JournalofComputationalPhysics190(2003)623–650 www.elsevier.com/locate/jcp A spectral element semi-Lagrangian (SESL) method for the spherical shallow water equations F.X. Giraldo a,*, J.B. Perot b, P.F. Fischer c aNavalResearchLaboratory,Monterey,CA93943,USA bUniversityofMassachusetts,Amherst,MA01003,USA cArgonneNationalLaboratory,Argonne,IL60439,USA Received29September2001;receivedinrevisedform23April2003;accepted27May2003 Abstract Aspectralelementsemi-Lagrangian(SESL)methodfortheshallowwaterequationsonthesphereispresented.The sphere is discretized using a hexahedral grid although any grid imaginable can be used as long as it is comprised of quadrilaterals. The equationsare written in Cartesian coordinates to eliminatethe pole singularitywhich plaguesthe equationsinsphericalcoordinates.Inapreviouspaper[Int.J.Numer.MethodsFluids35(2001)869]weshowedhow to construct an explicit Eulerian spectral element (SE) model on the sphere; we now extend this work to a semi-La- grangianformulation.ThenoveltyoftheLagrangianformulationpresentedisthatthehighorderSEbasisfunctions are used as the interpolation functions for evaluating the values at the Lagrangian departure points. This makes the method not only high order accurate but quite general and thus applicable to unstructured grids and portable to distributed memory computers. The equations are discretized fully implicitly in time in order to avoid having to in- terpolatederivativesatdeparturepoints.ByincorporatingtheCoriolistermsintotheLagrangianderivative,theblock LUdecompositionoftheequationsresultsinasymmetricpositive-definitepseudo-Helmholtzoperatorwhichwesolve using the generalized minimum residual method (GMRES) with a fast projection method [Comput. Methods Appl. Mech. Eng. 163 (1998) 193]. Results for eight test cases are presented to confirm the accuracy and stability of the method. These results show that SESL yields the same accuracy as an Eulerian spectral element semi-implicit (SESI) whileallowing for time-steps 10timesas large andbeing upto 70%moreefficient. (cid:1) 2003Elsevier Science B.V. Allrightsreserved. Keywords: Cubic gnomonic; Flux-corrected transport; Hexahedral grid; Shallow water equations; Semi-Lagrangian; Semi-implicit; Spectralelementmethod;Sphericalgeometry 1. Introduction In [9] a method obtained by fusing the the spectral element method with the semi-Lagrangian method was introduced and applied to the advection–diffusion equation. A stability analysis revealed that this *Correspondingauthor. E-mailaddress:[email protected](F.X.Giraldo). 0021-9991/$-seefrontmatter (cid:1) 2003ElsevierScienceB.V.Allrightsreserved. doi:10.1016/S0021-9991(03)00300-0 Report Documentation Page Form Approved OMB No. 0704-0188 Public reporting burden for the collection of information is estimated to average 1 hour per response, including the time for reviewing instructions, searching existing data sources, gathering and maintaining the data needed, and completing and reviewing the collection of information. Send comments regarding this burden estimate or any other aspect of this collection of information, including suggestions for reducing this burden, to Washington Headquarters Services, Directorate for Information Operations and Reports, 1215 Jefferson Davis Highway, Suite 1204, Arlington VA 22202-4302. Respondents should be aware that notwithstanding any other provision of law, no person shall be subject to a penalty for failing to comply with a collection of information if it does not display a currently valid OMB control number. 