A NOVEL LAGRANGE MULTIPLIER APPROACH WITH RELAXATION FOR GRADIENT FLOWS. ZHENGGUANG LIUyAND XIAOLI LIz

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A NOVEL LAGRANGE MULTIPLIER APPROACH WITH RELAXATION FOR
GRADIENT FLOWS.
ZHENGGUANG LIU AND XIAOLI LI*
Abstract. In this paper, we propose a novel Lagrange Multiplier approach, named zero-factor (ZF) approach to solve a
series of gradient flow problems. The numerical schemes based on the new algorithm are unconditionally energy stable with
the original energy and do not require any extra assumption conditions. We also prove that the ZF schemes with specific zero
factors lead to the popular SAV-type method. To reduce the computation cost and improve the accuracy and consistency, we
propose a zero-factor approach with relaxation, which we named the relaxed zero-factor (RZF) method, to design unconditional
energy stable schemes for gradient flows. The RZF schemes can be proved to be unconditionally energy stable with respect
to a modified energy that is closer to the original energy, and provide a very simple calculation process. The variation of the
introduced zero factor is highly consistent with the nonlinear free energy which implies that the introduced ZF method is a very
efficient way to capture the sharp dissipation of nonlinear free energy. Several numerical examples are provided to demonstrate
the improved efficiency and accuracy of the proposed method.
Key words. Lagrange Multiplier approach, Zero-factor approach, Gradient flows, Relaxation, Energy stable, Numerical
examples.
AMS subject classifications. 65M12; 35K20; 35K35; 35K55; 65Z05
1. Introduction. Gradient flows are a kind of important models to simulate many physical problems
such as the interface behavior of multi-phase materials, the interface problems of fluid mechanics, environ-
mental science and material mechanics. In general, as the highly complex high-order nonlinear dissipative
systems, it is a great challenge to construct effective and accurate numerical schemes with physical con-
straints such as energy dissipation and mass conservation. Many experts and scholars considered some
unconditionally energy stable schemes. These numerical schemes preserve the energy dissipation law which
does not depend on the time step. Some popular and widely used methods include convex splitting approach
[6, 13, 17], linear stabilized approach [16, 22], exponential time differencing (ETD) approach [4, 5, 18],
invariant energy quadratization (IEQ) approach [7, 19, 21, 25], scalar auxiliary variable (SAV) approach
[10, 14, 15], Lagrange multiplier approach [1] and so on.
Gradient flow models are generally derived from the functional variation of free energy. In general, the
free energy E(φ) contains the sum of an integral phase of a nonlinear functional and a quadratic term:
(1.1) E(φ) = 1
2(φ, Lφ) + E1(φ) = 1
2(φ, Lφ) + Z
F(φ)dx,
where Lis a symmetric non-negative linear operator, and E1(φ) = RF(φ)dxis nonlinear free energy. F(x)
is the energy density function. The gradient flow from the energetic variation of the above energy functional
E(φ) in (1.1) can be obtained as follows:
(1.2) φ
t =−Gµ, µ =Lφ+F0(φ),
where µ=δE
δφ is the chemical potential. Gis a positive operator. For example, G=Ifor the L2gradient
flow and G=∆ for the H1gradient flow.
It is not difficult to find that the above phase field system satisfies the following energy dissipation law:
d
dtE= (δE
δφ ,φ
t ) = (Gµ, µ)0,
We would like to acknowledge the assistance of volunteers in putting together this example manuscript and supplement.
This work is supported by National Natural Science Foundation of China (Grant Nos: 12001336, 11901489, 12131014).
School of Mathematics and Statistics, Shandong Normal University, Jinan, China. Email: liuzhg@sdnu.edu.cn.
Shandong University, Jinan, Shandong, 250100, China. Email: xiaomath@sdu.edu.cn.
1
arXiv:2210.02723v1 [math.NA] 6 Oct 2022
2ZHENGGUANG LIU AND XIAOLI LI
which is a very important property for gradient flows in physics and mathematics.
