Documentos de Académico
Documentos de Profesional
Documentos de Cultura
Michael A. Celia
Water Resources Program, Dept. of Civil Engineering and Operations Research, Princeton
Universio', Princeton, NJ 08544, U.S.A.
Thomas F. Russell
Ismael Herrera
Instituto de Geofi'sica, UNAM, Apdo. Postal 22-582, 14000 Mexico D.F., Mexico
Richard E. Ewing
Many numerical methods use characteristic analysis to accommodate the advective component
of transport. Such characteristic methods include Eulerian-Lagrangian methods (ELM), modified
method of characteristics (MMOC), and operator splitting methods. A generalization of
characteristic methods can be developed using an approach that we refer to as an Eulerian-
Lagrangian localized adjoint method (ELLAM). This approach is a space-time extension of the
optimal test function (OTF) method. The method provides a consistent formulation by defining
test functions as specific solutions of the localized homogeneous adjoint equation. All relevant
boundary terms arise naturally in the ELLAM formulation, and a systematic and complete treat-
ment of boundary condition implementation results. This turns out to have significant implica-
tions for the calculation of boundary fluxes. An analysis of global mass conservation leads to
the final ELLAM approximation, which is shown to possess the conservative property. Numerical
calculations demonstrate the behaviour of the method with emphasis on treatment of boundary
conditions. Discussion of the method includes ideas on extensions to higher spatial dimensions,
reactive transport, and variable coefficient equations.
space-time operator. The next section develops a space- poral part. Such a space-time split, defined on a rectangular
time LAM algorithm that produces a general characteristic discretization of f2~.,, leads to optimal spatial algorithms
method algorithm. involving exponential weightings in space. The result is
analogous to the semi-discretizations presented by Celia
et al. t2.~:,
To derive a general family of characteristic methods
3 . AN E U L E R I A N - L A G R A N G I A N L A M FOR (CM's). a different set of solutions to equation (6) must
ADVECTION-DIFFUSION T R A N S P O R T be used. In particular, consider solutions to equation (6)
EQUATIONS which satisfy the two homogeneous sub-equations that are
Consider the one-dimensional transient advection-diffusion grouped based on common order of derivatives, viz.
equation subject to appropriate initial and boundary (Ow/Ot) + V(Ow/Ox) = 0 and D(OZw/Ox2) 0. The =
t""
development), so that the weak form of equation (3) is
: n*l
C°[fix], C -~ [P.,], is nonzero over only one time step (t" tegrals involving u(x, t) are eliminated. Furthermore, the
to t " ~ ) with discontinuities aligned along t" and t "~t, spatial jump operators can be evaluated explicitly from
and the lines of spatial derivative discontinuities align with equation (7) as
the characteristics that intersect the nodes xg_t, x~. and
-ri_~ at time level t ~+~. [[ Owf-'-[] = ~-Owy']] _ 1
Given this test function definition, the weak form of
the equation can be evaluated by standard integration pro-
cedures. Let the spatial locations at time level t" that are ~ OwUt ]] _ -2.
on the characteristic curves that intersect points x~_t, xg,
.'t'i+~ at t "÷t be denoted as x*_~, x*, and x ' t , respectively, ax _L]zl,~ &v
as illustrated in Fig. 1. These points are often referred Equation (8) can therefore be simplified as
to as the 'foot of the characteristic' points. In addition,
let the characteristic curves that pass through points xi- ~,
xi, and xi+ t at time t n÷l be identified by xi(t), x/~(t), and t"i' +/ £l( X , t n~-I )~'V[14-I( X ~ t n-I) d.~
x¢(t), respectively, as illustrated in Fig. 1. The weak form
of equation (3) can be rewritten in an equivalent form by
applying integration by parts. If u(x, t) is assumed to be - t~'*' u(x, tn)w~'+'(x, t") dx
at least CLcontinuous in x and C°-continuous in t (cases
of less restrictive continuity are treated in the companion
paper3°), then the integrations of equation (5) can be writ-
ten equivalently as a sum of elemental integrals. Integra- -D[ (~) l'o,".... u(x](t), t) dt
tion by parts can then be applied element-by-element,
where 'elements' are defined as the regions f~i, f~, etc.
Evaluation of the weak form (5), with wT*t(x, t) used as
the test function, leads to the following expression.
_ 9
Ill u(x~(t), t) dt
+ i ), t) dt
) ~ I,tx, t ) d x d t = 0
ioo it ( £ u - jr'w"+ u(xr(t
, 0 ,) 0
=
1.i,[0;,
o o 0, + V--
Ox
D
Ox 2
-fix, t) w~'+l(x, t)dx dt
]
= '
i
, ~', u p .
f(x, t )~
x ,v'~n+lz~x, t) dx dt. (9)
parallel. The definition of the test function then must be approximated in many different ways. Different approx-
modified to reflect this fact. This case is discussed in some imations of these integrals lead to different CM algorithms
detail in Section 8 of this paper. One possibility for this reported in the literature. In all of these, the integrals are
case is to assume that the locations of characteristic lines approximated in terms of nodal values of u at the discrete
between the characteristics that pass through adjacent time levels t" and H +t, so that the unknowns in the equa-
nodes at t "+~ are determined by linear interpolation in tion ultimately include the nodal values at time t "+l,
space for all t"_< t < t ~+~. Then the appropriate test [U~ -t, U~'+1 . . . . . U~-t], where U~ +t is an approxi-
function is mation to tt(xi, tn+l). For example, piecewise linear
spatial interpolation of u at time levels t "+l and t ~,
X--Xi_ t t n - i -- / coupled with a one-point (at t = t n-t) fully implicit
Y~.(l) -- X](t)
+ v x<Ct) i- x] (t) ' '
(x, t) ~ f~[, approximation to the temporal integrals, leads to the
modified method of characteristics (MMOC) of Douglas
w;"~(.v,t)=[ Xi+ I -- X
V
t n*l -- t
(x, t ) ~ f / /
and Russell ~9 and others. Given the definition of the test
x~(t) - x~.(t) x~(t) - xi(t) ' function w,.+t (x, t), and the assumptions of constant
_/_4.vand V, the resulting discrete approximation is
0, all other (x, t).