1. REPORT DATE 3. DATES COVERED APR 2003 2. REPORT TYPE 00-00-2003 to 00-00-2003 4. TITLE AND SUBTITLE 5a. CONTRACT NUMBER A spectral element semi-Lagrangian (SESL) method for the spherical 5b. GRANT NUMBER shallow water equations 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) 5d. PROJECT NUMBER 5e. TASK NUMBER 5f. WORK UNIT NUMBER 7. PERFORMING ORGANIZATION NAME(S) AND ADDRESS(ES) 8. PERFORMING ORGANIZATION Naval Research Laboratory,Monterey,CA,93943 REPORT NUMBER 9. SPONSORING/MONITORING AGENCY NAME(S) AND ADDRESS(ES) 10. SPONSOR/MONITOR’S ACRONYM(S) 11. SPONSOR/MONITOR’S REPORT NUMBER(S) 12. DISTRIBUTION/AVAILABILITY STATEMENT Approved for public release; distribution unlimited 13. SUPPLEMENTARY NOTES 14. ABSTRACT A spectral element semi-Lagrangian (SESL) method for the shallow water equations on the sphere is presented. The sphere is discretized using a hexahedral grid although any grid imaginable can be used as long as it is comprised of quadrilaterals. The equations are written in Cartesian coordinates to eliminate the pole singularity which plagues the equations in spherical coordinates. In a previous paper [Int. J. Numer. Methods Fluids 35 (2001) 869] we showed how to construct an explicit Eulerian spectral element (SE) model on the sphere; we now extend this work to a semi-Lagrangian formulation. The novelty of the Lagrangian formulation presented is that the high order SE basis functions are used as the interpolation functions for evaluating the values at the Lagrangian departure points. This makes the method not only high order accurate but quite general and thus applicable to unstructured grids and portable to distributed memory computers. The equations are discretized fully implicitly in time in order to avoid having to interpolate derivatives at departure points. By incorporating the Coriolis terms into the Lagrangian derivative, the block LU decomposition of the equations results in a symmetric positive-definite pseudo-Helmholtz operator which we solve using the generalized minimum residual method (GMRES) with a fast projection method [Comput. Methods Appl. Mech. Eng. 163 (1998) 193]. Results for eight test cases are presented to confirm the accuracy and stability of the method. These results show that SESL yields the same accuracy as an Eulerian spectral element semi-implicit (SESI) while allowing for time-steps 10 times as large and being up to 70% more efficient. 15. SUBJECT TERMS 16. SECURITY CLASSIFICATION OF: 17. LIMITATION OF 18. NUMBER 19a. NAME OF ABSTRACT OF PAGES RESPONSIBLE PERSON a. REPORT b. ABSTRACT c. THIS PAGE Same as 28 unclassified unclassified unclassified Report (SAR) Standard Form 298 (Rev. 8-98) Prescribed by ANSI Std Z39-18 624 F.X.Giraldoetal./JournalofComputationalPhysics190(2003)623–650 hybrid method yields exponential convergence for increasing basis function order while experiencing nei- therdispersionnordissipationerrors;thatis,providedthatthesolutionissmooth.Inthatwork,however, we only showed results for the 1D and 2D advection–diffusion equations. In a more recent paper [11], we showed how to apply the spectral element method to the shallow water equations on the sphere using Cartesianratherthansphericalcoordinates.Althoughusing Cartesian coordinatesseemscounter-intuitive this coordinate system avoids the singularities at the poles encountered by spherical coordinates. This formulation of the equations is not dependent on the grid as is the case with all currently existing models [15,17,20,32]. In that paper [11] we showed that this approach yields exponential convergence for the shallow water equations; however, in that work the time integration scheme used was an explicit