Elastic green's function for an infinite half-space of a hexagonal continuum with its basal plane as surface

Elastic green's function for an infinite half-space of a hexagonal continuum with its basal plane as surface

ht. J. Ehgng ki Vol. 17, pp. 681489 @ PcrgamonPress Ltd., 1979. Pnnted in Great Britain ELASTIC GREEN’S FUNCTION FOR AN INFINITE HALF-SPACE OF A HEXA...

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ht. J. Ehgng ki Vol. 17, pp. 681489 @ PcrgamonPress Ltd., 1979. Pnnted in Great Britain

ELASTIC GREEN’S FUNCTION FOR AN INFINITE HALF-SPACE OF A HEXAGONAL CONTINUUM WITH ITS BASAL PLANE AS SURFACE N. G. LEE Theoretical

Physics

Division,

AERE,

(Communicated

Harwell,

Didcot,

Englandt

by I. N. SNEDDON)

Abstract-The elastic Green’s function of a continuum is useful for investigating distortions of a substrate due to localised surface forces. A closed analytic solution for the Green’s function is found for the specific case of an infinite half-space of a hexagonal continuum with its basal plane as surface. The problem differs from that of an infinite whole space as boundary conditions require that there are no normal components of stress at the surface. It has been verified that the result satisfies these boundary conditions and that, in the appropriate limit, it coincides with Mindlin’s solution for an isotropic continuum. An expression for the stresses in an infinite half-space of a hexagonal continuum with its basal plane as surface is appended. This expression has also been shown to agree with its isotropic counterpart in the appropriate limit.

1. INTRODUCTION

situations localised surface forces distort the substrate on which they act. Examples include catalytic systems where metal particles reside on surfaces, as well as cases where individual atoms are adsorbed. The substrate distortion is important in determining the various interaction energies involved and the precise configuration of adsoibed atoms expected[l]. All the important energies can be calculated from the Green’s function for the substrate. Here a specific case is analysed, namely a substrate consisting of an infinite half-space of a hexagonal continuum, with the surface as the basal plane. The results should be useful for studies of surface phenomena on hexagonal substrates like graphite, and as an approximation for (111) surfaces of cubic crystals (see Appendix 5). The Green’s function Q, for which a closed analytic solution is obtained, is defined by IN

MANY

practical

u(x) = ax,x’)f(x’) where &,x’ are points within the half-space and where u(x) is the displacement at 8 due to a point force f(x’) acting at 3’. The boundary conditions require that there are no normal components of stress at the surface. Numerical checks show that the solution agrees with that for the isotropic half-space121 in the appropriate limit and that the boundary conditions are satisfied. The expression for the stresses in an infinite half-space of a hexagonal continuum with its basal plane as surface, presented in Appendix 3, is similarly shown to agree with its isotropic counterpart[2] in the appropriate limit. 2. CALCULATION

OF

c(x.8’)

We choose a right-handed Cartesian co-ordinate system x1, x2 and x3 in which the half-space occupies x3 B 0, and apply a point force at (0, 0, h), where h 2 0. The equations that define the Green’s function Q are these CijtiGp.jl+ &pS(X,)S(xMX3- h) = 0, Ci3dkp.l

= 0,

x3 =

We shall find Q by decomposing it in the form

fOn attachment

from the School

of Mathematics,

University 681

of Bath.

0.

x320

(la)

(lb)

N. G. LEE

682

where 9” is the infinite body Green’s function and $7 satisfies x350

cii&G&,i,= 0%

SMG&J = - Ci3tiG&,t*

(2a)

x3 = 0.

WI

2.1 Form of Cm A solution for G” has been determined by Kriiner[3], and corrected by Willis[4]. G” is symmetric and in different notation has the form

ATx2(m: +23;

EN;

-h&+BN;

c,x,z

~9’

cNx2z (12

DN

mN =

/

.\/(aNq’+z2)

q2=x:tx:, z=x:,-h

u2,

a3

AN

=

(k-

BN

= (c44-

CN

=

(cl.?

DN

=

cc44 -

6

=

(al

-

ud(a3

-

at)

E2

= (a2

-

a3Hal

-

a3

E3

=

-

u,)(u2

-

03)

(a3

C,i)(C33

-

Wk)

aNdc33-

a&44)

+ (C13 +

+ d(c44

-

Qd2

+ UN@13

+ cd2

&V%)

&‘h)h4

-

&&d

are the roots of the quadratic equation c,,c~u~ t (~2:~+ ~c~~c~-- c,,c~~)u +

c33c44

=

0.

