Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by...

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Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion Maximum bound principles for a class of semilinear parabolic equations and ETD schemes Zhonghua Qiao Department of Applied Mathematics, The Hong Kong Polytechnic University Joint work with Qiang Du (COLUMBIA), Lili Ju (USC), Xiao Li (PolyU) Shanghai Jiao Tong University, Shanghai, June 17, 2020

Transcript of Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by...

Page 1: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Maximum bound principles for a class of semilinearparabolic equations and ETD schemes

Zhonghua Qiao

Department of Applied Mathematics,The Hong Kong Polytechnic University

Joint work with

Qiang Du (COLUMBIA), Lili Ju (USC), Xiao Li (PolyU)

Shanghai Jiao Tong University, Shanghai, June 17, 2020

Page 2: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Outline

1 Introduction and motivationMaximum bound principle preserving exponential timedifferencing schemes for the nonlocal Allen-Cahn equation

2 Abstract framework for semilinear parabolic equationsModel equation and its MBPExamplesMBP-preserving ETD schemesExtension

3 Conclusion

Page 3: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Outline

1 Introduction and motivationMaximum bound principle preserving exponential timedifferencing schemes for the nonlocal Allen-Cahn equation

2 Abstract framework for semilinear parabolic equationsModel equation and its MBPExamplesMBP-preserving ETD schemesExtension

3 Conclusion

Page 4: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Allen-Cahn equation

(Local) Allen-Cahn equation:

ut − ε2∆u+ u3 − u = 0. (LAC)

As an L2 gradient flow w.r.t. the free energy functional

Elocal(u) =

∫ (1

4(u(x)2 − 1)2 +

ε2

2|∇u(x)|2

)dx, (1)

energy stability:

Elocal(u(t2)) ≤ Elocal(u(t1)), ∀ t2 ≥ t1 ≥ 0. (2)

As a second order reaction-diffusion equation,

maximum bound principle:

‖u(·, 0)‖L∞ ≤ 1 ⇒ ‖u(·, t)‖L∞ ≤ 1, ∀ t > 0. (3)

Page 5: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Allen-Cahn equation (continued)

Energy stable schemes:

Stabilized semi-implicit (SSI) scheme [Shen-Yang, 2010]:find un+1 such that

un+1 − un

τ−ε2∆hu

n+1+(un)3−un+κ(un+1 − un) = 0. (4)

Exponential time differencing (ETD) scheme [Ju et al., 2015]:find un+1 = w(τ) with w(t) subject to

dw

dt+ (κ− ε2∆h)w + (un)3 − un − κun = 0, t ∈ (0, τ ],

w(0) = un.(5)

Both schemes are easy to implement and conditionally energystable.

Page 6: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Allen-Cahn equation (continued)

F (u) =1

4(u2 − 1)2, f(u) := F ′(u) = u3 − u.

What is the condition for energy stability?

κ ≥ 1

2‖f ′(u)‖L∞ . (6)

However,f ′(u) = 3u2 − 1, unbounded in L∞!

If we have that u is bounded in L∞, then so does f ′(u).

Discrete maximum bound principle insures the L∞ boundedness ofun+1.

Page 7: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Allen-Cahn equation (continued)

F (u) =1

4(u2 − 1)2, f(u) := F ′(u) = u3 − u.

What is the condition for energy stability?

κ ≥ 1

2‖f ′(u)‖L∞ . (6)

However,f ′(u) = 3u2 − 1, unbounded in L∞!

If we have that u is bounded in L∞, then so does f ′(u).

Discrete maximum bound principle insures the L∞ boundedness ofun+1.

Page 8: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Allen-Cahn equation (continued)

Maximum bound principle preserving schemes:

first order semi-implicit scheme [Tang-Yang, 2016]:

un+1 − un

τ−ε2∆hu

n+1 +(un)3−un+κ(un+1−un) = 0 (7)

condition for MBP:1

τ+ κ ≥ 2.