Eulerian method (third order Adams–Bashforth). Although explicit time-integration methods for atmospheric simulations are quite efficient, their main disadvantage is that small time-steps must be observed in order to maintain stability. The reason for this prohibitivelysmalltime-stepisduetothefastmovinggravitywaves.Thesewavesrequireasmalltime-step whileonlycarryingaverysmallpercentofthetotalenergyinthesystem.Inordertoamelioratethisrather stringenttime-steprestriction researchershavetriedvarious approachessuchasusingalargerdifferencing stencilforthegravitywavetermstherebyeffectivelyreducingtheCourantnumber[24,35],anddiscretizing thegravitywavetermsimplicitlyintime[19].Thefirststrategy,thatisusingalargerdifferencingstencilfor the gravity wave terms, is typically done to avoid the inf–sup (Babuska–Brezzi) condition [18] associated with the Stokes problem. However, discretizing the gravity wave terms implicitly in time is a much more effective way of increasing the time-step; this is the approach we follow in this paper. After the gravity wave terms have been successfully discretized the next set of terms responsible for controlling the maximum time-step are the advection terms. In order to use increasingly larger time-steps researchers have turned to Lagrangian methods for treating these recalcitrant terms [26,33]. By rewriting theequationsintermsoftheLagrangianderivativethetroublesomeadvectiontermsareabsorbedintothe Lagrangian derivative. Thus the equations in this form are now discretized in time along characteristics which results in a much more stable numerical method due to the virtual disappearance of the Courant– Friedrichs–Lewy (CFL) condition. We say virtual because any time-step is possible provided that the Lipschitz condition is not violated and that the departure points of the semi-Lagrangian method are computed accurately. In the current paper we combine a semi-Lagrangian method with high order basis functions and extend this hybrid method to the solution of the spherical shallow water equations. Thus we are es- sentially extracting the highlights of our previous papers [9,11] and fusing them into a powerful technique for solving the shallow water equations on the sphere. The allure of this method is that it achieves the same order of accuracy obtained with exponentially high order Eulerian methods [11] while using much larger time-steps. It should be mentioned that this is not the only possible characteristic method. There are other variants that are certainly worth considering especially the characteristic method of Maday et al. [22] which we hope to compare with SESL in future work. In this paper we only consider SESL because it represents the only true characteristic high order method which fuses both space and time into a single formulation. The remainder of this paper is organized as follows. Section 2 describes the governing equations of motion used to test our numerical method. In Section 3 we describe the discretization of the governing equations.Thisincludesthespatialdiscretizationbythespectralelementmethod,thetimediscretizationby thesemi-Lagrangianmethod,andthesolutionoftheresultingimplicitequations.InSection4wedescribe thetessellationofthesphereintoquadrilateralelementswhichareusedtoconstructthediscreteoperators. Finally,inSection5wepresentconvergenceratesofthespectralelementsemi-Lagrangian(SESL)method and compare it with an Eulerian spectral element semi-implicit (SESI) method. This then leads to some conclusions about the feasibility of this approach for constructing future atmospheric models and a dis- cussion on the direction of