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Imex and operator splitting methods — Examples

1 · Prerequisites

2 · Summary

The companion gives a scalar stiff-decay comparison, exact ARS modal factors for a two-cell reaction-diffusion grid, and concrete noncommuting matrices whose Lie and Strang local defects have nonzero leading terms. A two-level finite-matrix Schrödinger split preserves the Euclidean norm in every exact subflow and composition. The Dirichlet modal example proves a two-sided h5/4 fixed-time error for its stated sequence-space model.

The examples are finite-dimensional or explicitly diagonal sequence-space calculations. They do not extend scalar absolute stability to nonnormal matrices, or establish a general unbounded-PDE splitting theorem.

3 · Logical flowchart

4 · Definitions, theorems and proofs

None yet.

5 · Examples, counterexamples and false statements

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An explicitly treated stiff decay mode is unstable for a large step

Example

Take the scalar decay equation y′=−κy with κ>0 and y0=1. Treat the whole stiff term explicitly, so a(y)=−κy and b(y)=0. IMEX Euler gives amplification 1−hκ; for hκ>2 its magnitude exceeds one although the exact solution exp⁡(−κt) decays. If instead this same term is implicit, the amplification is (1+hκ)−1, which lies in (0,1) for every hκ>0. This scalar comparison does not imply matrix stability for nonnormal operators.

Facts & Assumptions

Given: κ>0, h>0, and y0=1.

[F1]

One-step IMEX Euler with an implicit branch and residual status: the exact-step equation is Y=y+ha(y)+hb(Y).

[F2]

The real exponential function and the number e by a power series, The exponential function is smooth and (exp⁡)′=exp⁡, and The chain rule for total derivatives: D(g∘f)(a)=Dg(f(a))∘Df(a): exp⁡(x) is differentiable with derivative exp⁡(x), so y(t)=exp⁡(−κt) solves y′=−κy and y(0)=1.

[F4]

Inverses of positives are positive, and reciprocation reverses order: if 0<a<b, then 0<b−1<a−1.

Verification

technique · direct
1.1givenF1F2F3algebra

With a(y)=−κy and b=0, [F1] gives Y=(1−hκ)y, so after N steps the numerical value is (1−hκ)N. If hκ>2, then 1−hκ<−1 and ∣1−hκ∣N>1 for every N≥1. By [F2], y(t)=exp⁡(−κt) is the exact solution, and [F3] gives ∣y(Nh)∣=exp⁡(−κNh)<1.

1.2F1F4algebra

With a=0 and b(y)=−κy, the equation in [F1] becomes (1+hκ)Y=y. Since 0<1<1+hκ, [F4] gives 0<(1+hκ)−1<1. Thus the implicit treatment damps every such scalar step, while the explicit treatment grows whenever hκ>2.

2.1F1algebra∎

At the boundary hκ=2, the explicit amplification is −1, whose magnitude is exactly one. Thus the strict instability condition is hκ>2; equality is neutral for this scalar test equation.

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Noncommuting two-by-two matrices distinguish Lie and Strang local errors

Example

On R2, let a(x)=Ax and b(x)=Bx, where A=(0100),B=(0010). The fields are smooth and their exact flows exist globally. With the bracket convention in Lie and Strang compositions of exact split flows, the Lie split has a nonzero h2 local defect and the symmetric Strang split has a nonzero h3 local defect at x=e1=(1,0)T.

Facts & Assumptions

Given: The two matrices and the corresponding linear vector fields on R2.

[F1]

Lie and Strang compositions of exact split flows: for linear fields a(x)=Ax, b(x)=Bx, the bracket is [a,b](x)=(BA−AB)x.

[F2]

Lie and Strang splitting errors have commutator expansions: the Lie defect is 12h2[a,b](x)+O(h3) and the Strang defect has leading coefficient −124[a,[a,b]](x)−112[b,[a,b]](x) at order h3.

[F3]

Rectangular matrix multiplication and the identity matrix In, including zero-sized shapes: matrix products are computed by row-by-column multiplication.

[F4]

The exponential series of a bounded operator: every finite matrix M has an everywhere-defined exponential etM with e0=I and derivative MetM, so its linear ODE flow exists for all real t.