Crank-Nicolson scheme [Hou-Tang-Yang, 2017]:

un+1 − un

τ−ε2∆h

un+1 + un

2+

(un+1)3 + (un)3

2−u

n+1 + un

2= 0

(8)

condition for MBP: τ ≤ 1

2min

1,h2

ε2

.

Page 9: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Cahn-Hilliard equation

(Local) Cahn-Hilliard equation:

ut + ε2∆2u+ ∆(u3 − u) = 0. (LCH)

No maximum bound principle!

Li-Q-Tang, SINUM, 2016Li-Q, JSC, 2017 (IMEX Frouier Spectral)Song-Shu, JSC, 2018 (IMEX LDG)

A clean description on the size of the constant κ, in the sense thatκ is independent of the L∞ bound on the numerical solution.

Page 10: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Nonlocal Allen-Cahn equation

Nonlocal Allen-Cahn (NAC) equation:

ut − ε2Lδu+ u3 − u = 0. (NAC)

As an L2 gradient flow w.r.t. the free energy functional

E(u) =

∫ (1

4(u(x)2 − 1)2 − ε2

2u(x)Lδu(x)

)dx, (9)

energy stability:

E(u(t2)) ≤ E(u(t1)), ∀ t2 ≥ t1 ≥ 0. (10)

Similar to the case of local Allen-Cahn equation, we can prove

maximum bound principle:

‖u(·, 0)‖L∞ ≤ 1 ⇒ ‖u(·, t)‖L∞ ≤ 1, ∀ t > 0. (11)

Page 11: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Nonlocal Allen-Cahn equation (continued)

Nonlocal diffusion operator (x ∈ Rd):

Lδu(x) =1

2

∫Bδ(0)

ρδ(|s|)(u(x+s) +u(x−s)− 2u(x)

)ds. (12)

Kernel ρδ : [0, δ]→ R is nonnegative and

1

2

∫Bδ(0)

|s|2ρδ(|s|) ds = d. (13)

Consistency of Lδ with L0 := ∆ via [Du et al., 2012]

maxx|Lδu(x)− L0u(x)| ≤ Cδ2‖u‖C4 . (14)

In particular, in 1-D case,

Lδu(x) =1

2

∫ δ

−δ|s|2ρδ(|s|)·

u(x+ s) + u(x− s)− 2u(x)

|s|2ds. (15)

Page 12: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Nonlocal Allen-Cahn equation (continued)

Du-Ju-Li-Q, SIAM J. Numer. Anal., 2019.

Consider the initial-boundary-value problem of the NAC equation

ut − ε2Lδu+ u3 − u = 0, x ∈ Ω, t ∈ (0, T ],

u(·, t) is Ω-periodic, t ∈ [0, T ],

u(x, 0) = u0(x), x ∈ Ω,

where Ω = (0, X)d is a hypercube domain in Rd.

Main theoretical results:

discrete maximum bound principle;

maximum-norm error estimates;

discrete energy stability.

Page 13: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Quadrature-based finite difference discretization

Uniform spatial mesh with the nodes xi.

The discretization of Lδ is defined by [Du-Tao-Tian-Yang, 2018]

Lδ,hu(xi) =1

2

∫Bδ(0)

Ih(u(xi + s) + u(xi − s)− 2u(xi)

|s|2|s|1)|s|2

|s|1ρδ(|s|) ds.

(16)

where Ih is the piecewise d-multi-linear interpolation.

The matrix Lδ,h is

symmetric and negative semi-definite;

weakly diagonally dominant with all negative diagonal entries.

Page 14: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Quadrature-based finite difference discretization(continued)

Introduce a stabilizing parameter κ > 0 and define

Lh := −ε2Lδ,h + κI, N(U) := κU + U − U .3. (17)

Then, we reachdU

dt+ LhU = N(U), (18)

whose solution satisfies

U(t+ τ) = e−LhτU(t) +

∫ τ

0e−Lh(τ−s)N(U(t+ s)) ds. (19)

The matrix Lh is

symmetric and positive definite;

strictly diagonally dominant with all positive diagonal entries,

which implies that ‖e−Lhτ‖∞ ≤ e−κτ for any κ, τ > 0.