Recently, many SAV-type methods are developed to optimize the traditional SAV method. For example,
in [23], the authors introduced the generalized auxiliary variable method for devising energy stable schemes
for general dissipative systems. An exponential SAV approach in [12] is developed to modify the traditional
method to construct energy stable schemes by introducing an exponential SAV. In [8], the authors consider
a new SAV approach to construct high-order energy stable schemes. In [1], the authors introduce a new
Lagrange multiplier approach which is unconditionally energy stable with the original energy. However, the
new approach requires solving a nonlinear algebraic equation for the Lagrange multiplier which brings some
additional costs and theoretical difficulties for its analysis. Recently, Jiang et al. [9] present a relaxation
technique to construct a relaxed SAV (RSAV) approach to improve the accuracy and consistency noticeably.
In this paper, inspired by the new Lagrange multiplier approach and RSAV approach, we propose a
novel technique to construct the unconditional energy stable schemes for gradient flows by introducing a
zero factor. Compared with the recently proposed SAV-type approach, the numerical schemes based on the
new zero-factor (ZF) method dissipate the original energy and do not require the explicitly treated part
of the free energy to be bounded from below. The core idea of the zero-factor approach is to introduce a
zero factor to modify the solution φn+1 of the baseline semi-implicit method at each time step. The value
of the introduced zero factor P(η) is controlled by energy stability. To reduce the computation cost and
improve the accuracy and consistency, we propose a zero-factor approach with relaxation, which we named
the relaxed zero-factor (RZF) method, to design unconditional energy stable schemes for gradient flows. The
RZF approach almost preserves all the advantages of the new zero-factor approach. It is unconditionally
energy stable with respect to a modified energy that is closer to the original energy, and provides a very
simple calculation process. Our main contributions of this paper are:
(i). The new introduced RZF method can keep the original energy in most cases and provides a very
simple calculation process;
(ii). We prove that the zero factor schemes with specific P(η) lead to the popular SAV-type and Lagrange
multiplier methods;
(iii). The variation of the introduced zero factor is highly consistent with the nonlinear free energy which
implies that the introduced zero factor is very efficient to capture the sharp dissipation of the nonlinear free
energy.
The paper is organized as follows. In Sect.2, we introduce a zero factor to construct a new zero-factor
approach to simulate a series of gradient flows. In Sect.3, by using a relaxation technique, we propose a
relaxed ZF approach. Then the second-order Crank-Nicloson and BDF2 schemes based on RZF method
are constructed. In Sect.4, we briefly illustrate that the RZF approach can be easily applied to simulate
the gradient flow with several disparate nonlinear terms. Finally, in Sect.5, various 2D and 3D numerical
simulations are demonstrated to verify the accuracy and efficiency of our proposed schemes.
2. The Zero-Factor Approach. Introduce a scalar auxiliary function η(t) to construct a linear func-
tion P(η), and rewrite the gradient flow (1.2) with a zero factor P(η) as follows:
(2.1)
φ
t =−Gµ,
µ=Lφ+F0(φ) + P(η)F0(φ),
d
dt Z
F(φ)dx=Z
F0(φ)φtdx+P(η)Z
F0(φ)φtdx.
Here the zero factor P(η) is a linear zero function which can be chosen flexibly, such as the following P1and
P2
(2.2) P1(η) = k1η, P2(η) = k2ηt,
where k1and k2are any non-zero constants.
RELAXED ZERO-FACTOR APPROACH FOR GRADIENT FLOWS 3
Set the initial condition for η(t) to be η(0) = 0 for P1(η) or η(0) = c0for P2(η) where c0is an arbitrary
constant, then it is easy to see that the new system (2.1) is equivalent to the original system (1.2), i.e.,
P(η) = 0 in (2.1).
Taking the inner products of the first two equations in the above equivalent system (2.1) with µand φt,
respectively, then summing up the results together with the third equation, we obtain the original energy
dissipative law:
d
dtE=(Gµ, µ)0,
It means that the linear functional P(η) here is to serve as a zero factor to enforce dissipation of the original
energy.
