek would form 8 ‘losed reciangle: 4 and £ would be superimposed. Here because of the dislocation, A and E are distinct: the separation sense, some of the characteristics of the other two. Nevertheless, it is distinct fault, the naughtiest of the three. It has an associated screw displacement: any crystal containing a Aspiration is, quite literally, screwed up. The’ three faults or imperfections, the dislocation, the isclination and the dispiration, form one complete family, the family of distractions #(Table 1). As we shall see below, the ‘Table, 1. The three types of distraction and their associated symmetry operations ‘Simmeirs “Assoeated distraction ‘Translational Dislocation Rotational Discination Serew Dispiraton isplacement associated with a distraction in a crystal is characteristic ofthe symmetry ofthe crystal. Edge dislocations The best-known distraction is the edge dislocation. In its most familiar form it appears as in Fig. 16. In that figure, one close. packed row of units is incomplete: it terminates within the array. Stritly the dislocation is associated with the array as a whole but, nevertheless, itis convenient to assign ita position; and so it is said to lie at the termination ofthe incomplete row. Its location, is indicated by the symbol 1 ‘We examine now a circuit ABCDE around the dislocation. AB and CD consist of six sub-steps each, and BC and DE five ‘each. Ina perfect array such a circuit would form a rectangle: and A would coincide. But in Fig. 15, because the circuit surrounds a dislocation, F and A do not coincide. Indeed, no matter the circuit one chooses, provided it closes in the perfect array, one finds that the end is displaced from the beginning by the same amount and in the same direction. This displacement is + Distraction is new term which, fr reasons given later, we find more stable than ouber terms in use including Weingarten Volterra defect. Like dislocation, discination and dispiration, it provides ample scope for those who like to play with words; so much the beter i should enterain as well particulary if we ty to heed Goethe's advice “So write for people oly to distract ‘em: To satistythem’'shopeless. anyway.” {Teansaton by P. Wayne (1949) of J. W. Goethe's Faust: Parr One Penguin Books. Harmondsworth, Middlesex. bis termed the Burgers vector ofthe dislocation. Any Burgers circuit around the dislocation would give the same Burgers vector. Glide is parallel to nd climb perpendicular to it. As explained in the text should, stcly speaking, be measured inthe perfect array before introduction o the defect. ‘South African Journal of Science Vol. 74 called the Burgers vector (after a pioneer in the theory of dislocations) and is represented by b. The circuit is known ara Burgers circuit. If we view Fig, 1b as « cross-section of a conventional crystal periodic in three dimensions. then the incomplete row becomes ‘an incomplete plane. The dislocation. a point in two dimensions, becomes a line bounding that incomplete plane. It is easy to visualize a straight edge dislocation line perpendicular to the plane of Fig. 1b, ‘A crystal is under strain if it contains a dislocation. In 2 crystal on which stresses are acting it may be possible for part of the energy to be relieved ifthe dislocation were to move. Thus dislocations may move if, in doing so, they lower the free energy ‘of the system. Edge dislocations can move parallel or perpendicular to +b by processes that are called glide and climb respectively. One step of each is shown from b in Fig. | to a and c respectively. In a the dislocation of b has glided one step to the left there has been a localized rearrangement around the moving. dislocation, and units that once formed an incomplete plane now find themselves belonging to a complete plane. In this manner the dislocation tine can glide any distance along the plane represented by the dashed line. That plane is the dislocation’s glide plane, Suppose we now imagine two neighbouring units immediately either side of some dislocation’s glide plane. If the dislocation happens to glide between them they will suffer | a E 1 ee Bs fe Hf ot 2, Six representative distractions. a and b are edge and Screw dislocations: c and d twist and wedge ascinations: and @ and f twist and wedge eapirations. Each crystal is shown ‘with a ole through iin teal crystals the hole may be fled with disordered material. The size and shape of the hole and the external configuration are not features ofthe distractions: t i the internal configuration of the Tatice thet mutters. The istraction line is shown through the hole in each case. The atracted crystals ae regarded as having fesuled from oper tions on a perfec crystal witha hole init Fig. 3) The faces of 2 ‘cu have suffered relative transition b in the distocations @ fand bya elative rotation inthe dscinations c and d, and a feliive screw deplacement in the dapirations « and J. The folaions in c to./ ate through 90°. ¢ and are dispirated frysals with anes of screw symmetty.Auhough ¢ has features ofboth cand a (a8 /has of d and