(11) ,+, + -, +
~_ Ow['+l-[i = 1
--aT--x IIx~,,, .<.(t) - xi(t) '
D(At)
[Un+l I -- 2U~ '+I --it- U/fil I ] ~--- F~'+I, (13)
~_ aw;'+'~
Ox
_
_LI.<;<,, x¢(t)
1
- x<((t) '
&r
where Nc is the (truncated) integer value of the Courant
-
[1_
-
Ox - U . 4 ! , ,
--
x~.(t)-x~(t)
"11- ,]
x~(t) - x~.(t)
number Cu
VAt
Cu - - - , c~ ~ 1 - [ C U - N c ] ,
Ar
Because these terms are functions of time, they cannot
be removed from the integrations of equation (8). The 1 c~ ~2 OL3
resulting approximation is thus of the form 31- + ,
6 2 2 6
2 c~3
i ["t' u(x,t ,,+1.)w~n+l (x, t,,+ I) dx f12 --
3
o~2 + - - ,
2
1 o~ C~ 2 Gt3
- <ix'*'' U(X, t n ) w i~*l (x, t")
x,*
dx ~3=--+--+
6 2 2 2
1
and
- D [ i/,[" [x~(t) - x~(t)]u(x~(t)' t) dt
~3
6
,. x~(t) - x ~ ( t ) + x¢(t) x~(t) u(xi(t)' t) dt
The grouping of terms involving ~i corresponds to exact
+ 'i t .... [ ~ 1 ] i ] evaluation of the integral at t = t", namely
,,, ( t ) - x~.(t) u(x,(t), t) dt
= i"
J
fw? +t dx dt. i x,*.,u(x, t ~)w i"+ I(x, t")dx,
J:l*- l
4. I M P L E M E N T A T I O N O F BOUNDARY
of equation (3) with V > 0), let us consider an example
CONDITIONS
for which the Courant number Cu-= [V(At)/(Ax)] is
The general CM equation (12) must be modified when between 1 and 2. The general case of arbitrary Cu is
one or more of the characteristic curves x~(t), Xic(t), xir(t) treated in the appendix. For the case of 1 _< Cu < 2, the
intersects the spatial boundary. When this occurs, boun- characteristic curve that passes through node 1 (x = x~)
dary conditions are introduced into the approximating at time t ''+~ intersects the boundary at x = x0 = 0 at time
equations. Proper evaluation of the weak form (8) t* _> t". Therefore, equations that involve this charac-
inherently accommodates all relevant boundary informa- teristic will be influenced by boundary conditions. Con-
tion, and provides for proper incorporation of boundary sider the ELLAM equation associated with node 1. The
conditions at all boundaries. As the following derivation test function i+n+
,1 I~~,x, t), illustrated in Fig. 2, differs from
demonstrates, careful treatment of both inflow and outflow the general function w~'+~ of Fig. 1 because part of w~'+1
boundaries allows proper incorporation of boundary con- intersects the boundary at x = 0 with nonzero value.
ditions and provides a formulation that demonstrably con- Therefore, evaluation of the general ELLAM equation (7)
serves global mass. In addition, the ELLAM equations is modified by boundary influences. The ELLAM equa-
apply to both the advection-diffusion (D ;e 0) and pure tion associated with wn+lz ~ ~x, t) is derived in the same
advection (D = 0) cases with no modification of the equa- way as equations (8) and (9): elemental integration by parts
tions required as D -- 0. is applied to each term, the condition that ~*w~'+~ = 0
To demonstrate the incorporation of boundary condi- in each element is recognized, and the appropriate jumps
tions at the inflow boundary (x = Xo = 0 for the example in the spatial derivative [[(Ow/Ox)~ are evaluated to
produce Similar terms arise in all equations for which the test
function is nonzero along a portion of the spatial boun-
dary. As illustrated in the development for arbitrary
l'~:u(x, t"-~)w~'~(x, t ''~) d_v Courant number presented in the appendix, equations
associated with all nodes to the left of node Nc + 2 will
have contributions from the inflow boundary (assuming
-
Eli
" u(x, t")w~"%r, t") dx constant Av and V), where Nc is the (truncated) integer
value of the Courant number Cu. For the present case of
1 < Cu < 2, Nc = 1 and equations associated with
+
t.,*l ] w6'-~ , wl'~-~, and w;'+ t will have boundary contributions.
V / u(0, t)wl"+~(0, t) dt
The relevant ELLAM equations for w~ -~ and w7 +~ are,
respectively,
u(0, t) dt
/ i ~t~(X,/.tt--[)lle,(~+l(x' /t/+l)dx
~t,,.I
- u(x~.(t), t) dt - Vt u(O, t)w~+l(O, t) dt
and,
Examination of equation (14) indicates that the spatial
integration at time t" is modified by the boundary at
x = 0. While this integration spans a distance of 2 ~ r in
t' i; u ( x , t "+' )w
. . . .2 ~ix,
.... t ~) dx
equation (7), it spans (2 - Cu),Sx in equation (14). The
part that is cut off by the boundary, corresponding to the
distance Cu(Ar), is picked up by the third integral on the - l)w 2 ix, t n) dx
left side of equation (14), which involves the boundary
value u(0, t). The next three integrals in equation (14)
correspond to the three diffusive terms in equation (7), + V u(O, t)w 2~+~(0, t) dt
except that the left integral is evaluated along x = 0 and t
/ (b)
formulation is derived, in which the terms multiplied by
D in equations (14), (15a), and (15b) are obtained by
integrating the diffusive term in equation (8) by parts once
instead of twice. Russell's paper emphasizes the special
case of ELLAM with one-point integration as an exten-
t~ sion of MMOC.