2.1. A second-order Crank-Nicloson ZF scheme. Before giving a detailed introduction, we let
N > 0 be a positive integer and set
t=T/N, tn=nt, for nN.
In the following, we will consider a second-order Crank-Nicolson scheme for the system (2.1). Discretize
the nonlinear functional F0(φ) explicitly and the other items implicitly in (2.1), and give the initial values
φ0=φ0(x), η(0) = c0, then couple with Crank-Nicolson formula, a second-order energy stable schemes can
be constructed as follows:
(2.3)
φn+1 φn
t=−Gµn+1
2,
µn+1
2=1
2Lφn+1 +1
2Lφn+F0(b
φn+1
2) + P(ηn+1
2)F0(b
φn+1
2),
(F(φn+1),1) (F(φn),1) = F0(b
φn+1
2), φn+1 φn+P(ηn+1
2)F0(b
φn+1
2), φn+1 φn,
where b
φn+1
2=3
2φn1
2φn1.
Taking the inner products of first two equation in (2.3) with µn+1
2and φn+1φn
trespectively, and
multiplying the third equation with ∆t, then combining these equations, we obtain the above Crank-Nicolson
scheme satisfies the following original energy dissipative law:
(2.4) E(φn+1)− E(φn) = t(Gµn+1
2, µn+1
2)0,
where E(φn) = 1
2(Lφn, φn)+(F(φn),1).
The Crank-Nicolson scheme (2.3) is nonlinear for the variables φn+1 and ηn+1. We now show how to
solve it efficiently. Combining the first two equations in (2.3), we can obtain the following linear matrix
equation
(I+1
2tGL)φn+1 = (I1
2tGL)φntGF0(b
φn+1
2)− P(ηn+1
2)∆tGF0(b
φn+1
2).
Noting that the coefficient matrix A= (I+1
2tGL) is a symmetric positive matrix, then we obtain
(2.5) φn+1 =A1(I1
2tGL)φntGF0(b
φn+1
2)− P(ηn+1
2)∆tA1GF0(b
φn+1
2)
=φn+1 +P(ηn+1
2)qn+1,
Here φn+1 and qn+1 can be solved directly by φnand b
φn+1
2as follows:
(2.6) φn+1 =A1(I1
2tGL)φntGF0(b
φn+1
2), qn+1 =tA1GF0(b
φn+1
2).
4ZHENGGUANG LIU AND XIAOLI LI
Combining the equation (2.5) with the third equation in (2.3), we have
(2.7) F(φn+1 +P(ηn+1
2)qn+1),1(F(φn),1)
=h1 + P(ηn+1
2)iF0(b
φn+1
2), pn+1 +P(ηn+1
2)qn+1 φn.
One can see that to solve above nonlinear numerical scheme (2.7), we need to solve ηn+1 by the Newton
iteration as the initial condition. The computational complexity depends on F(φ). The computational cost
is equal to the Lagrange Multiplier approach which was proposed by Shen et al. [1].
Remark 2.1. In principle one can choose any linear function to be zero factor P(η)in equation (2.1).
A special case is P(η) = η(t)1, then the zero factor method leads to the new Lagrange multiplier approach
in [1].
Remark 2.2. From the equation (2.5), we notice that φn+1 is the solution of the baseline semi-implicit
Crank-Nicolson scheme. Hence the core idea of the zero factor approach is to introduce a zero factor to
modify the solution φn+1 at each time step. The value of the zero factor is controlled by energy stability.
2.2. A revisit of the SAV-type approach. In this subsection, we will review the SAV-type approach
and prove that the introduced scalar auxiliary variables can be seen as the specific zero factors. Furthermore,
we can modify the SAV-type methods to construct new schemes which dissipate the original energy.
The key for the SAV approach is to introduce a scalar variable r(t) = pE(φ) + Cwhere E1(φ) =
(F(φ),1) is the nonlinear free energy and rewrite the gradient flows (1.2) as the following equivalent system:
(2.8)
φ
t =−Gµ,
µ=Lφ+r(t)
pE1(φ) + CF0(φ),
dr
dt =1
2pE1(φ) + C(F0(φ), φt).
