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Conditional phase-field free-energy dissipation

Physical scope

Conditional decay of kinetic plus phase-field free energy for a smooth constant-density incompressible model on a three-dimensional periodic box. This is not total thermodynamic energy, an existence theorem, an empirical conclusion, or a sharp-interface or immiscibility result.

Statement

Let S,L,U,ρ∗,Φ∗>0 with units respectively dimensionless, metres, metres per second, kilograms per cubic metre, and a chosen phase unit [Φ]. Put T∗=L/U, T3=R3/(2πZ)3, ΩL=R3/(2πLZ)3, and t∈[0,T∗S]. Fields on each torus are represented by periodic lifts and physical integrals are over QL=[0,2πL]3. Let ε,M,ν>0 be dimensionless and let W∈C2(R) be bounded below. Define

β=ρ∗U2ε,λϕ=ρ∗U2L2εΦ∗2,η=ρ∗ULν,M=MΦ∗2Lρ∗U,fb(φ)=βW(φ/Φ∗).

For periodic physical fields u:[0,T∗S]×ΩL→R3, φ:[0,T∗S]×ΩL→R, and scalar pressure p, define

μ=fb′(φ)−λϕΔxφ,D=12(∇xu+(∇xu)T),

σ=−pI3+2ηD+(fb(φ)−φμ+λϕ2∣∇xφ∣2)I3−λϕ∇xφ⊗∇xφ.

Assume the dimensionless fields v(s,y)=u(T∗s,Ly)/U, ϕ(s,y)=φ(T∗s,Ly)/Φ∗, and π(s,y)=p(T∗s,Ly)/(ρ∗U2) satisfy

v∈C1([0,S];Cper2(T3;R3)),ϕ∈C1([0,S];Cper1(T3;R))∩C([0,S];Cper2(T3;R)),π∈C([0,S];Cper1(T3;R)),

with μc=ε−1W′(ϕ)−εΔyϕ∈C([0,S];Cper2), and satisfy the adopted dimensional equations

∂tφ+u⋅∇xφ=MΔxμ,∇x⋅u=0,ρ∗(∂tu+(u⋅∇x)u)=div⁡xσ,(div⁡xσ)i=∑j∂xjσij.

Here Cperk consists of periodic lifts whose coordinate derivatives through order k are continuous, bounded, and uniformly continuous on [0,2π]3; C1([0,S];Cperk) means time differentiability in the corresponding supremum norms. For a scalar field g, ∇xg=(∂x1g,∂x2g,∂x3g) and Δxg=∑j=13∂xj2g; for a vector field u, (∇xu)ij=∂xjui.

For the kinetic-plus-phase free-energy functional

G(t)=∫ΩL(ρ∗2∣u(t,x)∣2+λϕ2∣∇xφ(t,x)∣2+βW(φ(t,x)/Φ∗)) dx,

where ∣∇xu∣2=∑i,j=13∣∂xjui∣2, the conditional model identity is

dGdt(t)=−η∫ΩL∣∇xu(t,x)∣2 dx−M∫ΩL∣∇xμ(t,x)∣2 dx(0<t<T∗S).

The functional G is not the complete thermodynamic energy. This deduction neither asserts existence of such a solution nor derives the adopted isothermal closure from a total-energy or entropy balance.

Facts & Assumptions

Given: The scales, fields, regularity, free-energy functional, and pointwise equations in the statement.

[F1]

Adopted diffuse free energy, mobility and capillary stress: the model adopts ∂tφ+u⋅∇xφ=MΔxμ, ∇x⋅u=0, and ρ∗(∂tu+(u⋅∇x)u)=div⁡xσ, with the displayed free-energy and capillary stress.

[F2]

SI dimensionalization of the periodic diffuse-interface model: x=Ly, t=(L/U)s, u=Uv, φ=Φ∗ϕ, and p=ρ∗U2π; it defines β,λϕ,η,M and the physical chemical potential μ=fb′(φ)−λϕΔxφ with their units.

[F3]

Cancellation of capillary and transport energy exchange: for the dimensionless periodic phase and momentum equations, the stated smoothness, ε,M,ν>0, and W∈C2(R) bounded below, the dimensionless kinetic-plus-phase functional satisfies E′(s)=−ν∫T3∣∇yv∣2 dy−M∫T3∣∇yμc∣2 dy for 0<s<S.

[A1]

The physical fields are periodic lifts related to the dimensionless fields by the change of variables in [F2]. All derivatives and products in the stress divergence are continuous in the stated field class.

Proof

Given: The physical model equations in [F1], the scale map and coefficient identities in [F2], and the conditional dimensionless energy identity in [F3].

1.1givenF1F2A1algebra

The chain rule gives fb′(φ)=βΦ∗−1W′(φ/Φ∗) and Δxφ=(Φ∗/L2)Δyϕ. Substitution of β=ρ∗U2/ε and λϕ=ρ∗U2L2ε/Φ∗2 into μ=fb′(φ)−λϕΔxφ yields μ=(ρ∗U2/Φ∗)(ε−1W′(ϕ)−εΔyϕ)=(ρ∗U2/Φ∗)μc. For the capillary stress σc=(fb−φμ+λϕ∣∇xφ∣2/2)I3−λϕ∇xφ⊗∇xφ, componentwise product differentiation gives (div⁡x(∇xφ⊗∇xφ))i=∑j∂xj(∂xiφ ∂xjφ)=Δxφ ∂xiφ+∂xi(∣∇xφ∣2/2). Therefore div⁡xσc=∇xfb−∇x(φμ)+λϕ∇x(∣∇xφ∣2/2)−λϕdiv⁡x(∇xφ⊗∇xφ)=(fb′−μ−λϕΔxφ)∇xφ−φ∇xμ=−φ∇xμ, since μ=fb′−λϕΔxφ. Also (div⁡x(2ηD))i=η∑j∂xj2ui+η∂xi(∑j∂xjuj)=ηΔxui by incompressibility, while div⁡x(−pI3)=−∇xp. Thus [F1] gives ρ∗(∂tu+(u⋅∇x)u)+∇xp=ηΔxu−φ∇xμ. The scale relations in [F2] give ∂tφ+u⋅∇xφ=(Φ∗U/L)(∂sϕ+v⋅∇yϕ) and MΔxμ=(MΦ∗U/L)Δyμc; dividing by Φ∗U/L yields the dimensionless phase equation. They give ρ∗(∂tu+(u⋅∇x)u)+∇xp=(ρ∗U2/L)(∂sv+(v⋅∇y)v+∇yπ), ηΔxu=(ρ∗U2/L)νΔyv, and φ∇xμ=(ρ∗U2/L)ϕ∇yμc, so division yields the dimensionless momentum equation. The divergence constraint scales by U/L. Finally, dx=L3dy and direct substitution into G gives G=ρ∗U2L3E.

2.1F2F3step 1.1algebra∎

Apply [F3] to the smooth dimensionless fields from step 1.1 and use ds/dt=U/L to obtain dGdt=ρ∗U3L2dEds. Since ∇xu=(U/L)∇yv, η=ρ∗ULν, and dx=L3dy, we have η∫ΩL∣∇xu∣2dx=ρ∗U3L2ν∫T3∣∇yv∣2dy. Since ∇xμ=(ρ∗U2/(Φ∗L))∇yμc and M=MΦ∗2L/(ρ∗U), we likewise have M∫ΩL∣∇xμ∣2dx=ρ∗U3L2M∫T3∣∇yμc∣2dy. Substituting [F3] proves the stated physical free-energy identity.

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