The formula is only valid when al, a2and u3 are distinct. Appendix 4 gives some relationships involving the parameters defined in the paper. When 4 = 0, an expression for G” is obtained by expanding the mN and using relationships given in Appendix 4. For this case ke find <- to be diagonal and proportional to I$‘.

The term G’ can be found via its Fourier transform 6’. Fist, writing I’ be verified film eqn (2a) that a general representation for 4’ is $h,

kz, x3)

=

R(F)

8

VM

=I

e-iHxx

for q’@, h), it can

(3)

where the VM (M = 1,2,3) are matrices to be found. This equation is derived in Appendix 1. In eqn (3) the matrix Z?(k) is the adjoint of the matrix L(k) which has components J-&C) = Ci&k~. If the roots of the equation det L(kr, k2, k3) = 0

(4)

ElasticGreen’sfunction for a hexagonalcontinuum

which lie in the upper half of the complex k3 plane are K?(k,,

PM= tkrtk2rKt’tk,,kd),

683

kz) (M = 1,2,3), then

(M = 1,2,3).

The corresponding expressions for the roots in the lower half of the complex k3 plane are K M+3= p

= (k,, kt, e(k,,

(M= 1,2,3).

k,)),

There are exactly three such roots K?(k,, k2). This follows from eqn (4), which is a sextic with real coefficients. Using the restrictions on the elastic constants given by Nye[5], it can be shown that for real non-zero &,det L(k) > 0, and hence that eqn (4) has no real roots. The matrices VM can be found using eqn (2b). It is shown in Appendix 2 that 3 F(lppR(~)VM

=

-

;



p

F =l

3

F(lJN)R(&N)eiKy’ 8

-1

(5)

det L(KN) ak,

where the matrix F(k) has components &(&) = CiJk,k,. Equation (5) may be satisfied by taking *

3 iKyh

v”=-&

=,

lNCktl

kJ

(6)

e

&

independently of M, where

The derivation of eqn (5) given in Appendix 2 assumes that the roots KY (M = 1,2,3) are distinct. This is so for the general transversely isotropic medium and for the cubic approximation to one. For a wholly isotropic medium there are three equal roots. We shall not develop our method of solution for the isotropic case as the Green’s function is well known[2]. From eqns (3) for 6’ and (6) for VM we have -3 @kr,

k2,

~3)

=

2

3 =,

$3

=,

l?(p)tN(k,,

kJe_

iqxj+iKqh

.

(7)

If we define & as a 2~imensional vector (k,, kd, the Fourier ~ansform of eqn (7) gives

where AMN = (x, kj f xrkz i x3- hK?)ilkj. We now evaluate the integrals to obtain the desired expression for c’(x). It may be noted that the functions K?(kl,k2) are homogeneous of degree one: Ky(hk,, hk2) = hK?(k,, k2) if A > 0. Since the algebraic part of the integrand in eqn (8) is homogeneous of degree - 1, we have (9) where 7 is the unit vector k/(kl _ _ and where

N. G. LEE

684

Equation (9) must be rewritten to allow for cases when the imaginary part of (x3=zero

hK,N) is

Hence Q’(x) = -

j-$$

i

N?r)6N(rl,,

lim f

M=I N=I c+o+

l?l=l X17)1+X272+

712) dS

X,b;,

-

hbN - ic

where bu = K?(vI,

with 191= 1,

712)

(M = 1,2,3).

Note that b’M= -a; (M = 1,2,3), so our demands that KY (M = 1,2,3) be distinct, and the aM (M = 1,2,3) likewise distinct, are equivalent. With lg(= 1, all of the integrals have a denominator of the form xlql +x2q2+ c, where c is independent of Q, and numerators containing at most terms in 1, nl, n2, vi, vi, 0~7)~.Letting n1 = cos 0, ~2 = sin 8 and z = e”, the integrals may be expressed in the form $I+~ r(z) dz, where r is a rational function. The integrals are easily evaluated to give the final result for Q’

ix1x2 44

4

(SMN - thfN) UMN :

(ShfN - tMN)UhfN:

ipMN(-h

x2):

X~UMNTMN

(10)

;

In eqn (10) the following definitions are used

(9

PMN (XI, X2) = E

+ -$ [SM#MN(~I,

X2) + t~Nhf~(X2,

x;tt’m - x:&N %Nblr

x2)

=

+ TMNb:

nMN

TMN=$(l-E) UMN= 2T*N -

2&N + q2 nMN

hfN

= d/(&N

+ q2)