A second-order Crank-Nicloson SAV scheme for above equivalent system is as follows:
(2.9)
φn+1 φn
t=−Gµn+1
2,
µn+1
2=1
2Lφn+1 +1
2Lφn+rn+1
2
qE1(b
φn+1
2) + C
F0(b
φn+1
2),
rn+1 rn
t=1
2qE1(b
φn+1
2) + C
(F0(b
φn+1
2),φn+1 φn
t).
Here rn+1
2= (rn+1 +rn)/2.
Combining the first two equations in above second-order scheme, we can obtain:
(2.10)
(I+1
2tGL)φn+1 = (I1
2tGL)φntrn+1
2
qE1(b
φn+1
2) + CGF0(b
φn+1
2)
=(I1
2tGL)tGF0(b
φn+1
2)
rn+1
2
qE1(b
φn+1
2) + C1
tGF0(b
φn+1
2).
RELAXED ZERO-FACTOR APPROACH FOR GRADIENT FLOWS 5
Using the same definitions of φn+1 and qn+1 in (2.6), we can obtain φn+1 as follows:
(2.11)
φn+1 =A1(I1
2tGL)φntGF0(b
φn+1
2)
rn+1
2
qE1(b
φn+1
2) + C1
tA1GF0(b
φn+1
2)
=φn+1 +
rn+1
2
qE1(b
φn+1
2) + C1
qn+1.
Compared above equation (2.11) with (2.6), we can obviously obtain that the key for the SAV approach is
to introduce a zero factor
(2.12) P(r) = r(t)
pE1(φ) + C1.
It means that the core idea of the SAV scheme (2.9) is also to introduce a special zero factor to modify the
solution φn+1 which is the solution of the baseline semi-implicit Crank-Nicolson scheme at each time step.
The value of the zero factor P(r) is controlled by energy stability.
Inspired by the introduced ZF method, we can obtain a new SAV approach which is unconditionally
energy stable with the original energy by changing the third equation in the equivalent system (2.8):
(2.13)
φ
t =−Gµ,
µ=Lφ+r(t)
pE1(φ) + CF0(φ),
d
dt Z
F(φ)dx=r(t)
pE1(φ) + CZ
F0(φ)φtdx.
A second-order Crank-Nicloson SAV scheme for above equivalent system (2.13) is as follows:
(2.14)
φn+1 φn
t=−Gµn+1
2,
µn+1
2=1
2Lφn+1 +1
2Lφn+rn+1
2
qE1(b
φn+1
2) + C
F0(b
φn+1
2),
(F(φn+1),1) (F(φn),1) = rn+1
2
qE1(b
φn+1
2) + C
(F0(b
φn+1
2), φn+1 φn).
Taking the inner products of first two equation in (2.14) with µn+1
2and φn+1φn
trespectively, and mul-
tiplying the third equation with ∆t, then combining these equations, we obtain the above Crank-Nicolson
scheme satisfies the following original energy dissipative law:
(2.15) E(φn+1)− E(φn) = t(Gµn+1
2, µn+1
2)0,
where E(φn) = 1
2(Lφn, φn)+(F(φn),1).
Remark 2.3. For other SAV-type approaches, the core idea is also to introduce a special zero factor to
modify the solution φn+1. For example, the zero factor P(r) = r(t)
exp(E1(φ)) 1for ESAV approach in [12].
3. The Relaxed Zero-Factor Approach. From above analysis, we notice that the scheme based on
the zero-factor approach dissipates the original energy but needs to solve a nonlinear algebraic equation
which brings some additional costs and theoretical difficulties for its analysis. In general, compared with the
摘要:

ANOVELLAGRANGEMULTIPLIERAPPROACHWITHRELAXATIONFORGRADIENTFLOWS.ZHENGGUANGLIUyANDXIAOLILI*zAbstract.Inthispaper,weproposeanovelLagrangeMultiplierapproach,namedzero-factor(ZF)approachtosolveaseriesofgradientowproblems.Thenumericalschemesbasedonthenewalgorithmareunconditionallyenergystablewiththeorigi...

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