bh, dspitations as fxplained inthe text. are not. merely combinations of dislocations and disclinations. September 1978 333 Fig. 3, A perfect crystal with a nominal distraction tine in. hole thiough it Ts the starting, pont for constructing the Gistacted crystals in Figs 2 and 5. One possible cutis shown, relative displacement given by b. As a dislocation travels it causes a localized slipping of material on one side of its glide plane relative to material on the other. Here lies the basis of the mechanisms underlying the plastic deformation of metal in response to externally applied stresses. Climb is a mechanism whereby a dislocation moves from one lide plane to another. In the process illustrated in Fig. 1b to ¢ the incomplete plane is extended one unit, a process that requires, the addition of units at the advancing edge of that plane. Climb in the opposite direction requires removal of units from the receding edge of the incomplete plane. In conventional crystals, removal ot addition of units is accomplished by the diffusion of, units occupying interstitial postions or of vacancies towards or away from the climbing dislocation line. For our purposes we need to consider climb no further except to say tha, in general, dislocation moves by a mixed process of climb and gli If we hollow the crystal out along the dislocation fine we do rot remove the dislocation (Fig. 2a). The same is true of all the other distractions. Screw dislocations “The Burgers vector b of the dislocation (Figs 1b and 2a) that we have examined is perpendicular to the dislocation line. It is that perpendicularity. which makes the disiocation an edge dislocation. The other special case is the screw dislocation (Fig. 2b). Any Burgers circuit around a screw dislocation line shows thatthe line is paralle* to +b. The presence of the defect joins the latice planes to form a spiral ramp that winds up about the dislocation line, In general a dislocation line in a crystal is, neither parallel nor perpendicular to its Burgers vector: in that case itis said to have mixed character. Dislocating a crystal ‘We consider & portion ofa perfect crystal with a straight hole ‘through it Fig. 3) and imagine making a planar cut through the crystal as far a the hole. A line through the hole we shall call the ‘nominal dislocation ine (shown dashed): when the operation of islocating the body has been completed that line will become the (actual) dislocation line. ‘We now imagine that the far face of the cut is given a displacement b, parallel to the nominal dislocation line, while the neat face is held fixed. Ifthe faces are then rejoined in their displaced positions the result will be a distorted body containing, a screw dislocation with Burgers vector b (Fig. 24). Sliding the far face outwards to the left, relative to the near face, by b and joining as before leads to an edge dislocation (Fig. 22). (The steps that result are not shown in Fig. 2a: they can be removed cither by adding or by removing units and are not essential features of the dislocation.) Suppose. instead of the cut shown in Fig, 3, we had chosen some other planar cut through to the hole. In the case of the screw dislocation the same internal configuration of the lattice “Hf £0 is measured in the dislocated lice i is mot strictly parallel to the dsioction ine. The further fom the line that b is measured. oF the taller by then the more nearly parallel. We avoid this problem later by specifying orientation with respect to the nominal traction line. 334 ‘would have resulted (Steps in the surface would not occupy the same positions, and so the external configuration would be different) If we ignore the external configuration it turns out that the same screw dislocation is produced regardless of position of the cut ‘All displacements b that we have discussed so far have been parallel to the planar cuts: the faces of the cut have simply slid relative to each other while maintaining contact. In general. however. the displacement may carry the faces apart and result in a gap of. in reverse, carry them through one another. To ‘maintain the separation of the faces inthe first case we need 10 fill the gap, while to perform the operation in the second case we need to remove material. For example, the edge dislocation of Fig. 2a could have resulted from a cut into the front face of Fig. 13 with the lft face ofthe cut displaced by b relative to the right face, The resulting gap would have been filled by one plane of units, (That plane becomes the incomplete plane of the edge dislocation described above.) Had the cut been into the rear face (of Fig. 3, displacement of the right face by b would have been possible only after an incomplete plane of units had first been emoved, Just as for the screw dislocation any cut will lead to the same edge dislocation: all that matters isthe displacement b, (Again we ignore steps inthe surface ofthe crystal.) ‘The cuts and joins made in introducing the dislocations of Figs 2a and b are no longer identifiable within the crystal. (We are assuming