TMN = - i(XjbM

(ii)

rMN =

bLHdN

SMN = bLH,@N

+ b&MAN

tm

-

= b:B&N

A&N

UMN = b #MPN

+ b&MXN

UMN = b&M(@N

+ PN) + b&DMAN

WMN = b&MPN

(iii)

+ hbN)

5 = alus

+ ~‘MDMXN

- P(a

+

r)l

-

* 2 xl)

X111

Elastic Green’s function for a hexagonal continuum

685

4N = (rP - Sa)a, PN =

&bN

+ aaN)

PN

=

@UN

+ UfiN)

AN

=

d~(~N

XN

= d&N

+ YNYN)+ (a + (0

+ ?)a,]

+ r)PNl

3

d=

(iv)

i%

bkdiv;

d = a, P, y, 8, (T

@, = b&BN BN

=

&33DN

-

c,3cN

YN=AN-CN SN

=

bN[C,3HN

UN

=

bN(DN

-

c33cN1

CN)

HN = BN - aN&.

With the exception of bL = - a; (M = 1,2,3), all other parameters are given in Section 2.1. Appendix 4 summarises some relations among the parameters. When 4 = 0, an expression for Q’ is obtained by expanding the nMN.For this case Q is found to be diagonal, with its elements consisting of sums of terms each of which is the reciprocal of a linear factor of x3 and h.

3. DISCUSSION

The Green’s function for an infinite half-space of a hexagonal continuum with its basal plane as surface is given by the sum of G”, given in Section 2.1, and Q’ of eqn (10). Both of these expressions are complicated, and it-is likely that practical use of them will involve numerical methods. We have used numerical methods for two specific checks. First, it has been demonstrated that the surface boundary condition is indeed satisfied. Secondly, we have shown that our results reduce to Mindlin’s for an isotropic system. Finally we observe that G&, x’) = G&‘, x). Acknowledgements-1

am very grateful to Prof. J. R. Willis and Dr. A. M. Stoneham for their invaluable advice.

REFERENCES [I] A. M. STONEHAM, Solid State Communications 24.425 (1977). [21 R. D. MINDLIN, Physics 7, 195 (1936). [3] E. KRONER, Zeit. fiir Physik 136,402 (1953). [4] J. R. WILLIS, Q. I. Mech. Appl. Math. 18,419 (l%S). [5] J. F. NYE, Physical Properties of Crystals, p. 142. Clarendon Press, Oxford (1957). (Received

28 September

APPENDIX

1978)

1

With x32 0 throughout, we have from eqn (2a) Qk,G$.&) = 0. On Fourier transforming we have Gik&J!(k) = 0 and

(Al)

N. G. LEE

686 This can be written

L(k)G’(k) = 0 so that in particular L(&M)Q’(&M)= 0,

(M= 1.2,..., 6).

Thus (M=l,2,...,6)

Q(&“, = R(rrM) V”,

tA2)

where VM (M = i,2,. . ., 4) are arbitrary matrices. From eqn (Al) we have c,,&p.,,(kt, kz,x3) so

= 0

that

or, in operator form k2, x,) = 0

W&k,,

(A3)

where the operator P(k) has com~nents

aI[ (WI+ 43k + i&3&I

E

P>ttk)= ctjkl(Sit+ &P$ + 43 ’ a*,

I

Since the @KM) are functions of kl, kz only, we may try

where the FM are functions to be found. Thus, from eqns (A2), (A3) and (A4) we have R(fJ”)VMFM(k,,

kz,xJ = 0.

Solutions of this equation are obtained by setting p(W+(k,,

k,, x,) = UB”)FM(k,, kr, x3.

(M= 1,2(..., 6).

This condition is satisfied if

$ 3 FM = - [KY FM,

$

FM = -(Kr)‘F”,

(M=1,2,....6)

3

and hence if FM = e-rK%,,

(M=

I,...,@.

Hence from eqns (A2), (A4) and (AS) we have

Since @(k,, kz,xJ-+O as xl++-,

we take @‘(k,,kz,x3 = $

=I

R(p)

Vu e-+~j z

as a general solution.