future work. F.X.Giraldoetal./JournalofComputationalPhysics190(2003)623–650 625 2. Shallow water equations Theshallowwaterequationsareasystemoffirstordernonlinearhyperbolicequationswhichgovernthe motionofaninviscidincompressiblefluidinashallowdepth.Thepredominantfeatureofthistypeoffluid isthatthecharacteristiclengthofthefluidisfargreaterthanitsdepthwhichisanalogoustothemotionof air in the atmosphere. For this reason these equations are typically used as a first step toward the con- structionofeithernumericalweatherprediction(NWP)orclimatemodels;theformertypeofmodelisthe final goal of our research. The spherical shallow water equations in Cartesian advection form are ou þu(cid:1)$uu¼(cid:2)u$(cid:1)u; ð1Þ ot ou 2xz þu(cid:1)$u¼(cid:2) ðx(cid:3)uÞ(cid:2)$ðuþusÞ(cid:2)lx; ð2Þ ot a2 whereuisthegeopotentialheight(u¼gh,wheregisthegravitationalconstantandhistheverticalheight ofthefluid),us isthesurfacetopography(e.g.,mountains),uistheCartesianwindvelocityvectorðu;v;wÞ, and ðx;aÞ represent the rotation of the earth and its radius, respectively. Thetermlx,wherex¼ðx;y;zÞisthepositionvectorofthegridpoints,isafictitiousforceintroducedto constrain the fluid particles to remain on the surface of the sphere. By switching from spherical (2D) to Cartesian (3D) coordinates we have allowed the fluid particles an additional degree of freedom which will manifest itself in the fluid particles flying off the sphere. In order to prevent this from happening we in- troduce the Lagrange multiplier l (see [4]); we address the calculation of this coefficient in Section 3.4. The shallow water equations in Cartesian form have received significant attention recently (see [10–12,16,31]). It should be mentioned that using these equations in Cartesian form on the sphere intro- ducesnoapproximationswhatsoever;theequationsarecompletelyequivalenttotheequationsinspherical coordinates as shown by Swarztrauber et al. [31]. Although the formulation we use in our paper may appear slightly different it can be shown to be identical to that of [16,31]. 3. Discretization Inthis section wedescribethe discretization oftheshallowwaterequations.InSection3.1, wedescribe the spatial discretization by the spectral element method including: the choice of basis functions and the mappingfromphysical3DCartesian spacetothelocal2Dcomputationalspace.InSection3.2wediscuss theimplicittimediscretizationbythesemi-Lagrangianmethodincludingthediscretizationofthetrajectory equation.Inaddition, we describetheinterpolationoperatorsrequiredby thesemi-Lagrangianmethod as wellastheconstructionofmonotoneinterpolationschemes.Finally,inSection3.4wediscussthesolution of the coupled implicit equations. 3.1. Spatial discretization by the spectral element method 3.1.1. Basis functions and integration To define the local operators which shall be used to construct the global approximation of the solution webeginbydecomposingthesphericaldomainXintoN non-overlappingquadrilateralelementssuchthat e [Ne X¼ X : e e¼1 626 F.X.Giraldoetal./JournalofComputationalPhysics190(2003)623–650 Toperformdifferentiationandintegrationoperations,weintroducethenon-singularmappingx¼WðnÞ whichdefinesatransformationfromthephysicalCartesiancoordinatesystemx¼ðx;y;zÞdefinedinX to e the reference coordinate system n¼ðn;g;fÞ defined in each element such that ðn;gÞ lies on the spherical surface; where ðn;gÞ2½(cid:2)1;þ1(cid:4)2 in each element. Associated with the local mapping, W, is the transformation Jacobian, J ¼ox=on, and the determinant ox ox ox jJj¼ (cid:1)G; G ¼ (cid:3) ; of on og where G represents the surface conforming component of the mapping (see [11] for