Treatment of outflow boundary conditions is somewhat
tn more involved. We herein propose an approach that
inherently conserves global mass and directly accom-
i > modates the case of pure advection (D = 0), for which
no outflow boundary condition is specified. To begin, let
Xo X1 X
Fig. 3. (a) Test function w~+l(x, t), and (b) associated (a)
geometric definitions
Equations (14), (15a), and (15b) are the three equations to.~
(for Nc = 1) in which inflow boundary conditions appear.
If a first-type boundary condition is specified, then all
integrals involving u(0, t) are known and the integrals
involving the diffusive flux D(Ou/Ox)(O, t) are unknown. t E,1
Ill ~-x (0, t)w~'+t(O, t)dt, Fig. 4. (a) Test function wE,+t (x, t), and (b) associated
geometric definitions
the boundary condition of equation (3), namely (Ou/Ox)(l, case, let a node be added at location (xE, t~,,), call it
t) = q t ( t ) , pertain. Again, consider the case of node cq, with the associated discrete unknown denoted
1 < Cu < 2, so that Nc = 1. ELLAM equations would by U~. Because this adds another unknown to the
be written for nodes x o, x~, x,_. . . . , XE_~; equations system, another algebraic equation must be sought. To
(14), (15a), and (15b) provide expressions for i = 0, 1, achieve this, an ELLAM equation can be written for the
2, respectively, while equation (9) applies for i = 3, 4, test function ~E~'"+~'~tx,t), with only that portion of the
. . . . E - 1. If the only unknowns in these equations are test function within the domain fix., used for the approxi-
nodal values at the new time level, then these equations mation (see Fig. 5). Use of We+t(x,"+~ t) as the test func-
constitute a set of E equations in E + 2 unknowns tion leads to the following ELLAM equation:
(unknowns ~ rOrr"+'/Ox~
'-'o ~, U,o"+' , U~,~+l . . ~. .+. .' . [~Ct). One -f
l XE-I
~:~ /g(X,
t n + º \)w E
n+l
(x, t "+~) dx
+ V u(l, t)w~+'(l, t) dt
XE-I
t ) w ~ '1+1 (x, t") dx
n
2
(a)
t°.
- u(x~E.(t), t) dt
gn
t;,
t° ..................... 4__~
- D f In*l Ou )-
,t-, Ox (l, t)w"E+l(l, t) dt ×o XE. 2 XE. ~ ×. ×
(b)
t~-t
Integrals along the boundary x =.re = I can again be In equation (18), use was made of the fact that within any
approximated using discrete nodal values. Because space-time element f2~ = P..~-t and w~ "t + .~_~ = 1. In
~ .en ~+ ~I , ' !, t) is nonzero at t = t n , and all information is addition, E~=0wY+t(x, t 7~-I) = 1 (0 _< x _< l) and
assumed known for t _< t", it is this information at node re
,-,~=0~v~ ,,,- i,~
tu. t) = 1 (t" _< t_< t~+l). Examination of
E and time t" that effectively serves to close the system. equation (18) indicates that a global balance is almost
For this case of second-type outflow boundary conditions achieved, with boundary and interior regions associated
and Nc = 1. there are E + 2 ELLAM equations written, with space-time element 9.(-~ being responsible for the
corresponding to w~ +~, w't'+~ . . . . . ~ ....
e+l. These are lack of global balance. This can be explained as follows.
solved for the nodal unknowns (OU~+~/Ox), U[' ~ , U", "-~, Within any space-time element that is bounded by nodes
.... U~ -~, U~. The nodal values that are known are x~ and x~+t at time t "+t, two test functions will be
U~'+t (from the inflow boundary condition); (OU~*7Ox), nonzero, namely w~'*~ and %+t. ~+~ Because these func-
(OU~/Ox), and (OU'~/Ox) (from the outflow boundary tions sum to one within the element, and because of the
condition): and U2- (from the solution at the previous symmetries in the boundary integral terms, the sum of
time step). the two E L L A M equations associated with these two test
While these equations provide a solution for the functions preserves a global balance. Element f2( +~ suf-
unknowns of interest, they generally fail to conserve global fers from the lack of an ELLAM equation associated with
mass. The next section addresses the question of mass con- test function we÷,(x, ~*t_ t). In fact, we+2
"+~ is the only re-
servation and presents a modification to these equations maining test function that has a nonzero region in
so that the resulting set of E L L A M equations possesses [0, l] × It", t ''+t ] for which an ELLAM equation has
the conservative property. not been written. The ELLAM equation associated with
WE+2
"+~ is not needed to solve for the nodal unknowns of
interest, because the known values from the previous time
5. G L O B A L MASS C O N S E R V A T I O N level at node E in effect supersede this equation. However,
this final equation can be used to enforce global mass
This section examines the global mass conservation pro- conservation.
perties of the E L L A M algorithm. As was done in the
The test function we+:tx, "+~" t) is illustrated in Fig. 6.
previous sections, the case of Nc = 1 will be used as an The E L L A M equation associated with test function
example. The general case is presented in the appendix. ~A/,n + I r
E+2tX, t) is
To analyze mass balance, consider summation of all
E L L A M equations. Summation of equations associated
with test functions w~+~ through w"+~e+~ results in the ~,L, [ Vu(l, t) - D &~ (l, "~]
, j j w"+lm
e+_'t~, t) dt
following expression. , t " 10)2
~tx, t") dx
+ u(x, t- n ~)We+
n+le
+o(1)[,!ii d,
-- Vu(O, t) -D -- (0, t) dt
,. Ox
+ t r{....
