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In this section we describe the support-operators method. It is convenient at this
point to define a flux operator given by
- D
. The diffusion
operator of interest is given by the product of the divergence operator and the
flux operator:
-
D
. The support-operators method is based
upon the following three facts:
- Given appropriately defined scalar and vector inner products, the divergence
and flux operators are adjoint to one another.
- The adjoint of an operator varies with the definition of its associated inner
products, but is unique for fixed inner products.
- The product of an operator and its adjoint is a self-adjoint positive-definite
operator.
The mathematical details relating to these facts are given in
[8]. As explained in [8], the adjoint relationship between the
flux and divergence operators is embodied in the following integral
identity:
  . dA - D-1 . D dV =    dV ,
|
(4) |
where
is an arbitrary scalar function,
is an arbitrary vector
function, V
denotes a volume,
V
denotes its surface, and
denotes the outward-directed unit normal associated with that surface.
Our support-operators method can be conceptually described in the simplest terms
as follows:
- Define discrete scalar and vector spaces to be used in a discretization of
Eq. (4).
- Fully discretize all but the flux operator in Eq. (4) over a
single arbitrary cell. The flux operator is left in the general form
of a discrete vector as defined in Step 1.
- Solve for the discrete flux operator (i.e., for its vector
components) on a single arbitrary cell by requiring that the discrete version of
Eq. (4) hold for all elements of the discrete scalar and vector spaces defined in
Step 1.
- Obtain the interior-mesh discretization of Eq. (4) by connecting adjacent mesh
cells in such a way as to ensure that Eq. (4) is satisfied over the whole grid. This
simply amounts to enforcing continuity of intensity and flux at the cell interfaces.
- Change the flux operator at those cell faces on the exterior mesh
boundary so as to satisfy the appropriate boundary conditions.
- Combine the global divergence matrix and the global flux matrix
to obtain the global diffusion matrix.
The actual method is somewhat more complicated because of the presence of both
cell-center and cell-face intensities, but this description nonetheless conveys the
central theme of the method.
To make this process concrete, we next generate the diffusion matrix for a hexahedral
mesh in Cartesian geometry. To simplify the presentation, we assume a
logically-rectangular mesh. However, our discretization scheme can be used with
unstructured meshes as well. The assumption of a logically-rectangular mesh
merely simplifies our notation and mesh indexing. Our first step is to define that
indexing. For reasons explained later, both global and local indices are used. Let
us first consider the global indices. The cell centers carry integral global
indices, e.g.,
(i, j, k)
; cell vertices carry half-integral global indices, e.g.,
(i +
, j +
, k +
)
; and face centers carry mixed global indices composed of both
integral and half-integral indices, e.g.,
(i +
, j, k)
. The global indices for four of the vertices associated with cell
(i, j, k)
are illustrated in Fig. 1.
Figure 1:
Global indices for four vertices associated with cell (i, j, k)
.
|
|
Local indices allow us to uniquely define certain quantities that are associated with
a vertex or face center and a cell. For instance, the local indices for the
six faces associated with each cell are given by L, R, B, T, D, and U,
which denote Left, Right, Bottom, Top, Down, and Up respectively. This local
face indexing is illustrated for cell (i, j, k)
in Fig. 2 and Fig. 3 together with
a mapping between the local indices and the corresponding global indices.
Figure 2:
Local and global indices for three of six face centers associated
with cell (i, j, k)
.
|
|
Figure 3:
Local and global indices for three of six face centers associated
with cell (i, j, k)
.
|
|
Note that the index i
increases when moving from Left to Right, the
index j
increases when moving from Bottom to Top, and the index
k
increases when moving from the Down to Up. The local indices for
the vertices follow directly from the face indices in that each vertex is uniquely
shared by three faces of the cell. Thus the vertex shared by the Right, Top, and Up
faces is denoted by the index RTU. This vertex is illustrated in
Fig. 4.
Figure 4:
Vertex shared by the Right, Top, and Up faces having local index RTU.
|
|
The vector and matrix notation used from this point forward in this paper is
as follows. Each vector is denoted by an upper-case symbol and the components of that
vector are denoted by the corresponding lower-case symbol. An arrow is placed
over the upper-case symbol if the vector is physical, while a chevron is
placed above the upper-case symbol if the vector is algebraic. Each matrix is denoted
by a bold-face upper-case symbol and the elements of that matrix are denoted by the
corresponding lower-case symbol.
The intensities (scalars) are
defined to exist at both cell center:
, and on the face centers:
,
,
,
,
,
. As previously noted,
the use of local indices implies that a quantity is uniquely associated with a single
cell. For instance, unless it is otherwise stated, one should assume that
.