further details). We can now use this mapping to define the local representation of the solution, q¼ðu;uÞ, and the approximationofoperationssuchasdifferentiationandintegration.Forsimplicity,weassumeftobeunity in what remains and denote n¼ðn;gÞ. Thesimplestructureofthereferenceelement,I,spannedbyn2½(cid:2)1;1(cid:4)2,makesitnaturaltorepresentthe local element-wise solution q by an Nth order polynomial in n as ðNþ1Þ2 X q ðxÞ¼ w ðxÞq ðx Þ; N k N k k¼1 where x represents ðN þ1Þ2 grid points and w ðxÞ reflects the associated multivariate Lagrange polyno- k k mial.ThelogicalsquarestructureofIsimplifiesmattersinthatwecanexpresstheLagrangepolynomialby a tensor-product as w ðxÞ¼hðnðxÞÞhðgðxÞÞ; k i j where i;j¼0;...;N. For the grid points ðn;gÞ we choose the Legendre–Gauss–Lobatto (LGL) points, given as the tensor- i j product of the roots of ð1(cid:2)n2ÞP0ðnÞ¼0; N whereP ðnÞistheNthorderLegendrepolynomial.Thischoicesimplifiestheconstructionofthealgorithm N because the LGL points are also used as the sampling points in the Gaussian quadrature rule required by the numerical integration which we shall describe shortly. The one-dimensional Lagrange polynomials, hðnÞ, are i 1 ð1(cid:2)n2ÞP0ðnÞ hðnÞ¼(cid:2) N ; i NðN þ1Þ ðn(cid:2)nÞP ðnÞ i N i and likewise for hðgÞ. j ThechoiceoftheLGLpointsenablesthestraightforwardapproximationoflocalelementintegrals,i.e., Z Z N X qðxÞdx¼ qðnÞJðnÞdn’ xðnÞxðgÞqðn;gÞJðn;gÞ; i j i j i j Xe I i;j¼0 whereJ representsthelocalJacobianforthetransformationbetweenX andI,andxðnÞandxðgÞarethe e i j Gaussian quadrature weights, 2 (cid:1) 1 (cid:2)2 xðnÞ¼ ; i NðN þ1Þ P ðnÞ N i associated with the one-dimensional LGL quadrature. F.X.Giraldoetal./JournalofComputationalPhysics190(2003)623–650 627 To simplify the description of the numerical algorithm, let us define the following local element oper- ators: let Z Me ¼ wðxÞwðxÞdx ij i j Xe represent the mass matrix and Z De ¼ wðxÞ$wðxÞdx ij i j Xe the differentiation matrix where i;j¼1;...;ðN þ1Þ2. Note that D¼ðDx;Dy;DzÞ is a vector of matrices corresponding to the three spatial directions for D. 3.1.2. Satisfying the equations globally To satisfy the equations globally requires assembling the global solution by virtue of an element-wise construction. This element-wise construction is based on the summation of the local element matrices to form their global representation. This summation procedure is known as the global assembly or direct stiffness summation. Let us represent this global assembly procedure by the summation operator ^Ne e¼1 with the mapping ði;eÞ!ðIÞ where i¼1;...;ðN þ1Þ2 are the local element grid points, e¼1;...;N are e thespectralelementscoveringthesphericalshell,andI ¼1;...;N aretheglobalgridpoints.Applyingthe p global assembly operator to the local element matrices results in the following global matrices: ^Ne M ¼ Me e¼1 for the mass matrix and ^Ne D¼ De e¼1 for the differentiation matrix. With these operators defined and by denoting the global grid vector for the grid points as x , the G geopotentialasu ,andthewindvelocity asu wecannowwritethesemi-discreteapproximation toEqs. G G (1) and (2) as follows: ou M GþuTDu ¼(cid:2)u DTu ; ð3Þ ot G G G G (cid:1) (cid:2) MouGþuTDu ¼(cid:2)M 2xzGðx (cid:3)u Þ (cid:2)D(cid:3)u þus (cid:4)(cid:2)Mðlx Þ: ð4Þ ot G G a2 G G G G G Itshouldbenotedthatthemassmatrix,M,isdiagonalandtherebytrivialtoinvert.Thediagonalproperty ofthismatrixisduetothedualroleoftheLGLpointswhichareusedbothasgridpointsandquadrature points. 