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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9276 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2013-01-17 15:50:53 +00:00
parent 2cc946fdb5
commit f70511be87
1 changed files with 90 additions and 0 deletions
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90
lib/atc/ATC_TransferHardy.cpp
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@ -913,6 +913,16 @@ namespace ATC {
}
}
// compute:eshelby_stress
if (fieldFlags_(HARDY_ESHELBY_STRESS)) {
if (! (gradFlags_(DISPLACEMENT)) ) {
throw ATC_Error(0,"displacement_gradient needs to be defined for eshelby stress");
}
compute_eshelby_stress(hardyData_["eshelby_stress"],
hardyData_["energy"],hardyData_["stress"],
hardyData_["displacement_gradient"]);
}
// (3) computes
map <string,int>::const_iterator iter;
for (iter = computes_.begin(); iter != computes_.end(); iter++) {
@ -2166,6 +2176,86 @@ namespace ATC {
}// end if kernelFunction_
}
//-------------------------------------------------------------------
void ATC_TransferHardy::compute_eshelby_stress(DENS_MAT & M,
const DENS_MAT & E, const DENS_MAT & S, const DENS_MAT & H)
{
// eshelby stess:M, energy:E, stress:S, displacement gradient: H
// eshelby stress = W I - F^T.P = W I - C.S [energy]
// symmetric if isotropic S = a_0 I + a_1 C + a_2 C^2
M.reset(nNodes_,fieldSizes_(HARDY_ESHELBY_STRESS));
double nktv2p = lammpsInterface_->nktv2p();
DENS_MAT P(3,3),FT(3,3),FTP(3,3),ESH(3,3);
for (int i = 0; i < nNodes_; i++) {
double W = E(i,0);
ESH = 0.0;
ESH(0,0) = W; ESH(1,1) = W; ESH(2,2) = W;
// NOTE make matrix function to make this easier? see VoigtOp HACK
// copy to local
if (atomToElementMapType_ == LAGRANGIAN) {
// Stress notation convention:: 0:11 1:12 2:13 3:21 4:22 5:23 6:31 7:32 8:33
P(0,0) = S(i,0); P(0,1) = S(i,1); P(0,2) = S(i,2);
P(1,0) = S(i,3); P(1,1) = S(i,4); P(1,2) = S(i,5);
P(2,0) = S(i,6); P(2,1) = S(i,7); P(2,2) = S(i,8);
// NOTE can just remove \int P N dA in post-processing
//#define H_BASED
#ifdef H_BASED
FT(0,0) = H(i,0); FT(1,0) = H(i,1); FT(2,0) = H(i,2);
FT(0,1) = H(i,3); FT(1,1) = H(i,4); FT(2,1) = H(i,5);
FT(0,2) = H(i,6); FT(1,2) = H(i,7); FT(2,2) = H(i,8);
#else
FT(0,0) = 1+H(i,0); FT(1,0) = H(i,1); FT(2,0) = H(i,2);
FT(0,1) = H(i,3); FT(1,1) = 1+H(i,4); FT(2,1) = H(i,5);
FT(0,2) = H(i,6); FT(1,2) = H(i,7); FT(2,2) = 1+H(i,8);
#endif
}
else if (atomToElementMapType_ == EULERIAN) {
// Stress notation convention:: 0:11 1:22 2:33 3:12=21 4:13=31 5:23=32
P(0,0) = S(i,0); P(0,1) = S(i,3); P(0,2) = S(i,4);
P(1,0) = S(i,3); P(1,1) = S(i,1); P(1,2) = S(i,5);
P(2,0) = S(i,4); P(2,1) = S(i,5); P(2,2) = S(i,2);
FT(0,0) = H(i,0); FT(1,0) = H(i,1); FT(2,0) = H(i,2);
FT(0,1) = H(i,3); FT(1,1) = H(i,4); FT(2,1) = H(i,5);
FT(0,2) = H(i,6); FT(1,2) = H(i,7); FT(2,2) = H(i,8);
}
FTP = (1.0/nktv2p)*FT*P;
ESH -= FTP;
if (atomToElementMapType_ == EULERIAN) {
// For Eulerian analysis, M = F^T*(w-H^T.CauchyStress)
DENS_MAT Q(3,3);
// Q stores (1-H)
Q(0,0) = 1; Q(1,1) = 1; Q(2,2) = 1;
Q(0,1) = 0; Q(1,0) = 0;
Q(0,2) = 0; Q(2,0) = 0;
Q(1,2) = 0; Q(2,1) = 0;
Q -= FT.transpose();
DENS_MAT F; F.reset(3,3);
F = inv(Q);
FT = F.transpose();
ESH = FT*ESH;
}
// copy to global
M(i,0) = ESH(0,0); M(i,1) = ESH(0,1); M(i,2) = ESH(0,2);
M(i,3) = ESH(1,0); M(i,4) = ESH(1,1); M(i,5) = ESH(1,2);
M(i,6) = ESH(2,0); M(i,7) = ESH(2,1); M(i,8) = ESH(2,2);
#ifdef EXTENDED_ERROR_CHECKING
if (atomToElementMapType_ == LAGRANGIAN) {
cout << i << " W: " << W << "\n";
#ifdef H_BASED
FTP.print("H^T.P");
#else
FTP.print("F^T.P");
#endif
}
else if (atomToElementMapType_ == EULERIAN) {
cout << i << " w: " << W << "\n";
FTP.print("H^T.CauchyStress");
}
ESH.print("Eshelby stress");
#endif
}
}
//-------------------------------------------------------------------
// correction of node-pair distances due to periodicity
void ATC_TransferHardy::periodicity_correction(DENS_VEC& xaI)