Vectors are defined in terms of face-area components located at the face
centers:
fLi, j, k
,
fRi, j, k
,
fBi, j, k
,
fTi, j, k
,
fDi, j, k
,
fUi, j, k
, where
fLi, j, k
denotes the dot product of
with the outward-directed area
vector located at the center of the left face of cell i, j, k
. The other face-area
components are defined analogously. The area vector is defined as the integral of the
outward-directed unit normal vector over the face, i.e.,
where
is a unit vector that is normal to the face at each point on the
face. The average outward-directed unit normal vector for the face is defined
as follows:
where
|
|
denotes the magnitude (standard Euclidean norm) of
.
Equation (6) can be used to convert face-area flux components to face-normal
components if desired, e.g.
Note that
|
|
is equal to the face area only when the face is flat.
Interestingly, the true face areas never arise in our discretization scheme. Since it
takes three components to define a full vector, the full vectors are considered to be
located at the cell vertices:
LBDi, j, k
,
RBDi, j, k
,
LTDi, j, k
,
RTDi, j, k
,
LBUi, j, k
,
RBUi, j, k
,
LTUi, j, k
,
RTUi, j, k
.
Each vertex vector is constructed using the face-area components and area
vectors associated with the three faces that share that vertex. For instance,
It is convenient for our purposes to define an algebraic vector,
, consisting
of the three face-area components associated with the physical vector,
,
e.g.,
= fLi, j, k, fBi, j, k, fDi, j, k ,
|
(9) |
where a superscript ``t'' denotes ``transpose.'' The three face-area components
associated with the Right-Top-Up vertex are illustrated in Fig. 5.
Figure 5:
Three face-center face-area components defining the flux vector at
vertex RTU.
|
|
The other vertex
vectors are defined in analogy with Eqs. (8) and (9).
As explained in Reference [8], the adjoint relationship between the gradient
and divergence operators is embodied in the following integral identity:
  . dA - D-1 . D dV =    dV ,
|
(10) |
where
is an arbitrary scalar function,
is an arbitrary vector
function, V
denotes a volume,
V
denotes its surface, and
denotes the outward-directed unit normal associated with that surface. The
vector
has the same mesh locations as the flux vector
, but is not
necessarily equal to
- D
. We stress that the function
at this point represents an arbitrary scalar function, and not necessarily
the solution of the diffusion equation. The next step in our support-operators method
is to discretize Eq. (10) over a single arbitrary cell in a special manner.
Specifically, we explicitly discretize all but the flux operator, which
is expressed in an implicit form consistent with our choice of discrete
vector unknowns. We assume indices of i, j, k
for the arbitrary cell, but suppress
these indices whenever possible in the discrete approximation to
Eq. (10) that follows. We first discretize the surface integral:
  . dA hL + hR + hB + hT + hD + hU.
|
(11) |
Next we approximate the flux volumetric integral:
D-1 LBD . LBD VLBD |
+ |
D-1 RBD . RBD VRBD |
|
D-1 LTD . LTD VLTD |
+ |
D-1 RTD . RTD VRTD |
|
D-1 LBU . LBU VLBU |
+ |
D-1 RBU . RBU VRBU |
|
D-1 LTU . LTU VLTU |
+ |
D-1 RTU . RTU VRTU , |
(12) |
where
LBD
denotes
- D
at the Left-Bottom-Down vertex, and
VLBD
denotes the volumetric weight associated with the Left-Bottom-Down vertex.
The remaining flux vectors and vertex volumetric weights are
analogously indexed. The choice of weights is one of the many free parameters in the
support-operators method. We have investigated several different choices.
Specifically:
- Each vertex weight can be given by one-eighth the triple product
associated with the vertex. For instance, using the local vertex indexing shown in
Fig. 2, the volumetric weight for the Left-Bottom-Down vertex is given by
VLBD =  1, 2 x 1, 3 . 1, 4 ,
|
(13) |
where
i, j
denotes the vector from vertex i
to vertex j
. Note that
these vertex weights do not sum to the total volume of the hexahedron unless the
hexahedron is a parallelepiped. We refer to these weights as the triple-product
weights.
- The weights given in Eq. (13) can be normalized, i.e., multiplied by a
single constant, so that they sum to the exact cell volume. We refer to
these weights as the normalized triple product weights.
- Each vertex weight can be set equal to the volume of an associated
sub-hexahedron. The sub-hexahedra are obtained by using four straight lines to
connect each face center with the four edge centers adjacent to it, and by using six
straight lines to connect the cell-center with the six face centers. A
sub-hexahedron is illustrated in Fig. 6.
Figure 6:
Sub-hexahedron associated with vertex.
|
|
Although it may not be obvious, each outer
face of each sub-hexahedron coincides with a face of the hexahedron. Thus the volumes
of the sub-hexahedra always sum to the total hexahedron volume. This is perhaps the
most natural choice for the volumetric weights. We refer to these weights as the
sub-hexahedron weights.