Page 15: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

ETD methods for the temporal integration

Uniform time step τ and the nodes tn = nτ.

At the time level t = tn, we have

U(tn+1) = e−LhτU(tn) +

∫ τ

0e−Lh(τ−s)N(U(tn + s)) ds. (20)

By

approximating N(U(tn + s)) by N(U(tn)) in s ∈ [0, τ ],

calculating the integral exactly,

we have the first order ETD scheme of (NAC):

Un+1 = e−LhτUn +

∫ τ

0e−Lh(τ−s)N(Un) ds

= e−LhτUn + L−1h (I − e−Lhτ )N(Un).

(ETD1)

Page 16: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

ETD methods for the temporal integration (continued)

At the time level t = tn:

U(tn+1) = e−LhτU(tn) +

∫ τ

0e−Lh(τ−s)N(U(tn + s)) ds. (21)

By

approximating N(U(tn + s)) by a linear interpolation basedon N(U(tn)) and N(U(tn+1)),

we have the second order ETD Runge-Kutta scheme of (NAC):Un+1 = e−LhτUn +

∫ τ

0e−Lh(τ−s)

[(1− s

τ

)N(Un) +

s

τN(Un+1)

]ds,

Un+1 = e−LhτUn +

∫ τ

0e−Lh(τ−s)N(Un) ds.

(ETDRK2)

Page 17: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Discrete maximum principle

For the ETD1 scheme, we prove it by induction:

‖U0‖∞ ≤ ‖u0‖L∞ ≤ 1;

assume ‖Uk‖∞ ≤ 1, prove ‖Uk+1‖∞ ≤ 1.

We have

‖Uk+1‖∞ ≤ ‖e−Lhτ‖∞‖Uk‖∞+

∫ τ

0‖e−Lh(τ−s)‖∞ ds ·‖N(Uk)‖∞.

We can prove

‖e−Lhτ‖∞ ≤ e−κτ for any κ, τ > 0;

‖N(Uk)‖∞ ≤ κ when κ ≥ 2.

Then,

‖Uk+1‖∞ ≤ e−κτ · 1 +1− e−κτ

κ· κ = 1.

Page 18: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Discrete maximum principle (continued)

For the ETDRK2 scheme, we have

‖Uk+1‖∞ ≤ ‖e−Lhτ‖∞‖Uk‖∞

+

∫ τ

0‖e−Lh(τ−s)‖∞

∥∥∥(1− s

τ

)f(Uk) +

s

τf(Uk+1)

∥∥∥∞

ds.

Note that Uk+1 is exactly the solution to ETD1 scheme, so

‖Uk+1‖∞ ≤ 1 ⇒ ‖f(Uk+1)‖∞ ≤ κ.

For s ∈ [0, τ ],∥∥∥(1− s

τ

)f(Uk)+

s

τf(Uk+1)

∥∥∥∞≤(

1− sτ

)‖f(Uk)‖∞+

s

τ‖f(Uk+1)‖∞ ≤ κ.

Then,

‖Uk+1‖∞ ≤ e−κτ · 1 +1− e−κτ

κ· κ = 1.

Page 19: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Discrete energy stability

We define the discretized energy Eh:

Eh(U) =

dN∑i=1

F (Ui)−ε2

2UTLδ,hU, F (s) =

1

4(s2 − 1)2. (22)

Discrete energy stability of the ETD1 scheme

Under the condition κ ≥ 2, for any τ > 0, we have

Eh(Un+1) ≤ Eh(Un).

Page 20: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Energy stability for ETD1

Step 1. We have

F (Un+1)− F (Un) = f(Un)(Un+1 − Un) +1

2f ′(ξ)(Un+1 − Un)2,

where ‖f ′(ξ)‖∞ = ‖3ξ2 − 1‖∞ ≤ 2 since ‖ξ‖∞ ≤ 1 due to DMP.Then, we obtain

Eh(Un+1)− Eh(Un) ≤ (Un+1 − Un)T (LhUn+1 − f(Un)).