t;_,
Vu(l, t) - D - - (l, t)
Ox
+++] dt
(19)
+ f rL, I Vu(l, t)
Summation of equations (18) and (18) yields
Ou (l, t)]
- - l, n+l~
~ f ~ l ~X ~ t) dt
-D Ox
J
u(x, t "+l) d x - u(x, t") dr
.qj
D 1 ,L,
=
-++
Xo
fix, t) dx dt
+
S.... I
t ~
Vu(l, t) - D -
°+'
0X
(l, t)
1
dt
- f ~.~.,f(x, t ) [ l - wE+i~x,
,,+It t)] dx dt. (18) = 1~t'*l I xEf(x, t) dx dt, (20)
t" x
I
I
I -D u(@-t(t), t) dt
to+l ...................... ,___,__. t
t E+I
tn A = t ,ynE_
z" .tl+] ~ d.r dt + // (x, t) d.r dr. (21)
I I
I I
I I
I I > If equation (21) is used in place of equation (17), then
Xo XE.~ XE X the proper number of ELLAM equations results and these
equations possess the conservative property by summing
XE+I to equation (20) instead of equation (19).
The modifications presented above guarantee mass con-
servation for the system of equations that includes U,,,
(b) as an unknown. Recall that this was one of two options
presented in Section 4. the other being simple interpola-
tion between t" and t"-~ along the outflow boundary. If
this other option is chosen, global mass conservation can
to+ still be achieved. This is accomplished by using the
information contained in the ELLAM equations associated
with ~t~.
'"+~k and WE.,.
,*1 In this case, these two equations
(equations (17) and (19)) should be summed and then
added to the equation associated with w~--~ (equation
E+2 t E+I (16)) to obtain
tn
,.~ il(.r, t,,+l .... i . t,,~-l)
>
Xo XE.~ XE X
+ V,t(l, t) - D
Fig. 6. (a) Test fimction WE+,IX,
,,+s, t), and (b) associated t: "
geometric definitions
- u(.r, t' . )wL-
. . . i (.~,
. t") d.r
,, x~' I
which represents a statement of global mass conservation.
Therefore, the set of all ELLAM equations, including that
,,--t¢,. t), possesses the conservative
associated with we+>.,,
property. However, use of all ELLAM equations over-
+ u(x. t") dr ]
specifies the system by one equation. Yet without equa-
tion (19), the ELLAM system does not, in general, possess
the conservative property. Therefore, add equation (19) -D u(xf(t), t) dt
!
to equation (17), noting that xt -t ) = x:+'(t), =
f~E-t, and ~e+
-
Vu(l, t) -
°" ]
D - - (l, t) w e +"+~
l(l, t) dt , )
,L, Ox
9.¢ o,*- - ' c,.q ~ -"
through w~2~. If a first-type boundary condition is given Similarly', the combination of equations (16), (17), and
at the outflow boundary, then the first E equations may (19) {which eliminates U,~) can be achieved using
be solved independently. If detailed information about ELLAM with test function w** - w~-I a_, ~ve_It,~+ W"+IE<.
(0u/0x) at the outflow boundary is desired, then the addi-
tional equations should be written and solved for nodal x -.re_~ + - - - - - -- . t (.r. t) ~ f~,e
values of (OU'~--IlO.v) and (OU~,/Ox), subject to the global .kr .kr
conservation constraint imposed by the equation associated
with wZZ!. If only a measure of the total flux crossing
the boundary is of interest, the additional equations may w**(x, t ) =
be summed to give a relationship between total outflux
and known information. For the case of Nc = 1, rearrange- (.r. t) ~ 9,,E or (x, t) ~ fLE+' .
ment of equation (22) yields
0 , all other (x, t).
i
'~ ....
[ Vu(l, t ) - D Ou
0.r (I, t)
] tdt fw~+ I cLrdt The redefined test functions still satisfy the homogeneous
adjoint equation within each element.
While the ELLAM procedure provides a variety of
choices for dealing with boundary conditions, the pro-
i
+ , 9.~~' c~-:
f(x, t) dr dt cedure can always incorporate all types of possible boun-
dary conditions and guarantee that a conservative scheme
will result. In general, when a first-type boundary condi-
+D '~r .,,, u(x((t), t) dt tion is given at the inflow boundary, equations associated
with w~{+~ and w;'+l (1 _< i < E) should be written. The
first Nc + 2 of these equations will include boundary
- ( ~u1( x "']e (('""
t,'.) ' \ A r / , I t)dt] values of both u and (Ou/Ox). When a one-point fully im-
plicit approximation is used for these boundary integrals,
the flux integral only appears in the first (wd +z) equa-
tion. so that it is not necessary to solve for the unknown
+ u(x, r-. )WE
. . . . . ' (x, t") ckr (OulOx) at t ''+~. The ELLAM equation associated with
, rk-~
w~* ~ is uncoupled from the others in this case, and only
needs to be used to calculate the inflow boundary flux,
+ / u(x, (9 ctr if desired. As in the outflow case just described, this may
be done by replacing I'V'I ' + l with the sum w0'+l + w'l'+l,
which is equal to one on f~z. When a second- or third-
' rr n'ix n*l tn+t) type boundary condition is specified at the inflow boun-
- u(x, t ~wE (x, cir. (23) dary, the equation associated with w6'+l must be used,
,| ~A i
independent of the boundary integration method chosen.
The outflow boundary is similar to the inflow boundary
All information on the right side of equation (23) is known
in that no boundary equations are required when a first-
from the previous solution of the first E ELLAM equa-
type condition is specified. Boundary equations, associated
tions, so that the total flux may be calculated.
with wZ-+~, w~-~. . . . . are required only to calculate
For a second- or third-type boundary condition at the
the associated outflow boundary flux. For flux boundary
outflow boundary, the equation associated with w~÷~
conditions, at least one outflow boundary equation must
must be written. Evaluation of the boundary flux terms
be written, that being the equation based on the summed
may then proceed by introduction of the additional
test functions. If more refined information is desired at
unknown U~,, as illustrated in Section 4, or by inter-
the outflow boundary, individual equations may be writ-
polation between time levels n and n + 1. If the latter case
ten for wE''+~, ,rE+,
,,+t~, . . . , with concomitant introduc-
is chosen, then equation (16) would be replaced by equa-
tion of additional unknowns analogous to Us. above.
tion (22). Otherwise, equation (19) is summed with equa-
These procedures yield Eulerian-Lagrangian schemes that
tion (17) as demonstrated in equation (21). In all of these
demonstrably possess the conservative property.
cases, global mass conservation is assured.