Proof

1.1F1F3F4algebra

By [F4], the linear fields have global exact flows. Direct multiplication gives BA=(0001),AB=(1000),C:=BA−AB=(−1001). By [F1], [a,b](x)=Cx.

2.1F1F3step 1.1algebra

Multiplying once more gives CA−AC=(0−200),CB−BC=(0020). These are the matrices of [a,[a,b]] and [b,[a,b]] under the same convention.

2.2F2step 1.1algebra

At e1, Ce1=−e1≠0, so [F2] gives Lie local defect −12h2e1+O(h3), whose leading coefficient is nonzero. Thus its local error has exact order two.

3.1F2step 2.1algebra∎

The Strang leading matrix from step 2.1 is −124(CA−AC)−112(CB−BC)=(01/12−1/60). It sends e1 to (0,−1/6)T≠0, so [F2] gives a nonzero cubic leading local defect and exact local order three.

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A finite-matrix Schrödinger split preserves norm

Example

Realify C2 as R4 and let HK=(0001),V=(0110),A=−iHK,B=−iV. Here HK is a two-level kinetic matrix and V is a Hermitian potential coupling. The finite-dimensional Schrödinger equation is ψ′=(A+B)ψ=−i(HK+V)ψ. Each exact kinetic or potential subflow preserves the Euclidean norm, so every exact Lie or Strang composition does as well. The local errors are nonzero for suitable initial data because the two generators do not commute; no spatial PDE or unbounded-operator conclusion is claimed.

Facts & Assumptions

Given: The matrices HK,V,A,B and a differentiable solution ψ(t)∈C2 of the total or split Schrödinger equation.

[F1]

Lie and Strang compositions of exact split flows: Lie and Strang maps are compositions of the exact flows of the two component fields, and their bracket is [a,b]=Db a−Da b.

[F2]

Lie and Strang splitting errors have commutator expansions: the leading Lie defect is 12h2[a,b], and the Strang defect has the stated cubic double-bracket coefficient.

[F5]

Rectangular matrix multiplication and the identity matrix In, including zero-sized shapes: matrix products have their standard associative coordinate meaning.

[F7]

The exponential series of a bounded operator: a finite matrix exponential is defined for every real time, equals I at zero, and has derivative AetA.

[A1]

HK∗=HK and V∗=V, as direct conjugate-transpose calculation verifies.

Proof

1.1A1F3F4F5F6F7algebra

Let H be any of HK, V, or HK+V. Its exact flow exists for all real time by [F7], and every solution obeys ψ′=−iHψ. By [F3]–[F6], differentiating the real function ψ∗ψ gives ddt(ψ∗ψ)=(ψ′)∗ψ+ψ∗ψ′=iψ∗H∗ψ−iψ∗Hψ=0, where [A1] supplies H∗=H. Therefore [F6] makes ∥ψ(t)∥22 constant on every admitted interval, and each exact subflow and the total flow preserve norm.

1.2A1F1F5algebra

Direct multiplication gives C:=BA−AB=HKV−VHK=(0−110)≠0. This is the linear matrix of [a,b] by [F1]. Also CA−AC=i(0110),CB−BC=2i(100−1).

2.1F1step 1.1

By [F1], a Lie or Strang step is a composition of exact component flows. Each factor preserves norm by step 1.1, so the composition preserves norm by repeated application of the same equality.

3.1F2step 1.2algebra∎

For ψ=e1, the Lie coefficient 12Cψ is nonzero. The Strang coefficient −124(CA−AC)ψ−112(CB−BC)ψ is also nonzero, since its first coordinate is −i/6. Applying [F2] shows the exact subflows retain norm while the Lie and Strang maps have their respective nonzero local splitting defects.

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Boundary-incompatible forcing reduces Strang order to five quarters in a Dirichlet modal model

Example

Use the sequence-space Dirichlet heat model in Diagonal Dirichlet sine-mode heat model with constant forcing with zero initial state and forcing coefficients gk=1/k for odd k, zero for even k. The generator-domain and boundary mismatch are certified by The diagonal heat semigroup has the stated generator domain and Constant Dirichlet forcing is square summable but outside the heat-generator domain. At a fixed time T>0, the exact coordinatewise solution and the Strang approximation with N=T/h steps satisfy cTh5/4≤∥u~N−u(T)∥ℓ2≤CTh5/4 for all sufficiently small h=T/N, with constants cT,CT>0. This is a rigorously specified modal example of boundary-induced order reduction. It is not a convergence theorem for general unbounded PDE operators.