Step 2. Solve N(Un) from (ETD1) to get

N(Un) = (I − e−Lhτ )−1Lh(Un+1 − Un) + LhUn,

and then,LhU

n+1 −N(Un) = B1(Un+1 − Un)

with B1 = Lh − (I − e−Lhτ )−1Lh symmetric and negative definite.So,

Eh(Un+1)− Eh(Un) ≤ (Un+1 − Un)TB1(Un+1 − Un) ≤ 0.

Page 21: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Numerical experiments

We consider the 2-D case.

Setting

Ω = (0, 2π)× (0, 2π), ε = 0.1;

kernel: ρδ(r) =6

πδ3r, r > 0;

N = 512, τ = 0.01;

random initial data ranging from −0.9 to 0.9 uniformly;

δ = 0, δ = 3ε, δ = 4ε.

Page 22: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Numerical experiments (continued)

From left to right: δ = 0 (local), δ = 3ε, δ = 4ε.Top: maximum norms; bottom: energies.

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Page 23: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Recall the proof of the discrete maximum principle

The crucial results are

‖e−Lhτ‖∞ ≤ e−κτ for any κ, τ > 0,

(This is the result of the strictly diagonal dominance of Lh.)

and

‖N(U)‖∞ ≤ κ when κ ≥ 2, for any U such that ‖U‖∞ ≤ 1.

(This comes from the property of the function f(u) = u− u3.)

Page 24: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Outline

1 Introduction and motivationMaximum bound principle preserving exponential timedifferencing schemes for the nonlocal Allen-Cahn equation

2 Abstract framework for semilinear parabolic equationsModel equation and its MBPExamplesMBP-preserving ETD schemesExtension

3 Conclusion

Page 25: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Domains

Consider the domain Ω ⊂ Rd in the following two situations.

(D1) space-continuous case:

Ω is an open, connected and bounded set;

∂Ω is the Lipschitz boundary of Ω;

Ωc is a closed connected set disjoint with Ω but ∂Ω ⊂ Ωc;

Ω = Ω ∪ ∂Ω and Ω = Ω ∪ Ωc.

We have Ωc = ∂Ω for classic differential operators and Ωc isusually a nonempty volume for nonlocal integral operators.

(D2) corresponds to a discrete version of (D1).

Page 26: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Banach spaces and operators

Ω∗ = Ω, Ω∗c = ∂Ω, if Ωc = ∂Ω;

Ω∗ = Ω, Ω∗c = Ωc \ ∂Ω, otherwise.

Let X = C(Ω) ∩ Cb(Ω∗c) be the Banach space equipped with

‖w‖ = supx∈Ω

|w(x)|, w ∈ X .

Let

f : Cb(Ω∗)→ Cb(Ω

∗) be a nonlinear operator;

L : D(L)→ Cb(Ω∗) be a linear operator with D(L) ⊂ X ;

L0 = L|D(L0) : D(L0)→ X, where D(L0) ⊂ D(L), X ⊂ X ,both related to boundary conditions.

(C1) Dirichlet boundary condition;(C2) periodic boundary condition.

Page 27: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Model equation

The model problem is a class of semilinear parabolic equations

ut = Lu+ f [u], t > 0, x ∈ Ω∗, (SPE)

where u : [0,∞)× Ω→ R is the unknown function subject to

initial value condition

u(0,x) = u0(x), x ∈ Ω;

for Case (C1): Dirichlet boundary condition

u(t,x) = g(t,x), t ≥ 0, x ∈ Ω∗c

with g ∈ C([0,∞);Cb(Ω∗c)) and g(0, ·) = u0 on Ω∗c ;

for Case (C2): periodic boundary condition with u0 ∈ X.

Page 28: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Linear operators L and L0

Main idea: L should be a generalization of ∆.

