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Scripta Materialia 48 (2003) 147–153

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Geometrically necessary boundaries, incidental dislocation
boundaries and geometrically necessary dislocations
a,*
D.A. Hughes , N. Hansen b, D.J. Bammann a

a
Center for Materials and Engineering Sciences, Sandia National Laboratories, P.O. Box 969, Livermore, CA 94550, USA
b
Department of Materials Research, Center for Fundamental Research, Metal Structures in Four Dimensions, Risø National Laboratory,
DK-4000 Roskilde, Denmark
Accepted 9 August 2002

Abstract
The concept of statistically stored and geometrically necessary dislocations is discussed in terms of observed de-
formation microstructures subdivided by incidental dislocation and geometrically necessary boundaries. This discussion
is illustrated by examples of microstructures formed under conditions of homogeneous and nonhomogeneous defor-
mation, respectively.
Ó 2002 Acta Materialia Inc. Published by Elsevier Science Ltd. All rights reserved.

1. Introduction tistically stored dislocations, of density qS , which
accumulate under uniform plastic deformation
Plastic deformation of metals occurs by the and geometrically necessary dislocations, of den-
formation, movement and storage of dislocations. sity qG , which provide compatible deformation for
The stored dislocations distribute into fairly reg- nonhomogeneous deformation of metals [2–4].
ular microstructures with characteristics that de- Experimentally, correlations between the de-
pend on process and material parameters [1]. formation pattern and the resulting microstructure
These parameters also determine whether the have also been explored, especially by transmission
deformation pattern is homogeneous or nonho- electron microscopy (TEM) investigations. These
mogeneous, in which nonhomogeneous deforma- observations have shown that a structural de-
tion implies that gradients of plastic deformation scription based on individual dislocations or dis-
(strain) exist. Gradients may depend on the load- locations arranged in smaller groups (tangles and
ing conditions and/or be induced by the micro- cell walls) is valid at low strains. However with
structure itself, e.g., near particles, fibers or cracks. increasing strain the characteristic structural fea-
Theoretically, a correlation between the defor- tures are dislocations assembled into boundaries
mation pattern and the stored dislocations has with relatively large misorientations across, i.e. the
been proposed by introducing the concept of sta- dislocation density required to accommodate the
lattice rotation in the boundaries is large. Signifi-
cantly, these rotations dispel the old notion that
*
Corresponding author. the boundaries and walls are multipolar or dipolar
E-mail address: darcyhu@sandia.gov (D.A. Hughes). arrangements with no net Burgers vector.

1359-6462/03/$ - see front matter Ó 2002 Acta Materialia Inc. Published by Elsevier Science Ltd. All rights reserved.
PII: S 1 3 5 9 - 6 4 6 2 ( 0 2 ) 0 0 3 5 8 - 5

) decreasing the energy. now concentrated in the boundary with an average differences in the partitioning of slip activity on the misorientation angle h. the Initially at very low strains. same slip systems. the average misorientation angle across the bound- dundant) and geometrically necessary (nonredun. 2 illustrates a key point that has generally the presence of a strain gradient during nonhomo. been neglected in the description and modeling of . / Scripta Materialia 48 (2003) 147–153 A consideration of the characteristics of the geneous (nonuniform) deformation.e. Section 1). 1. Finally current con. In contrast Fig. Differing characteristics have led to the strain gradients are induced. These differences in slip pattern promote. Hughes et al.e. The boundaries have been termed incidental disloca. or differences in the level of in which Sv is the boundary area per unit volume. 2) [11–13]. aries with increasing strain (see Fig. gives rise to observed boundaries has led to the suggestion that the storage of qG approximately equal to ð1=bÞdc= there are generally two types of boundaries that dx. net Burgers vector is practically zero. i. As a starting norm. lattice rotation h and net Burgers vector which for sary boundaries (GNBs). The storage qG can take place in a uni- between regions of different strain patterns to ac. dislocations forming the multipoles. in which IDBs form by small strains is approximately equal to the shear random trapping of dislocations and GNBs form strain c. one based on types of dislocation densities and the 3. suggestion that the boundaries can be distin- tinuum modeling approaches are briefly discussed guished into two types: IDBs and GNBs (see in light of these observations. their (h > 15°) equivalent to ordinary grain boundaries. Dislocation structures formed during nominally other on dislocation boundaries. In the present paper the two concepts... i. compatible deformation with fewer should be replaced by sin h for very large angles slip systems and dislocation interactions. Subsequently. (Note that this is the small angle approximation. Historical definitions of different types of dislo.148 D. thereby [10]. dipoles. the microstructural dislocation structures formed during nominally evolution during homogeneous deformation gives (macroscopically) homogeneous deformation will rise to the storage of dislocations in loose ar- be described with emphasis on the characteristics rangements. that for large strains. arrangements which do not give GNBs can develop into high angle boundaries rise to a significant rotation of the lattice. It also shows cations are stored in the form of tangles. presence of such a strain gradient gives rise to a tion boundaries (IDBs) and geometrically neces. Different strain patterns refer to one cation boundaries in which the lattice rotation is or more differences in the operating slip systems.6–9]). h on average. strains for both types of boundaries. dant) dislocations relies on the general assumption This figure shows that relatively significant angles that a homogenous (uniform) deformation (strain) of misorientation are formed at relatively low is accompanied by the storage of qS . This partitioning is illustrated in Fig.A. in which dc=dx is the gradient of plastic shear form and evolve by different mechanisms. qG is then equal to Sv h=b. These strain with distance (see for example [3. form distribution of dislocations or qG can be commodate the accompanying difference in lattice stored in specific arrangements for example dislo- rotation [5]. 2. will be discussed homogeneous deformation and related to experimental observations of de- formation microstructures. there is a strong tendency for the dislocation aries. at increasing strain of the deformation-induced dislocation bound. strain. These dislo. The separation of dislocation boundaries into cations IDBs and GNBs has been underpinned by their different scaling behavior and rate of increase in The distinction between statistically stored (re. This description will then be discussed in storage to occur within dislocation boundaries terms of qS and qG leading to a description and subdividing the structure on a smaller and smaller discussion of structures in metals in which large scale. showing a deformed microstructure in a trans- mission electron micrograph and as a sketch.