A final consideration in boundary condition implemen-
Notice that summation of equations produces a result
tation is the matrix structure of the resulting set of algebraic
that is equivalent to deriving the ELLAM equations using
equations. This depends on the choice of trial function,
a redefined test function. This redefined test function is
call it fi, that is used to approximate the unknown func-
equal to the sum of the original test functions. For
tion u. So far, the trial function has not been specified,
example, combination of equations (17) and (19) results
except in the MMOC example of equation (13). In view
in equation (21); equation (21) can also be obtained by
of the test functions, which have the chapeau form at
application of ELLAM using the modified test function
~tf + tZ ~- [ t = t ''*E, it is natural to define t~ to be piecewise linear
w* -- )rE+ I + we, e, which has the definition,
also. Interpolation between t = t" and t = t n+~ can be
taken to be linear along characteristic lines. For one-space-
.r - Xe + t ''+~ - t ( x , t) E flle + l dimensional problems, this gives rise to the general matrix
.'-Yv Ar structure illustrated in Fig. 7. The matrix is symmetric,
w*(x, t ) = tridiagonal except for the additional column of potentially
1 , ( x , t) ( Q ~ + I
nonzero entries associated with inflow boundary infor-
0, , all other (x, t). mation. This corresponds to the unknown at the inflow
7. E X A M P L E C A L C U L A T I O N S
Nc+l X XXX This section reports on computations with ELLAM for
a simple test problem. As noted in Section 3, a backward
XXX
© XXX
Euler approximation of the temporal integrals in interior
elements yields the MMOC procedure, given by equa-
tion (13). The benefit of E L L A M in this context is that
it shows how to treat boundary conditions (Section 4) and
conserve mass (Section 5). Numerical results applying
MMOC to equation (3) have appeared previously -~2, but
Fig. Z General matrix structure for ELLAM. Nc is the that work did not address boundary conditions, since the
truncated integer value of the Courant number computational boundaries were far from the advecfing
front. Hence, mass conservation, which did hold in the
earlier work, was not studied in a situation where boun-
boundary: (OU~+L/Ox) for Dirichlet problems and Ut~'+l daries were important.
for Neumann or Robin problems. This column (except With this background, the natural experiments to per-
for the entry in row one) may be eliminated in the Dirichlet form here are ones that include significant boundary
problem via judicious one-point approximations to the in- behaviour. We consider an advecting Gaussian hill that
tegrals involving (Ou/Ox)(O, t). Elimination of this col- may cross an inflow or outflow boundary. Specifically,
umn is more difficult in the other cases of second- or third- we solve equation (3) with f = 0 and initial condition
type boundary conditions because it appears that larger
errors are committed in achieving this, although quan- u/(x) = e x p ( - rex-') (24)
titative demonstration of this point remains to be done.
Notice that the matrix structure depends entirely on the chosen so that the initial peak value of u and total mass
chosen interpolation (integration) rule, which is dictated are both equal to 1. As a pure initial-value problem, this
by choice of trial function. For example, a space-time in- leads to the analytical solution
terpolation that does not follow characteristic lines will
in general lead to less sparseness in the matrix stucture,
exp ( - T r ( x -
accompanied by loss of symmetry. This is an important
consideration because the computational advantages in
u,,(.v, t ) -
",/1 + 4reDt
i+4+Vt) 2).(25)
maintaining a symmetric tridiagonal matrix are signifi-
cant, while the accuracy of the method depends heavily We obtain an initial-boundary-value problem with the same
on the chosen interpolation. Further analysis is required solution by cutting off the spatial domain and imposing
to adequately resolve this issue. Dirichlet or flux boundary' conditions from equation (25),
viz.,
,(a, t ) = u,,(a, r)
6. T H E CASE O F P U R E A D V E C T I O N
or
The E L L A M equations presented in Sections 3 through
5 naturally accommodate the degenerate case of D = 0.
The approach incorporates all of the space-time domain +"' w ) ( ,,>, (26,
of interest and uses known information from the previous
time step (U~) to close the system of discrete equations.
u(b, t ) = uF,(b, t),
The E L L A M equations remain exactly as written in Sec-
tions 3, 4, and 5, with any terms multiplied by D simply or
set to zero. All terms involving spatial gradients (Ou/Ox)
disappear because they are all multiplied by D (actually (Vu- D ~-x)(b, Ott"\)( b , t) , (27)
art\ t)= (Vu,,- D ~-x
these terms never arise because the second-order diffusive
term is absent in the governing equation). Unknowns are
now { Uin + [ , U;n + I . . . . . U~n + l , U~,I (assummgNc
•
= 1). where f~ = [a, b] is the truncated spatial domain.
A first-type boundary condition is required at x = 0, since In the runs to be reported here, we used V = 10,
the governing equation is now formally first-order. D = 0.1, and Final time tf = 0.5, Thus, the peak traveled
Therefore U~ +~ will be known. Notice that the test func- from x = 0 to x = 5, over which distance the Peclet
tions continue to satisfy the homogeneous adjoint equa- number was 500. Some runs with D = 0.001, or Peclet
tion within each space-time element. This is why the number 50,000, were also made. The exact solutions in
ELLAM equations can be used directly as written above. these cases are shown in Fig. 8. We considered the
a-O.L
second integral in equation (9) uses tO(x) when n = 0.
lO For n > 0, as noted in Section 3, the integrals at t =t"
can be evaluated exactly, and this was done here. Integrals
0.8- such as the first in equation (9) were computed exactly,
0.6-
,=o
I\
I ;" ,
" ,=o,...