Assumption 1

(a) for any w ∈ D(L) and x0 ∈ Ω∗,

w(x0) = supx∈Ω

w(x) ⇒ Lw(x0) ≤ 0;

(b) the domain D(L0) is dense in X;

(c) there exists λ0 > 0 such that λ0I − L0 is surjective.

Lemma 1

Under Assumption 1, L0 generates a contraction semigroupSL0(t)t≥0, i.e.,

‖SL0(t)‖B(X) ≤ 1.

Page 29: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Linear operators L and L0

Main idea: L should be a generalization of ∆.

Assumption 1

(a) for any w ∈ D(L) and x0 ∈ Ω∗,

w(x0) = supx∈Ω

w(x) ⇒ Lw(x0) ≤ 0;

(b) the domain D(L0) is dense in X;

(c) there exists λ0 > 0 such that λ0I − L0 is surjective.

Lemma 1

Under Assumption 1, L0 generates a contraction semigroupSL0(t)t≥0, i.e.,

‖SL0(t)‖B(X) ≤ 1.

Page 30: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Nonlinear operator f

Main idea: f should be a generalization of f(u) = u− u3.

Assumption 2

There exists f0 ∈ C1(R) such that

f [w](x) = f0(w(x)), ∀w ∈ Cb(Ω∗), ∀x ∈ Ω∗,

and there exists β > 0 such that

f0(β) ≤ 0 ≤ f0(−β).

If f0(m) ≥ 0 ≥ f0(M) for some m < M , carry out an affinetransform.

Page 31: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Nonlinear operator f (ctd.)

Introduce a stabilizing constant κ ≥ 0, and then we obtain

ut + κu = Lu+N [u],

where N := κI + f .

Requirement on the stabilizing constant:

κ ≥ max|ξ|≤β

|f ′0(ξ)|. (K)

Write N0(ξ) = κξ + f0(ξ).

Lemma 2

Under Assumption 2 and the requirement (K), it holds that(i) |N0(ξ)| ≤ κβ for any ξ ∈ [−β, β];(ii) |N0(ξ1)−N0(ξ2)| ≤ 2κ|ξ1 − ξ2| for any ξ1, ξ2 ∈ [−β, β].

Page 32: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Maximum bound principle (MBP)

Theorem 1

Given any constant T > 0. Under Assumptions 1 and 2, if

|u0(x)| ≤ β, ∀x ∈ Ω, (IC)

then the equation (SPE) subject to either the periodic boundarycondition or the Dirichlet boundary condition with

|g(t,x)| ≤ β, ∀ t ∈ [0, T ], ∀x ∈ Ω∗c (BC)

has a unique solution u ∈ C([0, T ];X ) and it satisfies ‖u(t)‖ ≤ βfor any t ∈ [0, T ].

Page 33: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Maximum bound principle (MBP) (ctd.)

Sketch of the proof.Denote Xβ = w ∈ X : ‖w‖ ≤ β and

Cg([0, t];Xβ) = w ∈ C([0, t];Xβ) : w|[0,t]×Ω∗c= g.

For a fixed t1 > 0 and a given v ∈ Cg([0, t1];Xβ), let us definew : [0, t1]→ X being the solution of the linear problem

wt + κw = Lw +N [v], t ∈ (0, t1], x ∈ Ω∗,

w(t,x) = g(t,x), t ∈ [0, t1], x ∈ Ω∗c ,

w(0,x) = u0(x), x ∈ Ω.

Step 1. Prove w ∈ Cg([0, t1];Xβ) for given v ∈ Cg([0, t1];Xβ).

Step 2. Prove A : v 7→ w is a contraction if t1 is small sufficiently.

Step 3. Repeat the same argument on [t1, 2t1], [2t1, 3t1], . . . .

Page 34: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Examples of the nonlinear function f0

Example 1. Consider the function

f0(s) = λs(1− sp),

where λ > 0 and p ∈ N+.

f0 satisfies f0(m) ≥ 0 ≥ f0(M) with m ∈ [0, 1] and M ≥ 1;

for even p, one can choose β ≥ 1 to meet Assumption 2.