- Each vertex weight can be set to one-eighth of the total hexahedron volume. We
refer to these weights as the one-eighth weights.
Computational testing indicates that the sub-hexahedron and one-eighth weights are
decidedly inferior to the triple-product and normalized triple-product weights.
In particular, the triple-product and normalized triple-product weights both yield a
second-order-accurate diffusion discretization, whereas the sub-hexahedron and
one-eighth weights yield a first-order accurate diffusion discretization. Although
they both give second-order accuracy, the normalized triple-product weights seem
to be slightly more accurate than the triple product weights. Thus we use the
normalized triple-product weights.
One can evaluate the dot products in Eq. (12) using Eq. (8), but we find it better
for our purposes to evaluate them with the algebraic face-area flux vectors defined
by Eq. (9). This is achieved by first transforming the face-area vectors to Cartesian
vectors and then taking the dot product. Rather than explicitly define the
matrix that transforms face-area vectors to Cartesian vectors, we explicitly define
its inverse. The desired transformation matrix can then be obtained by either
algebraic or numerical inversion. For instance, let us consider the
Left-Bottom-Down vertex vectors. We denote the matrix that transforms face-area
vectors to Cartesian vectors as ALBD
. Its inverse is the matrix that transforms
Cartesian vectors to face-area vectors:
where
denotes a Left-Bottom-Down face-area flux vector,
and
denotes a Left-Bottom-Down Cartesian flux vector,
and
where aLx
denotes the x-component of the area vector associated with the left
face. The remaining components of the matrix are defined analogously. Transforming
the face-area vector for the Left-Bottom-Down vertex, we obtain:
LBD . LBD |
= |
A . ALBD , |
|
| |
= |
. SLBD , |
(18) |
where
Following Eq. (19), We now rewrite Eq. (12) in terms of face-area vectors as follows:
D-1 . SLBD VLBD |
+ |
D-1 . SRBD VRBD |
|
D-1 . SLTD VLTD |
+ |
D-1 . SRTD VRTD |
|
D-1 . SLBU VLBU |
+ |
D-1 . SRBU VRBU |
|
D-1 . SLTU VLTU |
+ |
D-1 . SRTU VRTU . |
(20) |
Although we assume a single diffusion coefficient in each cell in this paper, we
note that our scheme can accommodate a different diffusion coefficient for each
vertex. In particular, Eq. (20) becomes
DLBD-1 . SLBD VLBD |
+ |
DRBD-1 . SRBD VRBD |
|
DLTD-1 . SLTD VLTD |
+ |
DRTD-1 . SRTD VRTD |
|
DLBU-1 . SLBU VLBU |
+ |
DRBU-1 . SRBU VRBU |
|
DLTU-1 . SLTU VLTU |
+ |
DRTU-1 . SRTU VRTU , |
(21) |
Although we assume a scalar diffusion coefficient in this paper, we note that our
scheme can accommodate a tensor diffusion coefficient. Specifically, with a
tensor diffusion coefficient at each vertex, Eq. (21) becomes
 . GLBD VLBD |
+ |
 . GRBD VRBD |
|
 . GLTD VLTD |
+ |
 . GRTD VRTD |
|
 . GLBU VLBU |
+ |
 . GRBU VRBU |
|
 . GLTU VLTU |
+ |
 . GRTU VRTU , |
(22) |
where
and
DLBD
is the Left-Bottom-Down diffusion tensor in the Cartesian
basis. The remaining
G
-matrices are defined analogously. The diffusion
tensor must be symmetric positive-definite to ensure that its inverse exists and that
the coefficient matrix for our diffusion scheme is symmetric positive-definite.
Finally, we approximate the divergence volumetric integral:
   dV  hL + hR + hB + hT + hD + hU .
|
(24) |
Equations (11), (20), and (24) are certainly not unique, but they
are fairly straightforward. For instance, Eq. (11) represents a face-centered
second-order approximation to a surface integral. Equation (20) represents a
vertex-based volumetric integral consisting of a dot-product contribution from each
pair of vertex vectors. Equation (24) is a particularly simple second-order
approximation which gives all of the weight to the cell-center value of
while
using a surface-integral formulation for

that is analogous to the
surface-integral used in Eq. (11).