628 F.X.Giraldoetal./JournalofComputationalPhysics190(2003)623–650 3.2. Time discretization by the semi-Lagrangian method Thetime-steprestrictionoftheshallowwaterequationsisdominatedbytheadvectionandgravitywave p terms.Infact,thecharacteristicwavespeedofthissystemisC ¼U þ ffiuffiffiffi.However,thegravitywaveterm although traveling at far greater speeds than the wind velocity only carries a fraction of the total energy. Thus, explicit time integration schemes must use very small time-steps in order to maintain stability while muchlargervaluescouldbeusedwithoutdiminishingaccuracy.Typically,inordertoenlargethetime-step, semi-implicit schemes [19] have been used whereby the advection and Coriolis terms are discretized ex- plicitly in time while the remaining terms are discretized implicitly. The generalized leapfrog method unþ1(cid:2)un(cid:2)1 ¼(cid:2)ðu(cid:1)$uÞn(cid:2)U(cid:3)h$(cid:1)unþ1þð1(cid:2)hÞ$(cid:1)un(cid:2)1(cid:4); ð5Þ 2Dt unþ1(cid:2)un(cid:2)1 2xz (cid:6) (cid:7) ¼(cid:2)ðu(cid:1)$uÞn(cid:2) ðx(cid:3)uÞn(cid:2) h$ðuþusÞnþ1þð1(cid:2)hÞ$ðuþusÞn(cid:2)1 ð6Þ 2Dt a2 has been the most popular method for constructing semi-implicit algorithms for the shallow water and atmospheric equations (see for example the operational models in [14,17,29,30] and the shallow water modelin[34]).NotethatuhasbeenlinearizedaboutsomemeanstateUinordertoavoidhavingtosolvea nonlinearproblemandwehaveomittedtheLagrangemultiplierforthetimebeing.InEqs.(5)and(6)the parameterhdeterminesthetypeofschemeusedinconjunctionwiththeleapfrogmethodfortheadvection terms. For example, h¼0;1;1 yields the Euler method (explicit), the Crank–Nicholson method (implicit), 2 and the backward Euler method (implicit), respectively. For h¼1 the scheme is second order accurate in 2 time and for all other values it is only first order accurate. Tofurtherenlargethetime-stepwecanincorporatetheadvectiontermsintotheLagrangianderivative; this is the semi-Lagrangian method [26]. Integrating Eqs. (5) and (6) along characteristics results in unþ1(cid:2)uuen(cid:2)1 ¼(cid:2)U(cid:3)h$(cid:1)unþ1þð1(cid:2)hÞ$(cid:1)uun(cid:2)1(cid:4); 2Dt e unþ1(cid:2)uun(cid:2)1 2xzz (cid:6) (cid:7) e ¼(cid:2) eðxx(cid:3)uuÞn(cid:2) h$ðuþusÞnþ1þð1(cid:2)hÞ$ðuuþuusÞn(cid:2)1 ; 2Dt a2 e e e e where it should be understood that the values at times n and n(cid:2)1 are not the values at the Eulerian grid points but rather those at the Lagrangian departure points found by integrating the trajectory equation dx ¼u; ð7Þ dt where the Lagrangian derivative is d o ¼ þu(cid:1)$: dt ot We have marked the variables that need to be interpolated at the departure points with a tilde (~). The statement of the semi-Lagrangian method is: find qqðn;n(cid:2)1Þ using Eq. (7) such that at time nþ1 these e characteristics arrive at the Eulerian grid points (arrival points). Although the Crank–Nicholson method has been the most popular method used with the semi-La- grangianmethoditrequiresthecomputationofnotonlytheprimitivevariablesatthedeparturepointsbut their derivatives as well. This step in the semi-Lagrangian procedure requires a very careful treatment; solvingthesetermsindiscriminatelyresultsinseverelossofconservation.Forthisreason,manyoperational F.X.Giraldoetal./JournalofComputationalPhysics190(2003)623–650 629 NWP models use off-centering, h>1=2, to combat the inaccuracies of computing derivatives at the de- parturepoints.Theproblemwithoff-centeringisthattheschemeisonlyfirstorderaccurate.Modelswhich perform off-centering in either an Eulerian or semi-Lagrangian context include the operational NWP and climate models in [14,17,29,30]. Galerkin methods pose some difficulties for semi-Lagrangian methods. The problem stems from the C0 basisfunctionstypicallyusedinGalerkinmethodswhichtranslatesintothederivativesbeingdiscontinuous