D. M.

BARNETT:Anisotropic Elastic Green’s Functions 741

phys. stat. sol. (b) 49, 741 (1972)

Subjeot classification: 12.1; 10.1; 21.1

Department of Materials Science and Engineerimg, Stanford University,

Stanford, California

The Precise Evaluation of Derivatives

of the Anisotropic Elastic Green’s Functions
BY
D. M. BARNETT

Using Fourier transforms a simple scheme for numerically obtaining derivatives of the
tensor Green’s functions of elasticity with great precision is derived. The technique develop-
ed circumvents the need for solving a n auxiliary eigenvalue problem and a related sextic
algebraic equation common to previous treatments of this problem. Numerical results for
the dilatation associated with a “dilatation center” in copper are given. The speed and
accuracy of the present technique indicates that a previous suggestion by Lothe is indeed
quite practical - namely, t h a t internal stress problems (dislocations, point defects, inclu-
sions, thermal stresses) in anisotropic medin may be treated using tabulated data for the
Green’s functions and their derivatives.
Mit der Fouriertransformation wird ein einfaches Schema fur die numerische Ableitung
der Greenschen Tensorfunktionen der Elastizitilt mit groDer Genauigkeit erhalten. Die ent-
wickelte Technik umgeht die Wsung eines damit verbundenen Eigenwertproblems und
einer algebraischen Gleichung sechsten Grades, die zu fruheren Behandlungen des Problems
gehorten. Numerische Ergebnisse fur die mit einem ,,Dilatationszentrum“ in Kupfer
verkniipfte Dilatation werden angegeben. Die Schnelligkeit und Genauigkeit der vorgeleg-
ten Technik zeigt, daD ein fruherer Vorschlag von Lothe. da13 innere Spannungsprobleme
(Versetzungen, Punktdefekte, Einschlusse. thermische Spannungen) in anisotropen Medien
mit tabellierten Daten fur Greensche Funktionen und deren Ableitungen behandelt werden
konnen, tatsiichlich praktikabel ist.
1. Introduction
Using a technique due to Fredholm [I], Lie and Koehler [2] have obtained
numerical results for the tensor elastic Green’s functions for cubic media. In an
infinite elastic medium the tensor Green’s function Qi,(r- r‘)is defined t o be
the displacement in the zidirection a t 1’ due t o a unit force applied in the xc
direction a t r’. I n addition, G i , = G , i . Knowledge of the derivatives of Gi,
enables one to solve for the elastic stresses, strains, and energies associated with
inclusion problems [3, 41, point defects, and dislocation loops [5, 6, 71.
There exists an equivalent and more straightforward technique for numeric-
ally obtaining Gi than t h a t given by Fredholm and employed by Lie and Koeh-
ler. This technique is based upon solving for Gi I by Fourier transform methods
and has been used by numerous authors (see, for example, [8,9]).What has not
been previously recognized is that the transform procedure may be used t o
develop a simple numerical scheme for evaluating the derivatives of the tensor
Green’s functions with great precision. Since these derivatives, rather than the
Green’s functions per se, are the quantities one requires t o solve a large class of
internal stress problems in anisotropic elasticity, the results of such an analysis
should prove quite applicable t o research in the continuum theory of lattice
defects.
742 D. M. BARNETT

It should be mentioned that Lie and Koehler obtained approximate trigono-

metric representations for the first two derivatives of air by fitting Gi, t o a
truncated double Fourier series and then differentiating these series term by
term. The accuracy claimed for the first derivatives was 15 and 8% for Cu and
Al, respectively, for the number of series terms used. M a l h [lo] has since shown
how the Lie and Koehler results could have been differentiated explicitly in
terms of the roots of a sextic algebraic equation. M a l h and Lothe [ll] have
derived results for “dislocation derivatives” which are closely related t o Green’s
function derivatives and which involve the roots of the sextic equation. The
method t o be discussed in this paper is capable of yielding Gi ,and its derivatives
without recourse t o solving a sextic equation, and, since an evaluation of the
final formulae will involve only simple numerical integration, accuracies of a t
least 0.1 t o 0.01% can be obtained by standard Romberg procedures. Further-
more, the method to be presented is unaffected by degenerate roots of the sextic
equation, whereas the previous analyses must be modified under such circum-
stances.
2. The Fourier Transform Method
Though the calculation of Gi , by this technique is well-documented in the
literature, we review the method here in order to clearly exhibit its extension t o
calculating derivatives of Gi ?. The tensor elastic Green’s functions satisfy the
set of linear partial differential equations