Substituting from Eqs. (11), (20), and
(24) into Eq. (10), we obtain the discrete version of Eq. (10):
hL + hR + hB + hT + hD + hU + |
D-1 . SLBD VLBD + D-1 . SRBD VRBD + |
D-1 . SLTD VLTD + D-1 . SRTD VRTD + |
D-1 . SLBU VLBU + D-1 . SRBU VRBU + |
D-1 . SLTU VLTU + D-1 . SLTU VRTU = |
 hL + hR + hB + hT + hD + hU . |
|
(25) |
Note that Eq. (25) defines the discrete inner products, discussed in Reference 8, that
are associated with the adjoint relationship between the divergence and gradient
operators. We can now use this relationship to solve for the flux
operator components by requiring that the resulting discretized identity hold
for all discrete
and
values. In particular, the equation for
the face-area component of
on any given cell face is obtained from
Eq. (25) simply by setting the same face-area component of
on that face to
unity and setting the remaining face-area components of
on all other faces
to zero. For instance, we obtain the equation for
fL
from Eq. (25) by setting hL
to unity and all the other face-area
components of
, i.e., hR
, hB
, hT
, hD
, hU
, to zero:
+ |
D-1 sL, LLBDfL + sL, BLBDfB + sL, DLBDfD VLBD |
|
| + |
D-1 sL, LLTDfL + sL, TLTDfT + sL, DLTDfD VLTD |
|
| + |
D-1 sL, LLBUfL + sL, BLBUfB + sL, ULBUfU VLBU |
|
| + |
D-1 sL, LLTUfL + sL, TLTUfT + sL, ULTUfU VLTU |
= , |
|
(26) |
where
sL, LLBD
denotes the (L, L)
element of the matrix
LBD
defined by Eq. (19). The remaining
S
-matrix elements are defined
analogously. We obtain the equation for fR
from Eq. (25) by setting hR
to unity
and all the other face components of
to zero:
+ |
D-1 sR, RRBDfR + sR, BRBDfB + sR, DRBDfD VRBD |
|
| + |
D-1 sR, RRTDfR + sR, TRTDfT + sR, DRTDfD VRTD |
|
| + |
D-1 sR, RRBUfR + sR, BRBUfB + sR, URBUfU VRBU |
|
| + |
D-1 sR, RRTUfR + sR, TRTUfT + sR, URTUfU VRTU |
= . |
|
(27) |
We obtain the equation for fB
from Eq. (25) by setting hB
to unity and all the
other face components of
to zero:
+ |
D-1 sB, LLBDfL + sB, BLBDfB + sB, DLBDfD VLBD |
|
| + |
D-1 sB, RRBDfR + sB, BRBDfB + sB, DRBDfD VRBD |
|
| + |
D-1 sB, LLBUfL + sB, BLBUfB + sB, ULBUfU VLBU |
|
| + |
D-1 sB, RRBUfR + sB, BRBUfB + sB, URBUfU VRBU |
= . |
|
(28) |
We obtain the equation for fT
from Eq. (25) by setting hT
to unity and all the
other face components of
to zero:
+ |
D-1 sT, LLTDfL + sT, TLTDfT + sT, DLTDfD VLTD |
|
| + |
D-1 sT, RRTDfR + sT, TRTDfT + sT, DRTDfD VRTD |
|
| + |
D-1 sT, LLTUfL + sT, TLTUfT + sT, ULTUfU VLTU |
|
| + |
D-1 sT, RRTUfR + sT, TRTUfT + sT, URTUfU VRTU |
= . |
|
(29) |
We obtain the equation for fD
from Eq. (25) by setting hD
to unity and all the
other face components of
to zero:
+ |
D-1 sD, LLBDfL + sD, BLBDfB + sD, DLBDfD VLBD |
|
| + |
D-1 sD, RRBDfR + sD, BRBDfB + sD, DRBDfD VRBD |
|
| + |
D-1 sD, LLTDfL + sD, TLTDfT + sD, DLTDfD VLTD |
|
| + |
D-1 sD, RRTDfR + sD, TRTDfT + sD, DRTDfD VRTD |
= . |
|
(30) |
Finally, we obtain the equation for fU
from Eq. (25) by setting hU
to unity and
all the other face components of
to zero:
+ |
D-1 sU, LLBUfL + sU, BLBUfB + sU, ULBUfU VLBU |
|
| + |
D-1 sU, RRBUfR + sU, BRBUfB + sU, URBUfU VRBU |
|
| + |
D-1 sU, LLTUfL + sU, TLTUfT + sU, ULTUfU VLTU |
|
| + |
D-1 sU, RRTUfR + sU, TRTUfT + sU, URTUfU VRTU |
= . |
|
(31) |
Equations (26) through (31) can be expressed in matrix form as follows:
where
= fL, fR, fB, fT, fD, fU ,
|
(33) |
and
 =  - , - , - , - , - , -  .
|
(34) |
To obtain a matrix that gives the face-center components of the flux
operator in terms of the face-center and cell-center intensities, one need simply
invert the
6 x 6
matrix in Eq. (32):