Facts & Assumptions

Given: The sequence-space model, fixed T>0, zero initial state, and uniform step h=T/N.

[F1]

Diagonal Dirichlet sine-mode heat model with constant forcing: A acts by (Au)k=−k2uk, gk=1/k on odd modes and 0 on even modes, Etu=(exp⁡(−k2t)uk)k, and Sh=Eh/2BhEh/2.

[F2]

The diagonal heat semigroup has the stated generator domain: Et is a strongly continuous contraction semigroup whose generator domain is {u:∑k4∣uk∣2<∞}.

[F3]

Constant Dirichlet forcing is square summable but outside the heat-generator domain: the constant forcing has these coefficients, lies in ℓ2, and is outside the heat-generator domain because it fails the homogeneous Dirichlet boundary condition.

[F4]

The p-series for a real exponent p converges exactly when p is greater than one: ∑k≥1k−p converges for p>1.

[F7]

Multivariable Taylor formula with a Lagrange remainder along a line segment: the exponential has a degree-two Taylor expansion with a cubic remainder on a bounded interval.

[F9]

Real powers for positive bases, with the zero-base positive-exponent convention, The exponent, product, quotient, and iterated-power laws for positive real bases and real exponents, and The exponential is positive and satisfies exp⁡(−x)=1/exp⁡(x): for h>0, h1/2>0 and (h1/2)2=h, so uniqueness of square roots gives h1/2=h. The power laws then give H=h−1/2, H−5=h5/2, and h5/2=h5/4.

Proof

1.1F1F4F5algebra

For each mode, solving uk′=−k2uk+gk, uk(0)=0, gives uk(t)=gkk2(1−exp⁡(−k2t)). Differentiating verifies the equation and initial value. Also ∣uk(t)∣≤∣gk∣/k2≤k−3, so [F4] shows the reference state belongs to ℓ2 for every t≥0.

1.2F1F5algebra

Put x=k2h. By [F1], each Strang coordinate obeys u~n+1,k=exp⁡(−x)u~n,k+hexp⁡(−x/2)gk. Starting from zero and summing this scalar recurrence gives u~N,k=hexp⁡(−x/2)1−exp⁡(−Nx)1−exp⁡(−x)gk, where the finite geometric identity follows by multiplying the sum by 1−exp⁡(−x); the denominator is positive because x>0 and the exponential is strictly increasing.

1.3F5F6F7algebra

Define σ(x):=exp⁡(x/2)−exp⁡(−x/2) for real x, and q(x):=1−x/σ(x) for x>0. For x>0, σ′(x)=12(exp⁡(x/2)+exp⁡(−x/2))>1, because exp⁡(x/2)+exp⁡(−x/2)−2=(exp⁡(x/4)−exp⁡(−x/4))2>0. Thus [F6] gives σ(x)>x, so 0<q(x)<1. Direct differentiation gives σ(0)=0, σ′(0)=1, and σ′′(0)=0; [F7] therefore gives σ(x)=x+O(x3) on 0<x≤1. Hence q(x)=(σ(x)−x)/σ(x)≤Cx2 there.

2.1F2F3step 1.1

By [F2] and [F3], this constant Dirichlet forcing is outside the generator domain and has nonzero boundary value while the sine modes vanish at both endpoints. The modal comparison below therefore concerns the boundary-incompatible data identified in the Statement.

2.2F1step 1.1step 1.2step 1.3algebra

Since Nx=k2T, the identity hexp⁡(−x/2)1−exp⁡(−x)=1k2xexp⁡(x/2)−exp⁡(−x/2) turns the numerical value into the exact modal value times x/σ(x). Therefore for odd k, ∣u~N,k−uk(T)∣=k−3(1−exp⁡(−k2T))q(k2h), and the error is zero for even k.

2.3F5F6step 1.3algebra

The quotient σ(x)/x is increasing for x>0: its derivative has numerator p(x)=xσ′(x)−σ(x), with p(0)=0 and p′(x)=xσ′′(x)=xσ(x)/4>0. Therefore x/σ(x) decreases and q increases. In particular q(x)≥q(1)>0 on 1≤x≤4.