Special cases:

Case p = 2 with λ = 1 gives

f0(s) = s− s3,

the derivative of −F with F (s) = 14(s2 − 1)2.

Choosing β = 1, the requirement (K) becomes κ ≥ 2.

Page 35: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Examples of the nonlinear function f0 (ctd.)

Example 2. Consider the Flory-Huggins free energy

F (s) =θ

2[(1 + s) ln(1 + s) + (1− s) ln(1− s)]− θc

2s2,

where θ and θc are two constants satisfying 0 < θ < θc, and

f0(s) = −F ′(s) =θ

2ln

1− s1 + s

+ θcs.

Denote by ρ the positive root of f0(ρ) = 0, i.e.,

1

2ρln

1 + ρ

1− ρ=θcθ.

Then f0 satisfies Assumption 2 with β ∈ [ρ, 1).

Page 36: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Examples of the nonlinear function f0 (ctd.)

Example 3. The Helmholtz free-energy density:

F (s) = RTs(ln s−1)−RTs ln(1− bs) +as

2√

2bln

1 + (1−√

2)bs

1 + (1 +√

2)bs,

and f0(s) = −F ′(s), i.e.,

f0(s) = −RT lns

1− bs− RTbs

1− bs− a

2√

2bln

1 + (1−√

2)bs

1 + (1 +√

2)bs+

as

1 + 2bs− b2s2,

which has two zero points m and M satisfying 0 < m < M < 1/b.

The corresponding model, Peng-Robinson equation of state, iswidely used in the oil industries and petroleum engineering.

Page 37: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Examples of the linear operator L

1. Infinite dimensional examples

Example 4. Second-order elliptic differential operator

Lw(x) = A(x) : ∇2w(x) + q(x) · ∇w(x),

where q ∈ C(Ω;Rd) and A ∈ C(Ω;Rd×d) is symmetric andpositive definite uniformly. Here, Ωc = ∂Ω.

Second-order elliptic differential operator in the divergence form:

Lw(x) = ∇ · (A(x)∇w(x)) + q(x) · ∇w(x)

with A ∈ C(Ω;Rd×d) ∩C1(Ω;Rd×d) and q ∈ C(Ω;Rd). This formcould be written in a non-divergence form by setting q = ∇·A+ q.

Page 38: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Examples of the linear operator L (ctd.)

1. Infinite dimensional examples (ctd.)

Example 5. Nonlocal diffusion operator

Lw(x) =1

2

∫Bδ(0)

γδ(|y|)(w(x+ y) + w(x− y)− 2w(x)

)dy,

where γδ ≥ 0 and γδ(|y|) ∈ L1(Rd). Now,Ω∗c = y ∈ Rd \ Ω | ∃x ∈ Ω such that |x− y| ≤ δ.

Example 6. Fractional Laplace operator

Lw(x) =cd,s2

∫Rd

w(x+ y) + w(x− y)− 2w(x)

|y|d+2αdy.

Now, Ω∗c = Rd \ Ω.

Page 39: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Examples of the linear operator L (ctd.)

2. Finite dimensional examples

Example 7. Central difference operator for Laplacian

Lhw(xi) =1

h2

(w(xi−1)− 2w(xi) + w(xi+1)

).

Example 8. Quadrature-based difference operator

Lhw(xi) =∑

0<|sj |<δ

w(xi + sj) + w(xi − sj)− 2w(xi)

|sj |2|sj |1βδ(sj),

where βδ(sj) ≥ 0.

Example 9. Fractional difference operator (for Example 6).

Example 10. Mass-lumping finite element approximation for ∆.

Page 40: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Equivalent form of the model equation

Using the uniform time step τ and the nodes tn = nτ.We focus the equivalent equation on [tn, tn+1].