APPENDIX Defining

2

(AS)

Elastic Green’s function taking I, PO and writing y(x)

for a hexagonal continuum

687

for B”(J, h), it follows from eqn (la) that

@(k)= &

L!&)l-' enjh

which, inverted with respect to k3, gives

c”(k,,

k2, x,) = $

_‘- [L(k)]-’ I m

e-“@3-h’dk+

If we demand that x3 C h, we can evaluate the integral using Cauchy’s Theorem by closing the contour in the upper half of the complex k, plane. Thus

(A6)

From eqn (2b) we have, for xl = 0 c,,wG&., = - c,&%.i. Hence

and Q(k,. kzr x@(k,,

kz. x3 = - Q(k,, kz, x@-(k,,

(A7)

kz, x,),

where the operator Q(kl, kz. x3) has components

Qtdhv kz. ~3)= c,tkl Substituting

-

ik& + 6&t&-

a . axII

from eqns (3) and (A6) in eqn (A7) we have

Ok, kz,1,)

3 R(@-‘) e-‘K~W”

R(p)VMCqx3 =2 Q(k),k2,xd &=,

a

,

,-(KN)

det

x, = 0

ak, _

which gives eqn (5)

’ 3 F(&N)R(&N)e'Ky* VM= 2 J

F(p)R(p)

a det

=I

L(KN)

ak, where the

maWiX

F(k)

has components

&(k)

= C,jkk.

APPENDIX

3

Using the co-ordinate system defined in Section 2 the stresses set up in the continuum force I(?‘) at x’, are given by the symmetric matrix function (T(X) where u,(x) = c&)9 @I = Ull. 61 = lt.

and the symmetric

a2 = u22. c2 = Cm

(i,j=l,2

03 = 033, c3 = cm

,...,

u4 = u23. c4 = 2c23.

matrix of strains C(F) is given by

Q(X) = 1 [u,.J(x) •t u&)1

= i IGek.,(SX’)t G,d&

&‘)lfk(f)~

Thus, redefining [ as one third of its original value (see eqn (to)), we have

at a point J due to the action of a

6) a5 = (Tn. es = 2Q3,

06 = u12

l6 =

2c,z

N. G. LEE

688

where the operator g is given by

and ,,(xi,12~=xl[-2~~(tm:~~~+X~~)

+& (

r

WI,

x2) =

[vMNbnrcl,-CII(r~N~S~N)l+2CS6(SOIN_fIWN) 3 nMN q4

1 &[QN('h: -7 IT4 (

X2%

&

-

_i. yNf2x:-

_ aN [2ANx:z2 + ENq4] M',

ruin

4*

(

4X:) + Z2(4X: - 12x:)/#]

(

-3

q2

4 )

nMN

x:l_ [yNh*+

IbfN +

-

BNdl

(

mN

)

m'N

)

tMv1

&N

b'M

)I

TMN ~(d--X:hN-hfbhf~

+r [6

&* &-s(xdh,N t

mN

&MN-h,WI

d s,fx, x2j=c44

~N~~ll~~~~l3cN)

-hfN)I

(

~(~Y[SUNX:+~HNX:I-LIUN.X~)+~M~MN I)1 n

kt1-&6lffN

- Cd,

N )

(

4

)

>I

When q =0, an expression for $ is obtained by expanding the mN and the n&rN,and using relationships given in Appendix 4. For this case we find that

and that S3. ST,St* consist of sums of terms each of which is the reciprocal squared of a linear factor of xj and h.

APPENDIX Some relationships concerning the parameters defined in the paper

4

{b,, bx,b3t = f- 6,s - 62, - 63) Ez=B3=CL=Dr=H,=0 $,

AN/&=

$,

CN/EN

=O

a*=n3=B,=6,=a,=cr,+y,=O e2=83=~2=~~=~,=AI~~,=B,+p,=o bfk, + s,,fE -

bf(r,, + .s,,)E, = 0,

bf(r,+f,,)E,-b:(r,,+r,,)E,=o, bf~g,E, t bfU,iE, = 0,

(i,j=1,2,3) fi,j=

1,2,3)

(i,j=1,2,3)

Elastic Green’s function for a hexagonal continuum b;w,,E, - bfw& = 0,

r,, = t,, = 0,

689

(i,j= 1,2,3)

(i = I, 2,3; j = 2,3)

s,, = IA,,= If,, = w,, = 0,

(i=

1,2,3)

r,, =o Pdh

x2) = PdXh x2) = 0,

(i =

2,3).

APPENDIX 5 With reference to the co-ordinate system defined in Section 2, let cir denote the matrix of elastic constants of a hexagonal medium with its surface a basal plane. Similarly let ci, denote the matrix of elastic constants of a cubic medium with its surface a (I 11) plane. These matrices have a similar form, differing only in that some elements which are zero in the cji matrix are proportional to the anisotropy factor n = - c’,, + c;* t 2c$ in the c:, matrix. Thus, by setting to zero those elements of the c:, matrix which are proportional to n we may apply our results to cubic crystals with (Ill) surfaces. Clearly this approximation is likely to have greater validity for cubic crystals with weak anisotropy.

LJF3Vol. 17.No. 6-C