that joins are made with an ideal glue.) That would still be true ifthe displacement was nb where is an integer. The ‘general requirement for the displacement b to result in a dislocation is that b should match the translational periodicity of the lattice of, in other words, should be a translational symmetry ‘operation of the perfect lattice. (IF bis not a symmetry operation then the nominal dislocation line becomes what is known as a ‘partial dislocation line, and extending from it through the lattice is surface defect, the surface of mismatch of the joined faces. Partial dislocations do occur in metals but they will not concern tus further.) We conclude that dislocations are line defects associated with the translational symmetry ofthe perfect crystal In much the same way discinations and dispirations are line defects associated with the rotational and screw symmetries of a perfect crystal (Table 1) Diselinations ‘The operation one imagines for introducing a dlslination is the same as that for 2 dislocation except that the rel displacement of the faces of the cut is @ rotational, rather than translational, symmetry operation. The only axes of rotational symmetry possible in erystals are s-fold where s = 1,2. 3, 4 or 6 e ’ Fig, 4. Compact wedge discinatons of rotation 90° (a) and 90 (b), The ditclination line shown as a heavy dot inthe ‘entre, The atice bens around the positive wedge dscintion (a) and away from the negative variety. Following the ‘orientation ofthe lattice as one passes along a circuit from P round the defect shows the lattice rotates in the same sense in ‘aby a net amount but inthe opposite sense in b. Measured in ‘ndistorted material o becomes 90°. Removing a wedge of 90° to make a alters the rotational symmetry from fourfold to enol, hile inserting a wedge to make b resus in fivefold symmetry. South African Journal of Setence Vol. 74 September 1978 It follows that the only displacements that are possible for disclinations, if joins are not to be surface defects, are rotations through 360°/s or an integral multiple.* The smallest possible rotation is 60° (in which case s = 6) but even in that case the distortion ofthe lattice is severe. For the simple cubic lattice 4 and the smallest rotation is 90°. ‘We recall that the dislocation of Fig. 2a could have been introduced by cutting tothe hole through the front of Fig. 3 and. then displacing the let face of the cut by b. We could, instead, have twisted the left face through 90° relative tothe other, glued them together and then let go. The result would have been the diselination of Fig. 2c, called a twist dsclination of rotation 90°. 'As forthe dislocation we identify two special cases: ifthe axis of rotation is perpendicular to the nominal disclination line then the distraction isa twist disclination; if they are parallel then iis, a wedge tdisclination, Figure 2d shows a wedge disciination of rotation 90° in a cubic lattice. One can imagine that it was constructed by cutting into the front of the crystal of Fig. 3 and rotating one face of the cout into the other through 90°. To perform the operation a wedge of 90° would have to have been removed. We note that the presence ofthis wedge disclination alters the symmetry from fourfold to threefold about the discination line (Fig. 4a). Angles ‘of 180° and 270° can also be removed but itis clear that there are no other possibilities: removing 360° removes everything, and larger angles give structures with no simple physical interpretation. Tf, instead of removing a wedge, we insert one we obtain negative wedge disclination (Fig. 48). In the case of the wedge isclination of rotation -90° the rotational symmetry is altered to fivefold. There is no upper limit to the angle that can be inserted, Lattice lines generally bend around the defect in the case of positive wedge disclinations but away’ from it in the negative case (Fig. 4). By following the changing orientation of the lattice along a closed circuit we can determine the rotation of the wedge isclination enclosed by the circuit. (The method was first described by Nabarro.?) The clockwise triangular circuit in Fig. 4a, for example, consists of three steps. Along the first (from P) ‘2 chosen lattice orientation (small arrows) is parallel to the circuit; along the second it is approximately at right angles to the circuit; while along the ast (back to P) the two are anti-parallel. ‘Thus for one complete circuit we find thatthe lattice undergoes a net rotation of ax. In undistorted material aJ would represent & rotation of 90°. In this case the rotation of the latice by 90° ‘was in the same sense as the circuit (both clockwise here), but if Wwe repeat the provess with the negative wedge disclination of Fig. 40 we find thatthe lattice rotates through 90° but in a sense ‘opposite that of the cicuit. If we attempt to construct a disclination with a rotation that is not a symmetry operation then, as with dislocations. we find that the lattice does not match across a join. The nominal dlisclination ine becomes a partial disclination, and from it ‘extends a surface of mismatch through the latice. Figures 2c and d are typical sketches of twist and wedge disclinations (frst drawn by Frank’ in 1951), The reasons for the terms twist and wedge are clear from the geometrical form adopted by the disclinated crystal. However, the terms can be misleading. Iti nor the twist or the wedge that makes the defect a twist or wedge discination but rather the relationship of the axis of rotation to the nominal discination lin. Thus, although ‘There ate exceptional circumstances in which other rotations are possible ce footnote 78 in ref. 9). 