In addition to those dislocations. location density. TEM micrograph of a plan view of a GNB showing that aries developed in nominally homogeneous defor. The dislocations which form the misorienta- lines. rotation. The extensive experimental evidence ob. The attached schematic shows the arrangement of GNBs: solid lines and IDBs: speckled to h. Power law relationship between the average misorien- tation angle and applied von Mises strain for high purity cold rolled aluminum and nickel. the composition of a dislo- cation boundary shown in Fig. described in dislo- cation terms. / Scripta Materialia 48 (2003) 147–153 149 tained within the last decade by new TEM and scanning electron microscopy techniques refutes the persistant old notion. The rolling direction RD is marked as well as the trace tion angle are geometrically necessary for the lattice of the 111 slip planes. ie. Consider in detail. the dis- locations which do not contribute to the lattice ro- tation are present as redundant dislocations.g. that these groups of dislocations and walls are representative of dipolar and multipolar arrangements containing no net Burgers vector across them. 304 L stainless steel them.2°. D.26 at 1273 K. .A.. the boundary is made up of a regular array of dislocations mation have a significant net Burgers vector across creating an misorientation angle of 1. Transmission electron micrograph showing the ar. The average angle increases more rapidly with strain for GNBs than for IDBs. the area density which must be stored to create a lattice misorientation h is of the order h=b. they are redundant. 3. Hughes et al. For such a Fig. 3. dislocation microstructures: dislocation bound- Fig. 2. deformed in compression to a strain of 0. An ancillary misconception is that the dislocations forming the misorientation angle are in the mi- nority compared to redundant dislocations. þb and b) and thus not contribute deformed to a rolling reduction of 20%. as some dislocations may cancel rangement of dislocation boundaries developing in pure Ni each other (e. Con- sider the following analysis on the proportion of the majority nonredundant dislocations that are required for the rotation angle. For dislocation boundaries. 1. In most cases h=b is a minimum value of dis- Fig.