', :
"
and temporal integrals were replaced by backward Euler
approximations in order to obtain the MMOC procedure.
With these specifications, all calculations conserved mass
0.4-~ I I I i ;
to the level of machine roundoff.
0.2- I w' In the computations, we found it advantageous to con-
s# i ,
solidate the last two outflow-boundary elements described
0.0 in Section 4 into a single element. That is, instead of Nc
-2 0 2 4
trapezoids and one small triangle along the outflow boun-
dary, we have Nc - 1 trapezoids and one larger triangle.
D " 0.001 This corresponds to use of the function w** in Section
1.0 r'*
5, and avoids the possibility of anomalous answers on the
e small triangle. For a Dirichlet outflow condition, as noted
i
0.8 i
in Section 5, ELLAM solves for the outgoing flux as a
t=o.s; function of time; we considered piecewise-linear and
i
0.6 piecewise-constant representations of this function. For
i
full details of the implementation, see Ref. 43.
0.'~' i
t Results for the test runs are summarized in Table 1.
m
0.2- i All runs used D = 0.1 except for those designed by ' d ' ,
f
i which took D = 0.001. For the domains N and I, L 2
..,•
0.0 errors and peak values are given at the final time
-'2 0 2 4
t j = 0.5. For O, these are listed at t---0.25, at which
.,v
them in run 8, while they grow to size 0.002 in run 8d. t~+N,.-i], where OU/Ox is taken to be piecewise-linear,
These oscillations are attributable to the Dirichlet condi- in which case the known OU/Ox(xE, t") completes the
tion, as just noted, and the coarseness of the grid; they solution, or piecewise-constant, where OU/Ox(xE, t ) =
disappear in run I0 and in an analogous refinement of run OU/Ox(xE, t7) for t*÷t < t < t/*. When Cu >_ 2, we can
8d, and they are absent in runs 14 and 14d. Comparing examine the behaviour of the solution at x e as a function
7 - 1 2 and 1 3 - 1 8 to runs 1 through 6, it is interesting of t within a time step, while for Cu < 2 we can study
that the errors are generally smaller and the peak values the solution over multiple steps.
closer to those of the L- projection. This apparently hap- Runs 19 through 24, with a flux condition, were mostly
pens because the incoming peak is defined analytically well-behaved. At time 0.25, run 19 showed an oscilla-
by boundary data and has less time to accumulate errors tion of order 0.01 in the outflow values closest to t ", an
than in the N runs. The results support the contention that effect that disappeared with the smaller time step of run
ELLAM formulates the 'correct' approach to inflow boun- 20 or 20d. Run 21 experienced larger wiggles of order
daries in MMOC, and by extension, in ELM. 0.1 at time 0.25, which likewise were absent in runs 22,
Runs 19 through 30, with domain 0, also compare well 23, and 24. The L 2 errors indicate that the time step of
to runs 1 through 6 in the domain [x0, XE]. NO appre- run 21 is simply too large to lead to accurate results. In
ciable oscillations appeared in any of these runs. The only the runs with more than two time steps (20, 22, 23, and
case in which the U error is noticeably worse than in the 24), the outlet value was a smooth function of t across
N runs is run 26d, where the Dirichlet outflow condition multiple steps. We view these results positively, though
has an effect analogous to that of the inflow condition in better understanding of the causes of the oscillations in
run 8d. cases like run 19 is desirable.
We conclude this section with a discussion of the The Dirichlet condition of runs 25 through 30 gives rise
discretized outflow boundary, where the results raise some to greater difficulties. With piecewise-linear outlet flux,
questions. If we have a flux condition, we solve for runs 25, 27, and 28 oscillate badly within a time step,
U~ +1, U(XE, t*+O . . . . , U[x E, t~+u¢_t], regarding U as and run 26 does the same across multiple steps. The finely
piecewise-linear. With Dirichlet data, we solve instead discretized runs 29 and 30 yield good results. The situa-
for OU/Ox(x e, t"+l), OU/OX(XE, t*+.) . . . . . OU/Ox[xE, tion with piecewise-constant flux is considerably better,
with all D = 0.1 runs producing reasonable answers. The necessarily' aligned with the characteristics 36. Benque
runs with two time steps (25 and 27) obtain a maximum and Ronat a use the idea of a locally vanishing adjoint to
U~ that is too large, possibly because of the antidiffusive define test functions, although they only consider the
nature of time truncation. Ahead of the peak, run 26 has advective component of the equation. In addition, a domain
a small oscillation in t over multiple time steps. Other- extension concept is used to treat inflow boundaries. It
wise. the results for D = 0.1 are qualitatively and quan- appears that this boundary treatment neglects the spatial
titatively accurate. In run 26d, with D = 0.001, the com- dependence of the effective time step over which diffu-
puted values of U~ had more pronounced oscillations sion acts, as discussed above in the context of general
than those in run 26. and the values were much too large. Eulerian Lagrangian methods. This also fails to give rise
The effects just described appear to arise from forms to a diffusive flux term at the physical boundary, thereby
of ill-conditioning in the discrete equations. If the outlet making enforcement of mass balance difficult in the
flux is peicewise-linear, a vector of alternating + l's and general advection-diffusion case. Later applications of the
- l's ahnost solves the associated homogeneous equations: method of Benque and Ronat (for example by
only in the first and last equations, which receive infor- Hervouet -~t) continue to focus only on advective trans-
mation fi'om the values at t"-~ and t", respectively, does port and therefore do not treat the general problem that
it fail. This vector corresponds to a net flux of zero from we have considered herein.