3.1F4F8F9step 2.2step 1.3algebra

For sufficiently small h≤1, set H:=1/h; [F8] gives H≥1. For odd k≤H, steps 2.2 and 1.3 give ∣u~N,k−uk(T)∣≤Ch2k. The sum of their squared errors is at most Ch4H3=Ch5/2. For k>H, use q<1 and 1−exp⁡(−k2T)<1; dyadic blocks [2jH,2j+1H) contain at most 2j+1H integers and contribute at most 2j+1H(2jH)−6. Summing the geometric series gives a tail at most CH−5=Ch5/2. Thus the squared ℓ2 error is at most CTh5/2.

4.1F5F8F9step 2.3step 3.1algebra∎

Choose h sufficiently small that h≤1/64 and h≤T. Then h≤1/8 by [F8], so H≥8. The interval [H,2H] contains at least H−1 integers, and among any m consecutive integers at least (m−1)/2 are odd; hence it contains at least H/4 odd integers. For each such k, 1≤k2h≤4, k−6≥(2H)−6, q(k2h)≥q(1) by step 2.3, and 1−exp⁡(−k2T)≥1−exp⁡(−T/h)>1/2 since T/h≥1 and e=1+1+∑n≥21/n!>2. Therefore the sum of squared errors over these modes is at least H4 (2H)−6 q(1)24=cH−5=ch5/2 for a constant c>0. Taking square roots of the upper bound in step 3.1 and this lower bound, then using [F9], proves the claimed two-sided h5/4 error rate.

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ARS(2,2,2) amplification on a two-cell reaction-diffusion grid

Example

Consider the two-cell no-flux graph diffusion matrix L=(−111−1) and the linear reaction-diffusion semidiscretization y′=ρy+DLy with reaction rate ρ=1, diffusion coefficient D=10. Treat reaction explicitly and diffusion implicitly in The ARS(2,2,2) additive tableau and its three stages. The constant mode has amplification 221/200>1, matching its reaction growth. With step h=1/10, the nonconstant mode has amplification R(1/10,−2)=661/200−(11/5)211−62, which lies strictly between 0 and 9/80. This is a two-mode scalar calculation for a finite grid; it makes no nonnormal-matrix or PDE stability assertion.

Facts & Assumptions

Given: The matrix L, reaction rate, diffusion coefficient, step size, and the ARS(2,2,2) tableau.

[F1]

The ARS(2,2,2) additive tableau and its three stages: the explicit component is evaluated in the explicit tableau and the diffusion component is solved in the diagonally implicit tableau.

[F2]

The ARS(2,2,2) bivariate scalar stability function: for scalar eigenvalues za,zb with 1−γzb≠0, the ARS amplification is the stated rational function R(za,zb).

[F3]

The ARS(2,2,2) coefficients satisfy the coupled second-order identities: γ=1−1/2, 1−2γ=2−1, and 1/2−γ2=2−1.

[F4]

Rectangular matrix multiplication and the identity matrix In, including zero-sized shapes: matrix multiplication is evaluated entrywise by row-by-column multiplication.

Proof

1.1F4algebra

Direct multiplication gives Lv0=0 for v0=(1,1)T and Lv1=−2v1 for v1=(1,−1)T. These vectors are linearly independent, so they form a basis of R2 and diagonalize both a(y)=y and b(y)=10Ly.

2.1F1F2F3step 1.1algebra

On each span Rvj, every stage equation in [F1] remains in that span. The implicit denominators are 1 on v0 and 1+20γh>0 on v1, so the stage solves are unique there. Hence [F2] applies with za=h and zb=0 or zb=−20h, respectively.

3.1F2step 2.1algebra

For v0 and h=1/10, zb=0, so [F2] gives R(1/10,0)=1+110+1200=221200>1. This mode grows under the positive reaction term.

4.1F2F3F5step 2.1algebra∎

For v1, zb=−2. Substituting [F3] into [F2] gives the displayed fraction, with denominator (1+2γ)2=(3−2)2=11−62. By [F5], 7/5<2<3/2: squaring the positive endpoints gives 49/25<2<9/4. Thus the numerator is greater than 1/200 and less than 9/40, while the denominator is greater than 2. Consequently 0<R(1/10,−2)<9/80<1.

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