The function w(s,x) := u(tn + s,x) satisfiesws + κw = Lw +N [w], s ∈ (0, τ ], x ∈ Ω∗,

w(s,x) = g(tn + s,x), s ∈ [0, τ ], x ∈ Ω∗c ,

w(0,x) = u(tn,x), x ∈ Ω.

ETD schemes:

Approximating N [w(s)] by polynomial interpolations.

Page 41: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

ETD1 scheme and discrete MBP

First-order ETD: N [u(tn + s)] ≈ N [u(tn)].

For n ≥ 0 and given vn, find wn : [0, τ ]→ X solvingwns + κwn = Lwn +N [vn], s ∈ (0, τ ], x ∈ Ω∗,

wn(s,x) = g(tn + s,x), s ∈ [0, τ ], x ∈ Ω∗c ,

wn(0,x) = vn(x), x ∈ Ω,

and vn+1 = wn(τ) gives the ETD1 solution.

Theorem 2 (Discrete MBP of the ETD1 scheme)

Suppose that Assumptions 1–2, (K), (IC) and (BC) hold. TheETD1 scheme preserves the discrete MBP unconditionally, i.e., forany time step size τ > 0, the ETD1 solution satisfies ‖vn‖ ≤ β.

Page 42: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Higher-order ETDRK schemes

Let Pr(s) be an interpolation of N [u(tn + s)] on sk := kr τ

rk=0:

Pr(s) =

r∑k=0

`r,k(s)N [vn+ kr ], s ∈ [0, τ ],

where vn+ kr is an approximated value of u(tn + sk).

The MBP would be preserved if

‖vn+ kr ‖ ≤ β, ∀ k ⇒ ‖Pr(s)‖ ≤ κβ.

The unique satisfactory interpolation corresponds to r = 1, i.e.,

P1(s) =(

1− s

τ

)N [vn] +

s

τN [vn+1], s ∈ [0, τ ].

Page 43: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

ETDRK2 scheme and discrete MBP

Second-order ETD: N [u(tn + s)] ≈(

1− s

τ

)N [u(tn)] +

s

τN [u(tn+1)].

For n ≥ 0 and given vn, find wn : [0, τ ]→ X solvingwnt + κwn = Lwn +

(1− s

τ

)N [vn] +

s

τN [vn+1],

wn(s,x) = g(tn + s,x),

wn(0,x) = vn(x),

and vn+1 = wn(τ) gives the ETDRK2 solution, where vn+1 isgenerated by the ETD1 scheme.

Theorem 3 (Discrete MBP of the ETDRK2 scheme)

Suppose Assumptions 1–2, (K), (IC) and (BC) hold. The ETDRK2scheme preserves the discrete MBP unconditionally, i.e., for anytime step size τ > 0, the ETDRK2 solution satisfies ‖vn‖ ≤ β.

Page 44: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Energy stability of ETD schemes for phase field models

Phase field models are derived as the gradient flows w.r.t.

E[u] = −1

2(u,Lu)L2(Ω) +

∫ΩF (u(x)) dx,

with F : R→ R subject to f0 = −F ′. We have the energy law:

E[u(t2)] ≤ E[u(t1)], ∀ t2 ≥ t1 ≥ 0.

Proposition (Energy stability of ETD1 and ETDRK2 schemes)

(i) The ETD1 solution vnn≥0 satisfies

E[vn+1] ≤ E[vn], ∀ τ > 0;

(ii) The ETDRK2 solution vnn≥0 satisfies

E[vn] ≤ E[v0] + C(|Ω|, T, κ), τ ∈ (0, 1].

Page 45: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Real vector-valued equation

Ginzburg–Landau model (without electric effect)

φt = (∇+ iA)2φ+ (1− |φ|2)φ.

If we let ψ = eiA·xφ, then

ψt = ∆ψ + (1− |ψ|2)ψ.

In more general, we consider the vector-valued equation

ut = ∆u+ (1− |u|2)u, in (0, T ]× Ω,

where u : [0, T ]× Ω→ Rm is subject to the periodic, Dirichlet, orhomogeneous Neumann boundary conditions.