each boundary element, so it presents no problem in the Treatment of boundary conditions in other characteristic
piecewise-constant equations. The trouble with D = 0.001 methods can also be compared to ELLAM, insofar as the
is that the matrix entries for Dirichlet outflow elements other treatments can be interpreted. It appears that most
contain a factor of D. while the right-hand side involves methods are restricted to first-type inflow conditions, using
the difference between the Dirichlet data and the the boundary value at the characteristic intersection of the
approaching numerical solution, raising the possibility of boundary. No account it taken of the fact that the effec-
a numerical boundary layer in time at the outlet. Artifices tive time step is less than At (t ''÷~ - t * in Section 4),
such as temporal "upwinding" at the outflow boundary and except in the work of Douglas et al. ~-°, in which the
imposition of Dirichlet data via penalties may be necessary x-dependence at At is included. Neuman 38 and Neuman
to resolve these questions. The discretized outflow boun- and Sorek > present explicit procedures for incorporating
dary will be addressed more thoroughly in future work. boundary conditions into their split equations, but the
resulting equations do not appear to possess the conser-
vative property. The ELLAM formulation, which is based
on systematic space-time integration, appears to be the
8. DISCUSSION AND EXTENSIONS approach that is closest to the physical origins of the
The ELLAM approximations presented above provide a differential equation; individual terms can be interpreted
systematic framework for development of characteristic as interior changes in mass, boundary fluxes, and exter-
methods (CM's) for numerical approximation ofadvective- nal sources/sinks. All boundary conditions are naturally
diffusive transport equations. The LAM philosophy leads accommodated, in particular flux conditions. This
naturally to the definition of special space-time test func- systematic treatment of boundary conditions, which gives
tions that produce the generalized CM approximations. rise to a conservative numerical approximation, appears
The resulting set of approximating equations subsumes to be the first complete treatment of boundary conditions
many of the CM approximations proposed in the literature. for Eulerian-Lagrangian methods.
It therefore unifies these sometimes diverse methods. In There are many extensions that may be contemplated
addition, the development inherently provides a systematic for the LAM algorithms. For example, application of the
procedure for proper incorporation of all types of boun- procedures to transport problems in multiple spatial dimen-
dary conditions in a mass-conservative scheme. sions may be accomplished by using the same order-of-
Most previous work is based on the operator splitting derivative splitting concepts introduced above for the
concept inherent in ELM or MMOC. This is distinct from adjoint operator solutions. This leads to solutions (test
ELAM, which is based on a space-time finite element con- functions) that follow the multidimensional characteristic
cept. We are aware of several other uses of space-time curves in space-time, while simultaneously satisfying the
finite elements for advection-diffusion transport, including diffusive part of the operator. The latter (diffusion) solu-
the finite element method incorporating characteristics tion might naturally use the tensor product functions
(FEMIC) of Varoglu and Finn aT, the streamline diffu- employed by Celia et al. ~2. The resulting space-time
sion (SD) method of Brooks and Hughes;, and a ELLAM equations would be analogous to the one-
characteristic finite element method reported in Benque dimensional equations, including implementation of boun-
and Ronat a. FEMIC uses test functions that are dary conditions.
analogous to ELLAM in that the space-time elements align Development of higher-order approximations might
with the characteristics. However, FEMIC uses forward proceed along several lines. First, higher-order estimates
tracking, which gives rise to the usual difficulties of can be used to approximate the line integrals that appear
distorted grids, while ELLAM uses backward tracking. in the LAM equations. This may be achieved, for example,
In addition, the treatment of boundary conditions in by using high order interpolates for the function u(x, tn),
FEMIC employs one triangular space-time element at the many forms of which have been investigated by
boundary, which effectively limits the Courant number Baptista 3. Similarly, higher-order interpolates may be
to be of order 1. ELLAM has no such restrictions. Overall, used for u(x, t"+~), as well as the values of u along the
the ELLAM approach to boundary condition implemen- characteristics. A second approach might be to use test
tation is much more general than FEMIC. The SD scheme functions that are higher-order polynomials (higher than
is based on the addition of an optimal amount of artificial linear). While this is possible, it is somewhat contrary
diffusion. In addition, the space-time elements are not to the spirit of the LAM development in that the test func-
tions may no longer satisfy the homogeneous adjoint These concepts have already been used with some suc-
operator. Examination of equation (8) reveals that the cess by Espedal and Ewing :t and by Dahle et al. ~5.~6.
interior integrations involving £ * w would then need to Analogous arguments apply for ELLAM approximations
be evaluated, since £*w ~ 0. This is computationally to nonlinear equations. The choice of linearization method
straightforward, so that implementation of this option is will be important, as it is for all numerical approxima-
computationally viable. The relative merits of these and tions to nonlinear equations. However, once a lineariza-
other options remain to be fully explored. tion has been applied, the resulting equation is analogous
ELLAM developments for reactive transport problems to a nonconstant-coefficient problem. The discussions
may also be derived. If equation (1) is modified to include presented above are therefore directly pertinent for
a first order reaction term, viz. ELLAM approximations to nonlinear equations. In addi-
tion, recent experience in aplication of MMOC to
0u 0u 0:u nonlinear equations (see, for example, Refs 16 and 21)
--+ V---D +ku=f(x, t), provides a basis for ELLAM derivations. We are currently
Ot Ox Ox'-
investigating ELLAM approximations for several
then treatment of the reaction term in the adjoint solution nonlinear problems.