where the Ci j k l are components of the elastic constant tensor, dim is the Kron-
ecker delta, and 6 (r - r ‘ ) is the Dirac delta function. The xt are rectangular
Cartesian coordinates t o which the Cij k l are referred. All indices range from 1 to 3
with the usual convention of summation over repeated indices implied through-
out. The Fourier transform of G k m , g k m , is easily shown t o be

where K is the Fourier wave vector, K = IKl, x is a unit vector in the direction
of X,and the symmetric Christoffel stiffness matrix Mi,@) [12] and its symme-
tric inverse M f r ( x )are defined by
Mir(x) = C i j r s zj 2, , (3)
Mi*,(%)Mrm(2) =dim - (4)
Now, by the Fourier inversion theorem,
W

01
W

where we have considered only the real part of the integral in (6) since Gi, is real.
 Derivatives of the Anisotropic Elastic Green’s Function8 743
Since
a
__ cos {Rx - (r - r ’ ) } = -K z, -
sin { K x (r - r ’ ) } (7)
ax,
and
a2

ax, ax,
cos { K x - (T - p’)} = - K 2Z, Z, COB { K x * (r - T ’ ) } , (8)
we obtain
m

-w

Obviously, higher derivatives may be written in a similar fashion.

If we now call T a unit vector in the direction o f r - r‘,i.e.

and ma,ke the change of variables

Ic = K JT- r’l , d3k = Ir - &I3 d3K, k = ]kJ, (12)
we obtain
m

-w

-w

We shall now proceed to show that the triple integrals in (13 t o 15) can be re-
duced to single integrals about the unit circle in the plane x . T = 0.

3. Evaluation of Gi,
Consider a spherical polar coordinate system aligned with the direction of T so
that
d3k = k2 sin o dk do d y , x . T = cos o , (16)
where P -
! is a polar angle in the plane x T = 0. We will perform the k-inte-
gration first. Since (see, for example, Jones [13])
W
744 D.M. BARKETT

equation (13)reduces to
22
n

where the integrand in (18) must be evaluated in the plane a = n12 or, equi-
valently, x . T = 0. To integrate (18) for any direction T , it is only necessary
t o express x(Y)in the plane x T = 0. If we call 8 and 9 the angular spherical
polar coordinates of T relative t o the xl,x,, z3axes t o which the Cijkl are re-
ferred, then the vector components T , are given by
T , = sin 9 cos 8 , T , = sin 9 sin 8 , T3 = cos 9 . (19)
Now two fixed orthogonal unit vectors: a and b , in the plane x T = 0 are given
bv
a, = sin 8 , a2 = - cos 8 , a,=O,
b, = cos 9 cos 8 , b, = cos 9 sin 8 , b, = - sin p .
Hence, in the plane x T = 0, the vector x is given by
z, = a, cos Y + b, sin Y . (21)
Finally, noting that from (3) and (4),Mi*,(%)= Mi*,(- x ) , the span of integration
in (18)may be reduced t o [0,n]and we obtain
n

with x given by ( 2 1 ) . Equation ( 2 2 ) is extremely well suited t o rapid and accu-

rate Romberg numerical integration and has been used successfully by Barnett
and Swanger [14]for calculations of the energy of straight dislocations in aniso-
tropic media.
We note that the equivalence between (18) or ( 2 2 ) and Fredholm’s technique
may be obtained by the substitution y = e i P which converts the integrals over Y
into contour integrals about the circle 1yJ= 1. Bredholm’s solution is merely the
use of the Cauchy residue theorem t o evaluate the contour integrals in terms of
the roots of a sextic equation in the integrand over lyl = 1 .

4. The Derivatives of Gi,

To evaluate 8Gi J8x8,virtually the same technique suffices. We consider (14)
and integrate over k first, noting t h a t
m m

s
0

Thus,
ksin (kcosa) dk = - ~

0
cos (kcosa) dk = ~
n a 6 (cos a ) . (23)
-
s i n a aa
 Derivatives of the Anisotropic Elastic Green's Functions 74.6

Now axla0 is a unit vector perpendicular t o x and in the plane of x and T in the
direction of increasing a, so t h a t
}:{ -
- -Ts.
U=Z/2

ax,, we now point, out that

For use in calculating a2Girlax,
a22,
-
~ -'8
aa2

holds for all values of a.

By differentiating equations (3) and (4), we obtain

and

Using (26), (28), and (29) and defining

we obtain
n

where we use equation (21) everywhere a component of x appears in (30)and (31).