acrosselements.Forthisreasonmanysemi-Lagrangianimplementationsconstructtheright-handside(i.e., thetermsthatmustbeevaluatedatthedeparturepoints)atthearrivalpointsandtheninterpolatetheentire right-hand side vector to the departure points. This, however, will conserve neither mass nor energy. This leads us to the following conjecture. Conjecture 1. Semi-Lagrangian methods with C0 basis functions should only be used for homogeneous Lagrangian equations of the type du ¼0: dt However, if there are source terms with derivatives on the right-hand side then they should be either evaluated at arrival points only or Ck basis functions should be used, where k represents the maximum orderofthederivativesinthesystem (k ¼1fortheshallow waterequations).Wereservetheproofofthis conjecture for a future study. The problem with using Ck functions is that the number of unknowns increases from 4 to 16 per grid point due to the first order derivatives that need to be carried. Xiu and Karniadakis [37] also noted some problemswithevaluatingderivativesatthedeparturepointsandthusdecidedtouseabackwarddifference formula (BDF) which gives rise to a fully implicit scheme. Beforediscretizingtheequationsalongthecharacteristicsletuswritetheshallowwaterequationsinthe Lagrangian form which we shall use to solve the equations. Using the idea of Rochas [27] we include the Coriolis term inside the Lagrangian derivative and write the equations as follows: du ¼(cid:2)U$(cid:1)u; ð8Þ dt d ðuþ2xðk(cid:3)xÞÞ¼(cid:2)$ðuþusÞ(cid:2)lx; ð9Þ dt dx ¼u; dt wherek¼ð0;0;1Þistheunitvectorinthez-direction.Wecannowdiscretizetheseequationsusingasecond order BDF to yield unþ1(cid:2)4uunþ1uun(cid:2)1 2 3e 3e ¼(cid:2) U$(cid:1)unþ1; ð10Þ Dt 3 uunþ1(cid:2)4uunþ1uun(cid:2)1 2 b 3b 3b ¼(cid:2) $ðuþusÞnþ1; ð11Þ Dt 3 where uu ¼uþ2xðk(cid:3)xÞ b 630 F.X.Giraldoetal./JournalofComputationalPhysics190(2003)623–650 represents the absolute velocity in an inertial reference frame. Note that Eqs. (10) and (11) do not require the interpolation of derivatives at the departure points; for this reason we have elected to use a BDF. Moving the implicit terms to the left-hand side and the explicit terms to the right-hand side results in 2 unþ1þ DtU$(cid:1)unþ1 ¼bu; ð12Þ 3 2 unþ1þ Dt$unþ1 ¼bu; ð13Þ 3 where the right-hand side vectors are defined as follows: 4 1 bu ¼ uun(cid:2) uun(cid:2)1; ð14Þ 3e 3e 4 1 2 bu ¼ ðuuþ2xðk(cid:3)xxÞÞn(cid:2) ðuuþ2xðk(cid:3)xxÞÞn(cid:2)1(cid:2) Dtð$usÞnþ1(cid:2)2xðk(cid:3)xÞnþ1: ð15Þ 3 e e 3 e e 3 We now describe the computation of the departure point values. 3.2.1. Trajectory equation Inordertoevaluatethevariables qqðn;n(cid:2)1Þ requiretheaccuratecomputationofthedeparturepointswhich e are found from Eq. (7). The simplest second order scheme for discretizing this equation is the two-step Runge–Kutta scheme: Dt xxnþ1=2 ¼xnþ1(cid:2) uðxnþ1;tnþ1Þ; e 2 xxn ¼xnþ1(cid:2)Dtu(cid:3)xxnþ1=2;tnþ1=2(cid:4); e e Dt xxn(cid:2)1=2 ¼xn(cid:2) uðxxn;tnÞ; e 2 e xxn(cid:2)1 ¼xn(cid:2)Dtu(cid:3)xxn(cid:2)1=2;tn(cid:2)1=2(cid:4); e e where the velocity field is extrapolated as follows: uðx;tnþ1Þ¼2uðx;tnÞ(cid:2)uðx;tn(cid:2)1Þ; u(cid:3)x;tnþ1=2(cid:4)¼3uðx;tnÞ(cid:2)1uðx;tn(cid:2)1Þ; 2 2 u(cid:3)x;tn(cid:2)1=2(cid:4)¼1uðx;tnÞþ1uðx;tn(cid:2)1Þ: 2 2 However, we do not have to stop at second order but instead can construct higher order trajectory ap- proximations. For example we can construct the fourth order Runge–Kutta approximation xxn ¼xnþ1(cid:2)Dt(cid:8)u(cid:3)xxð1Þ;tnþ1(cid:4)þ2u(cid:3)xxð2Þ;tnþ1=2(cid:4)þ2u(cid:3)xxð3Þ;tnþ1=2(cid:4)þu(cid:3)xxð4Þ;tn(cid:4)(cid:9); ð16Þ e 6 e e e e