Differences in slip activity may or may not decrease in boundary width. for homogeneous deforma- density of dislocations can be calculated as 1=h. Applying this method in a misorientation indicates that large local rotations study of deformed aluminum at small to medium are formed as a part of the structural evolution strain has shown that the ratio of nonredundant to per se.) The observed misorientation with a rare redundant dislocation.e. spatial correlation of the boundary misorientation can be determined. Dislocations versus dislocation boundaries as a This direct distinction between dislocation structural concept densities is only possible for cases in which the individual dislocations in the boundary can be Considering the two concepts we have the fol- counted and h can be determined with good ac. process and is a basis for a later consideration of unless qG is very large. large accumulated differences in the slip system pected that this ratio is even higher at large strains activity or slip pattern on either side of the bound- due to the increase in misorientation angles and ary.16]. thus the density is accounted for almost related to the square root of the number of entirely by nonredundant boundary dislocations boundaries [15. In the tween homogeneous and nonhomogeneous defor- latter case a comparison between redundant and mation. Hughes et al. i. the large misorientation observed in the micro- tion density multiplied by 0:5 Gb2 .A. as well equal to qGNB removes one rational for qG . that the dislocation density can be calculated when . Estimates of total dislocations qG if they give rise to significant lattice density can be based on the measurement of the rotations. (Note that spa- boundary is thus 1=h  h=b. change the strain tensor on either side of the A spatial correlation [15.e. Dislocations are created in plus minus become lost or swamped by the nonredundant pairs. a difference in slip system activity is tion angles is observed due to the dislocation slip not equivalent to a strain gradient. large cumulative gradients of orientation and Based on the measured misorientation angle. followed by an estimate may be accounted for via qGNB . This naturally raises the question about stored energy which is equal to the total disloca. thereby an estimate of the area angles. 3 1=h ¼ 0:08 nm1 and h=b ¼ 0:08 result in a continuous increase with distance nm1 .150 D. tion. nonredundant boundary dislocation densities has In the accounting for dislocations. It is ex.g. it is not possible. glide away from each other and are subse. These large lattice rotations occur due to redundant dislocations is about 2–1 [14]. h. in which G is structure of homogeneous deformed metals. a distinction is made be- strain and large angles. It follows that with a saturation in the overall orientation/mis- the area density of redundant dislocations in the orientation change with distance. qIDB and qGNB . Nevertheless. qG . lowing expressions for the dislocation density per curacy. For the boundary tially random boundary misorientations would example in Fig. Instead alternat- density of rotational boundary dislocations can be ing boundary misorientations are more common calculated approximately as h=b. This result is difference for this saturation level is similar to the consistent with the fact that dislocations creating average boundary misorientation. This pair. namely as at grain boundaries or free surfaces. i. calling all of the total dislocation density. rotational boundaries have a lower energy per unit line length of dislocations than groups of redun- dant dislocations. those dislocations simply gradients. Consequently. While this method of distinction is possible unit volume: qS . a choice may to be estimated for an average boundary based on be to not distinguish between qS and qIDB as these a comparision of nonredundant densities obtained dislocations are stored as a result of random from measurement of the average boundary angle trapping of glide dislocations. It follows that qG and area per unit volume. boundary. 4. This means that taking qG quently trapped at dislocation boundaries. This the shear modulous. As an attempt for specimens deformed at low strain.. ing and the finite distance of travel results in a tified and the distance between the dislocations. dipoles and multipoles. boundary dislocations. for large to unify the concepts.16] of the misorienta. the misorientation are not observed. / Scripta Materialia 48 (2003) 147–153 boundary the individual dislocations can be iden. e.

e. / Scripta Materialia 48 (2003) 147–153 151 the strain gradient is known. metals containing fibers and/or 5. as well as far from the fibers. pattern analysis in the TEM. where The nonhomogeneous deformation of poly.e. For ex- that the concept of qS and qG . These observations suggest that yet for structures formed by homogeneous defor. which is not the case structure [17].1 [20]. should be limited to ample deformation according to the Taylor model structures formed by nonhomogeneous deforma.%SiC was strained in tension to strains of size. Typical examples of nonhomogeneous metals are polycrystals.2. age of qG . strain accommodation can take place by alterna- mation. Local dislocation densities were then . by a Kikuchi boundaries and triple junctions. f is the volume fraction of crystals is based on the assumption that the re. ticles has been done in an experiment where Al– qG was found to be ’e=bD where D is the grain 2vol. and that an experimental analysis of qG is the requirement of strain accommodation in the limited to cases where it is expected that qG  qS . Two examples have been chosen based on the existence of de. for particles that qG ¼ 8f c= Db. and that the lattice rotation can be prediction of the formation of qG and the ob- described in terms of qG this density has been servation of an increased dislocation density. By assuming that the in dislocation density near particles and fibers.1. This conclusion may also follow from measurements of the flow stress as a function of strain for polycrystals with 5. These cases have been chosen based on the grain boundary regions with large lattice rotations existence of detailed characterization of the dislo. quired strain accommodation due to different Experimental structural analysis by TEM grain orientations is reflected in lattice rotations in shows that generally there is a significant increase the grain boundary region. 0. tive slip patterns. polyslip of the grains. c is the shear strain. the fairly random occurrence of fibers. grain deformation takes place predominantly by there is a much clearer correlation between the single glide. which The discussion above leads to the suggestion may not give rise to the formation of qG . boundary region as the grains can deform ho- Two such cases will be discussed in the following. ference expressed in terms of the misorientation these same experiments have also shown that such angle/axis pairs with respect to a reference orien- boundary zones are not always common and that tation away from the fiber allowed the strain gra- many grain boundary regions show structures dients to be calculated in the regions around the which are indistinguishable from the matrix whiskers. The dislocation structures were Experimentally it must be expected that the characterized in the TEM and local orientations formation of qG gives rise to an increased dislo. i. A calculation of qG has been made based on the assumption of compatible deformation of 5. Dislocation structures formed in response to different grain sizes where the work hardening nonhomogeneous deformation contribution due to the presence of grain bound- aries appears to be highly material dependent [19]. An calculated on the assumption that voids and estimate of the dislocation density near these par- overlaps do not form in the grain boundary region. D. application of the qG concept. by the operation of five slip systems will remove tion.03 and 0. Hughes et al. polycrystals and metals reinforced with particles or In conclusion.A. Polycrystal deformation the particle/fiber and the matrix and it was found. An orientation dif- crease has been observed in many experiments.g. particles and D is the particle diameter [3]. for example. The nonhomogeneous deformation of metals tailed qualitative and quantitative microstructural containing hard particles or fibers leads to the stor- characterization. and qT ¼ qG þ qS [3]. mologously with the change in sample shape [18]. Metals containing particles or fibers particles and metals forming cracks. were measured in a finely spaced grid around the cation density and lattice rotation at grain fibers. While this in. does not make a polycrystal an ideal case for the cation microstructure.