The expression for a2Gir/ax,ax,, is obtained in a similar fashion. Using (15)
and noting that

s
m m

k2 cos (k COB (T)dk = - 7t s c o s (kcos a) dk =

a ( C 0 s 012
0 0

yields the reduction

d 3 k ~ , ~ , M ~ f =~ ~ ~ ( k ~ ~ ~ ~ )
-w 0 0
2n n

da a a
(z,z,Mi*,)-~(coso). (33)
aa
0 0
746 D. M. BARNETT

Integrating again by parts and using the fact that

we obtain

Now

Using (26), (27),and (30),we know all quantities a t IJ = n/2 except for a2M;,./ao2
which may be obtained by differentiating (29) and using the relations (28) and
(30). The result is that

(39)
Finally

--
awi -
ax, ax,
n

0 -
where

Of course we again use (21) everywhere a component of x appears.

Though equations (31) and (40) appear cumbersome, the computer operations
involved in their numerical evaluation are rapid and accurate. Virtually the
same integrals as (31) and (40) have been evaluated and tabulated by Barnett
 Derivatives of the Anisotropic Elastic Green’s Functions 747

et al. [15] in order to calculate the line tension of straight dislocations in cubic
media. Using a Romberg integration scheme, accuracies of about 0.01% may
be easily achieved.

5. Applications to Cubic Media

Equations (22),(31), and (40) are valid for arbitrary anisotropy and they are
particularly well-suited t o numerical evaluation when the elastic medium has
cubic symmetry. By defining
c44 c11 - c44
, f=
e=
c12 + c44 c12 + c44

A = e2 ( e +f ) +e (f2 - 1) ( 2 ; 4 + 2; 4 + 2; 4)+ (f - 1)’ (f + 2) (21 2 2 23)’

(45)
with the remaining Mi*, obtainable by cyclic permutation. For an isotropic
medium, f = 1. The sextic equation which must be solved using the technique
of Fredholm, Malbn, or M a l h and Lothe is C ( y ) = 0 where y = ei y, unless
f = 1. Thus, a nice feature of the present
scheme is that, unlike the sextic technique,
known results for isotropy may be used t o
check computer routines.
To illustrate the accuracy of the present
method we use equation (40) t o calculate the
(scalar) dilatation, D, due t o three equal or-
thogonal double forces without moment
along the [OOl] directions in copper. Such a
force doublet arrangement is often used as
the continuum mechanical analogue of a
“point defect”; in the isotropic case the
arrangement is referred t o as a compression
or dilatation center, and it is well-known
that D = 0 in this instance. The dilatation
is given by

and Fig. 1 shows ( r - r‘I3 D as a function

of q~ for three values of 8 . The same quantity

Fig. 1. Angular dependence of lr - r‘la D for copper. D is the

dilatation due to three equal orthogonal sets of double forces
without moment along the [OOI] cube directions. Solid line:
present work, dashed line: Lie and Koehler [21

48 physica (b) 49/2

748 D. M. B ~ R N E T T :
Anisotropic Elastic Green’s Functions

calculated by Lie and Koehler [Z] using trigonometric curve fitting is shown
in dashed lines. Numerical calculations based upon the present technique are
accurate t o 0.01%. There exist ranges over which the Lie-Koehler approxi-
mation differs from the present results by almost a factor of two. Such inaccu-
racies are inherent in differentiating truncated trigonometric curve fits.

6. Conclusions
I n conclusion we mention that the results of the present work indicate t h a t
anisotropic internal stress calculations using tables of data for Green’s function
derivatives is now quite practical, in accordance with an earlier suggestion of
Lothe. It is worth mentioning that the integrals in (22), (31), and (40) can be
evaluated by the Cauchy residue theorem in terms of the roots of the equation
det Cijklz, zl = 0 (47)
i.e., the complex values of !€’ for which (47) is satisfied. Such an analysis has
recently been performed by M a l h [16]. Recent work by the author indicates
t h a t (47) is soluble analytically in terms of radicals for a medium of arbitrary
anisotropy. The proof of this rests upon Galois theory and extraction of the
formulae for the roots is an extremely tedious process. The results will be
reported in a later publication. There appears to be no particular advantage t o
this analytic prescription over the numerical scheme developed here.

Acknowledgements
It is a pleasure to acknowledge the financial support of the Advanced Research
Projects Agency through the Center for Materials Research a t Stanford Uni-
versity.
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(Received November 1, 1971)