Page 46: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Real vector-valued equation (ctd.)

Introducing the constant κ ≥ 0 as before, we obtain

ut + κu = ∆u+N0(u),

where N0(ξ) := κξ + (1− |ξ|2)ξ.

Requirement: κ ≥ 2.

Corollary

The ETD1 and ETDRK2 schemes of the vector-valued equationboth preserve the discrete MBPs unconditionally.

Page 47: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Numerical experiments

Example 1. Scalar equation

ut = 0.01∆u+ f0(u)

with logarithmic potential

f0(u) = 0.4 ln1− u1 + u

+ 1.6u,

where

Ω = (0, 2π)× (0, 2π);

h = 2π/512; u0 is random in [−0.9, 0.9];

periodic and homogeneous Neumann boundary conditions;

FFT-based algorithms for computing matrix exponentials.

Page 48: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Numerical experiments (ctd.)

Example 1. Scalar equation with logarithmic potential

the root of f0(ρ) = 0 is ρ ≈ 0.9575.

0 2 4 6 8 10 12 14 16 18 20

Time

0

0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.9

1

Sup

rem

um n

orm

0 0.5 1 1.5 20

0.2

0.4

0.6

0.8

1

0 2 4 6 8 10 12 14 16 18 20

Time

0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.9

1

Sup

rem

um n

orm

0 0.5 1 1.5 20

0.2

0.4

0.6

0.8

1

0 20 40 60 80 100 120 140 160 170

Time

-15

-10

-5

0

5

10

15

20

25

Ene

rgy

0 5 10 15 20-10

0

10

20

30

150 155 160 165 170-10.4

-10.2

-10

-9.8

0 50 100 150 200 250 300 350 400 450 500 550

Time

-15

-10

-5

0

5

10

15

20

25

Ene

rgy

0 5 10 15 20-10

0

10

20

30

530 535 540 545 550-10.35

-10.3

-10.25

-10.2

Page 49: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Numerical experiments (ctd.)

Example 2. Vector-valued Allen–Cahn equation

ut = 0.005∆u+ (1− |u|2)u.

nonhomogeneous Dirichlet BC;

piecewise linear finite elementwith mass-lumping;

triangular mesh with 2210nodes and 4158 elements;

Krylov subspace method forcomputing matrix exponentials.

Page 50: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Numerical experiments (ctd.)

Example 2. Vector-valued Allen–Cahn equation

Page 51: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Numerical experiments (ctd.)

Example 2. Vector-valued Allen–Cahn equation

0 10 20 30 40 50 60 70 80 90 100

Time

0.75

0.8

0.85

0.9

0.95

1

Max

imum

val

ue o

f the

mod

ule

0 0.5 1 1.5 2 2.5 30.75

0.8

0.85

0.9

0.95

1

0 10 20 30 40 50 60 70 80 90 100

Time

0

5

10

15

Ene

rgy

0 0.1 0.2 0.3 0.40

5

10

15

70 80 90 1000.094375

0.094377

Page 52: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Outline

1 Introduction and motivationMaximum bound principle preserving exponential timedifferencing schemes for the nonlocal Allen-Cahn equation

2 Abstract framework for semilinear parabolic equationsModel equation and its MBPExamplesMBP-preserving ETD schemesExtension

3 Conclusion

Page 53: Maximum bound principles for a class of semilinear parabolic ...For the ETD1 scheme, we prove it by induction: kU0k 1 ku 0k L1 1; assume kUkk 1 1, prove kUk+1k 1 1. We have kUk+1k

Introduction and motivation Abstract framework for semilinear parabolic equations Conclusion

Conclusion

Du-Ju-Li-Q, SIAM Review, Accepted, 2020.

ut = Lu+ f [u]

MBP

assumption on L

assumption on f

requirement on κ

MBP-preservingETD schemes

Higher-order linear (or explicit) MBP-preserving schemes?

Thanks for your attention!