becomes necessary. In the context of ELLAM, the term
Ku may be included with the first order terms or it may
be included with the diffusive term. If included with the
diffusive term, then the spatial part of the solution will 9. CONCLUSION
be modified to satisfy the equation This paper has presented a space-time localized adjoint
method (LAM) approximation for the advection-diffusion
D d"W_Kw=O transport equation. The formulation is based on a space-
ckr'- time discretization in which specialized test functions are
defined. These functions locally satisfy the homogeneous
so that w = [+(K/D)~/'-x]. The advective portion
adjoint equation within each element. The formulation
remains unchanged. Conversely, inclusion of the reac-
leads to a general approximation that subsumes many
tion term with the first order terms requires the test func-
specific methods based on combined Lagrangian and
tion to satisfy Eulerian approaches, so-called characteristic methods
0w Ow (CM's). We refer to this method as an Eulerian-
-- + V - K w = O, Lagrangian localized adjoint method (ELLAM). The
at Ox ELLAM approach not only provides a unification of CM
methods, but also provides a systematic framework for
which leads to a solution that changes exponentially along
the characteristics. We expect that the latter approach will incorporation of boundary conditions in CM approxima-
tions. Any type of boundary conditions can be accom-
provide the better approximation, although this remains
modated, and the resulting ELLAM equations are
to be explored.
demonstrably mass conservative. This appears to be the
Finally, we recognize that ELLAM will not develop
first complete treatment of boundary conditions in
into a general tool unless the case of variable coefficients
Eulerian-Lagrangian Methods that leads to a conservative
is adequately addressed. We are in the initial stages of
scheme for the general transport equation.
investigation, and offer the following observations. One
Example calculations were presented to demonstrate that
of the significant problems in solving variable coefficient
the ELLAM procedure can in fact handle all types of boun-
equations is accurate backtracking along characteristics.
dary conditions. Inflow boundary conditions were easily
This problem is common to all ELM and MMOC methods,
handled, but a few of the test cases indicate that additional
so that ELLAM can build upon the experiences reported
analysis is required to fully understand the treatment of
in the literature (e.g., Refs 3 and 45). However, we feel
that LAM procedures can offer additional advantages in outflow boundaries. The ELLAM approach appears to
have enormous potential in that it subsumes ELM and
that ideas from ELLAM can be combined with earlier
MMOC formulations, and can therefore draw on the vast
Eulerian developments based on LAM, namely the optimal
test function (OTF) concepts of Celia et al. 12.13. For experiences reported using these metods to formulate
example, the advection term may be broken into two parts, approximations. However, it opens many new possibilities
by providing a systematic treatment of the entire space-
one of which is an 'average' velocity over [t", t"+l], the
time equation. While much remains to be done, it appears
other being the deviation from this average. The average
advection term could be treated using ELLAM, with the that extensions such as incorporation of reaction terms
remaining velocity component incorporated into the spatial and treatment of nonconstant coefficients fit naturally into
(diffusive) part of the test function, thereby imparting a the formulation. In addition, combination of the ELLAM
directional spatial bias to the test functions. In this way, concepts with the optimal test function (OTF) method may
simpler backtracking techniques can be employed, based offer further advantages in solving complex transport
equations.
on the average value of velocity, with the spatial asym-
metry in the test function acting as a corrector for the less
accurate tracking. An important advantage of this approach
is that the residual advection would remain as part of the
Eulerian equations, so that inaccuracies in tracking would AC KNOWLEDGEMENTS
not result in failure to conserve mass. Similar techniques, This work was supported in part by the National Science
involving spatial asymmetries in the test function, can also Foundation under Grants 8657419-CES and
be used to deal with nonconstant diffusion coefficients. DMS-8821330, by the Institute for Scientific Computing
through NSF Grant No. RII-8610680, and by the nonlinear parabolic problems in two space variables. Comp. Meth.
Environmental Protection Agency under Assistance Agree- Appl. Mech. En~ng., 1986. 55, 6 3 - 8 7
19 Douglas, J. Jr. and Russell. T. F. Numerical methods for convection-
ment CR 814945 to Princeton University. The authors dominated diffusion problems based on combining the method of
gratefully acknowledge the assistance of Simon Zisman characteristics with finite element or finite difference procedures,
in p r e p a r i n g t h e m a n u s c r i p t . SL4M J. Num. Anal.. 1982. 19, 871-885
A l t h o u g h t h e r e s e a r c h d e s c r i b e d in t h i s a r t i c l e h a s b e e n 20 Douglas. J. Jr., Maruriez-Gamba. and Squeff, M. C. J. Simulation
of the transient behaviour of a one-dimensional semiconductor device,
f u n d e d in p a r t b y t h e U . S . E n v i r o n m e n t a l Protection
Mat. Aplic. Comp., 1986. ~, 103-122
A g e n c y , it h a s n o t b e e n s u b j e c t e d t o A g e n c y r e v i e w a n d 21 Espedal. M. S. and Ewing. R. E. Characteristic Petrov-Galerkin sub-
therefore does not necessarily reflect the views of the domain methods tbr two-phase immiscible flow, Comp. Meth. Appl.
Agency and no official endorsement should be inferred. Mech. Engng.. 1987. 64, 113-135
22 Ewing. R. E. and Russell. T. F. Multistep Galerkin methods along
characteristics tbr convection-diffusion problen'ts, Advances in Com-
puter Methods jbr Partial Differential Equations IV, Vichnevetsky
and StepIeman, (eds.) [MACS, Rutgers Univ.. 1981. 2 8 - 3 6
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APPENDIX
Case 2: wT+t(x, t), 1 <_ i <_ Nc (Note: I f N c = 0 or I, no
This appendix presents the ELLAM approximating equa- equations are written)•
tions for the case of general Courant number. Let
Cu----(V(At)/Ar) denote the Courant number, with
Nc <_ Cu < Nc + 1, Nc integer. Let constant spacing be
assumed, so that X i = i(Ar). Also let ft., = [0, l ] , with •
I
' ~'" tl(X, [~r-II, v n + l / ix. t "-~) dx
.L ;
(See Section 5). Only equations associated with test func- ....
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~r U(0, t) dt
_ DI -1 ~' .... dt
- i u(0, t) dt
t,-I
4~
II
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+ ~ i + I .= I I + -F I I + I
3
~i-- ~l ~ . . . . , / .
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I I
p., 3
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+ B
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+
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f
+ z ¢ ~
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+ *_ + A
c. = =
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,,,,, O
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II
v