Since the curl at each respect to material properties. thereby increasing the hardening through boundaries: IDBs and GNBs. Thus the geometrically necessary dislocations [3]. and with the increased storage of qS . may lead to the combined storage of qG with introduce the geometrically necessary dislocations the matrix dislocations. this In deforming metals the primary location and state variable can be included as an evolving mean storage of dislocations occurs within dislocation free path for the motion of statistically stored dis- boundaries and specifically in two types of locations. also be suggested that the term compatibility dis- tinuum models are limited to spatially random locations be used instead of geometrically necessary distributions of dislocations. that the observed spread of qG away from the This measure provides a convenient method to fiber. For example.152 D. elastic deformation gradient represents any in- compatibility introduced by plastic slip and rota- tion during deformation. boundaries con. If the curl to capture the essence of a dislocation boundary. Later compatibility theory of the incompatibility into both the flow stress was used to show that a similar closure failure or and the evolution of qS embeds an internal stress incompatibility of the deformation field was de. The observation or there is a discontinuity in the deformation field of a significantly higher dislocation density near from the presence of a defect (dislocation). Physically. Since the curl of the to estimate and measure qG . / Scripta Materialia 48 (2003) 147–153 calculated using the relationship between the dis. Continuum models variable. This comparison showed total density of dislocations. thereby making it difficult into crystal plasticity [24]. it makes an ideal state 6.. It follows the curl of the elastic deformation gradient. As a single crystal deforms and fragments is described by the nonvanishing of the Cartan into smaller misoriented regions. which the absolute density tensor describes the ent plasticity analysis. Its conjugate stress field can be introduced as a back stress on a slip system. Conse- the collective behavior of dislocations is via quently. differential geometry crystal plasticity model as well as the neighbor- was used to show that a closure failure in a crystal hood. dislocations for this more general application. the neighbor- taining a concentrated dislocation density with a hood at each point may include dislocations that net Burgers vector are very different than spatially may not be defined by the ‘‘classical’’ definition of random distributions of dislocations. except for the mathematical dislocations for both homogeneous and nonho- idea of disclinations. In addition. i. A the fibers led to the consideration that the calcu. . a direct connection exists between Note that the accuracy of this approach is continuum theory and geometrically necessary completely controlled by the accuracy of the dislocations. this application is more general because boundaries.e. whose appropriateness we do mogeneous deformation can be captured. point depends upon its neighbors. umes between real GNBs. but are correct way to model the dislocation structure and nonredundant within that neighborhood.22]. However. In the 1950s. and the crystal slip and rotation. at the interface between the regions that influences scribed by the curl of the elastic deformation.A. duction of net and absolute dislocation density The experimental findings were compared with a tensors [23] in terms of a dislocation tensor [2] in finite element method polycrystalline strain gradi. It may not discuss here. the deformation field is not compatible associated with the wall c  h [3]. further development in the theory was the intro- lated density was a good approximation of qG [20]. the introduction torsion tensor [6. the space is twisted or has a tor- location spacing in the wall and the shear strain sion. but it is left to the future mation gradient (second order tensor). our mathematical tools for con. Hughes et al. This method captures that both of these measures were identical [7]. does not vanish. while the net dislo- that the experimentally estimated strain gradients cation density tensor describes the excess density were much lower and distributed over a larger of dislocations of one sign and is equivalent to volume than the calculated ones [21]. The the idea that rotated regions reflect the require- curl is essentially a cross product of the gradient ment for compatibility as in the case for the vol- operator with a vector or in this case the defor.

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