4 The terminology wedge and twist was agreed upon at x conference in Gaithersburg. Maryland, in 1968." Wedge was fst used by Anthony land co-workers in 1968." By analogy with dislocations, Nabarro'* Used screw and edge for wedge and twit. For reasons piven later the terms wedge and twist may not be entirely satstactory (see also footnote Thofrf. 9). South African Journal of Science Vol. 74 September 1978 the defect in Fig. Sa could have been made by inserting a wedge ‘of 90° from below, the defect is nor a wedge discination but a {twist disclination of rotation 90° because the axis of rotation was perpendicular to the nominal disclination line, Figure Sa Tepresents a twist disclination of rotation 90° just as much as Fig. 2e does, (It was first sketched in 1974.) The difference between the two lies in the locations of the axes of rotation: in fone the axis intersects the nominal disclination line; in the other it does not ‘Compact and incompact disclinations ‘The axes of rotation of typical wedge disclinations (Figs 2d end 4) coincide with the nominal disclintion lines. We call them compact wedge disclinations. When the axis and line do not coincide we describe the disclination as incompact. An incompact wedge discination of rotation 90° is shown in Fig. 65 (compare with the compact variety in Fig. 4a). The locations of the nominal diselination line NV and the axis of rotation A are shown in a, Using the cut shown we rotate the faces away from each other about A to produce a gap of 90° which we fill wth a Fig. 5.A compact twist dscination (a) and dipiration (9). The axes of rotation, as inthe incompact varieties shown In Fig. 2c tnd e wee perpngicular tothe nominal distraction line of Fis. Sr but here they intersected it as wel. The dspration in b depends on the presence ofa 4-ana of screw symmetry. Note {hit although a could have Been constructed by inserting & 90" ‘wedge from below. itis not a wedge discination ‘wedge (shaded). Because there is no limit to the angle that can be inserted there is no upper limit 0 the rotation of incompact positive wedge disclinations. An example with rotation 360° is, given elsewhere (Fig. 10 of ref. 9). The shortest separation between the axis A and the hole containing the nominal disclination line N defines the ‘ncompaciness of a wedge disclination: the dselination of Fig. 68 ‘has an incompactness of two units while those of Figs 2d and 4 have zero incompactness. No disclinations have been found with incompactness greater than one lattice spacing. It is convenient to deseribe cases with incompactness greater than zero but less than one unit as nearly compact. In most cases nearly compact, disclinations have an incompactness of about half a unit. ‘The compact disclination of Fig. 4a lies at the centre of a smal triangular region: introduction of the defect requires the removal of a quarter of one small square (atthe apex of the 90° ‘wedge). If the structure of the squares is such that they cannot, ‘be subdivided, then dislinations in the array cannot be compact. Tn such cases wedge disclinations can be nearly compact. Examples of nearly compact wedge disclinations occur in Ishida's?=- arrays of bubbles flosting on water. The hexagonal array of bubbles allows disclinations (Fig. 7) whose rotations are multiples of 460°: a and 6 are 60° and ~60° respectively. Forming the compact variety with these rotations requires the removal or insertion of one-sixth of a bubble atthe apex of the wedge. a process that is not possible by the methods!" used to 335 6, Construction of an incompact wedge disclination (b) of fotation 90° fom # perfect array (@). Ni the nominal Uiscintion line through a oe in the perfect crystal D is the (actual dictination line through the diselnated crystal A the {nis of rotation isparalel to N. The defective crystal contains fan inserted 90" wedge. create the discinated arrays. The nearly compact variety, on the other hand, requires removal or insertion of an integral number fof bubbles: in effect one removes the shaded area in Fig. 8 (wedge without its ip) for a discination of rotation 60° and inserts that area for one of rotation ~60°. Tn an array of bubbles, compact and nearly compact Aisclinations of rotation 60° differ only in the size of the central bubble. Both have fivefold rotational symmetry. Generally, however, the symmetry of the units in the array will cause some

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