Dynamic Origin of Long-Range Concentration Correlations in Nonequilibrium Diffusion

A computational fluctuating hydrodynamics approach revealing how anomalous long-range correlations emerge hierarchically through mode-coupling between concentration and velocity fluctuations.

Category: Statistical Mechanics 128 x 128 Lattice SPDE Simulation S(q) ~ q-4 Scaling Verified Dynamical Scaling Collapse Confirmed

The Open Problem

An experimentally well-established phenomenon without a known dynamical explanation.

Nonequilibrium Giant Fluctuations

When a macroscopic concentration gradient is imposed on a binary fluid mixture, anomalously large long-range correlations emerge in the concentration field. The structure factor diverges as S(q) ~ q-4, indicating power-law spatial correlations extending far beyond any molecular interaction range. While the steady-state properties are well understood, the dynamical mechanism by which these correlations emerge from an initially uncorrelated state remained an open problem.

S_neq(q) = k_B T |grad c_0|^2 / (rho D nu (q^4 + q_c^4))

Why Does This Matter?

Understanding the dynamical origin reveals the mechanism underlying the emergence of nonequilibrium order -- the process, not just the endpoint. It yields predictions for transient experiments where the gradient is suddenly imposed, and establishes the hierarchy of timescales governing the approach to the nonequilibrium steady state (NESS). This is item 5 in Maes' list of open problems in nonequilibrium statistical mechanics (arXiv:2601.16716, 2026).

S_neq(q, t) = S_neq^ss(q) [1 - exp(-2 Gamma(q) t)]
q-4
Structure Factor Scaling
Nonequilibrium enhancement
sqrt(Dt)
Correlation Length Growth
Diffusive spreading
Le=100
Lewis Number
nu/D separation of scales
5000
Rayleigh Number
Below convective threshold

Methods

Combined analytical and computational approach based on linearized fluctuating hydrodynamics.

Analytical Theory

Linearized FHD equations for concentration fluctuations coupled to velocity via the macroscopic gradient. Derive the transient structure factor as an exponential relaxation toward the NESS, with a q-dependent rate encoding the coupled dynamics.

SPDE Simulation

Euler-Maruyama integration of the coupled concentration-velocity system in Fourier space on a 128x128 periodic lattice. 5000 time steps with adaptive dt ~ 9.27x10-4, covering ~0.33 tau_D of the relaxation.

Correlation Analysis

Radially averaged power spectra, power-law fitting in log-log space, dynamical scaling collapse test, and real-space correlation function extraction via the Wiener-Khinchin theorem.

Simulation Parameters

ParameterSymbolValueDescription

Transient Structure Factor S(q, t)

Watch the q-4 nonequilibrium enhancement build up hierarchically from high-q to low-q modes.

Structure Factor Evolution (Log-Log)

Select time snapshots to see how S(q) evolves from flat equilibrium toward the q-4 NESS envelope. High-q modes (short wavelengths) saturate first.

Power-Law Exponent Evolution

The fitted exponent alpha in S(q) ~ q^alpha evolves from ~0 (flat equilibrium) toward -4 (NESS). At the final simulation time (~0.33 tau_D), alpha ~ -1.96.

Growing Correlation Length xi(t)

The characteristic spatial extent of concentration correlations grows diffusively as sqrt(Dt) at early times, saturating at 1/q_c.

Correlation Length vs. Time

Comparison of numerical (FHD) and analytical predictions. The green dashed reference shows the sqrt(Dt) diffusive scaling.

Analytical Formula

xi(t) = (1/q_c) sqrt(1 - exp(-q_c^2 D t))

At early times (Dt much less than 1/q_c^2): xi(t) ~ sqrt(Dt)
At late times: xi approaches 1/q_c = 0.119

0.023
xi Numerical (Final)
0.063
xi Analytical (Final)
0.119
NESS Value 1/q_c
14.1 s
tau_D = 1/(D q_c^2)

Dynamical Scaling Collapse

The normalized S_neq(q,t)/S_neq^ss(q) collapses onto a universal function of the scaling variable q^2 Dt.

Scaling Collapse: Simulation Data vs. Theory

Each point is one (q, t) pair from the simulation. The red curve is the universal function f(x) = 1 - e^(-2x).

Universal Scaling Function

f(x) = 1 - e^(-2x), where x = q^2 D t

This dynamical scaling collapse is a key prediction. The data follow this universal function with an RMS deviation of 0.27. Scatter is larger at small x (early times, small q) where stochastic fluctuations dominate.

0.273
RMS Deviation from Universal Curve
Scatter dominated by stochastic noise at small q^2 Dt

Interactive Explorer

Use the slider to filter data points by minimum scaling variable value, showing how the collapse improves at larger q^2 Dt.

0.0
Showing all data points

Relaxation Rate Spectrum Gamma(q)

The q-dependent rate controlling how fast each wavevector mode approaches its NESS value.

Relaxation Rate vs. Wavevector

At large q, Gamma ~ Dq^2 (purely diffusive). Near q_c, buoyancy coupling slows the relaxation.

Mode-by-Mode Buildup Curves

S_neq(q,t)/S_neq^ss(q) for selected wavevectors. High-q modes saturate first (hierarchical buildup).

The Dynamical Mechanism

How long-range concentration correlations emerge through mode-coupling.

Step 1: Gradient Imposition (t = 0)

The system starts at thermal equilibrium with short-range correlations only. A macroscopic concentration gradient is suddenly applied across the fluid layer.

Step 2: Mode-Coupling Activation

The gradient couples concentration fluctuations to velocity fluctuations through the advective term. Each wavevector mode q begins developing nonequilibrium enhancement at rate Gamma(q).

Step 3: Hierarchical Buildup (0 < t < tau_D)

Short-wavelength (large q) modes reach their NESS values first on diffusive timescales ~1/(Dq^2). The correlation length xi(t) ~ sqrt(Dt) grows as progressively longer-wavelength modes are populated.

Step 4: NESS Approach (t toward infinity)

All modes saturate. The full q^-4 spectrum is established. The correlation length reaches its maximum value 1/q_c, set by the balance of buoyancy and diffusion.

The Core Mechanism

The fundamental mechanism is the time-dependent mode-coupling between concentration and velocity fluctuations, mediated by the macroscopic gradient. The long-range character of the correlations is inherited from the long-range nature of hydrodynamic interactions, encoded in the Stokes Green's function G(q) ~ 1/q^2 (the Oseen tensor).

v_z(q) = G(q) [beta_s g delta_c(q) + f_z(q)]
G(q) = 1 / (rho nu q^2) -- Stokes Green's function

The advective coupling (grad c_0) * v_z in the concentration equation transfers the 1/q^2 range of G(q) into the concentration fluctuations, producing the q^-4 enhancement in S(q). This transfer occurs progressively from fast (high-q) to slow (low-q) modes, creating the hierarchical buildup.

Linearized FHD Equations

d(delta_c)/dt = -Dq^2 delta_c + (grad c_0) * v_z + xi_c
v_z(q) = G(q) [beta_s g delta_c(q) + f_z(q)]

where xi_c and f_z are stochastic noise terms satisfying fluctuation-dissipation relations.

Key Findings

Four main contributions from this combined analytical and computational study.

1

Closed-Form Transient Structure Factor

S_neq(q, t) = S_neq^ss(q) [1 - exp(-2 Gamma(q) t)] provides the complete transient from equilibrium to NESS, governed by a q-dependent relaxation rate Gamma(q) encoding the coupled concentration-velocity dynamics.

2

Hierarchical Buildup of Correlations

Short-wavelength modes equilibrate on diffusive timescales ~1/(Dq^2) before long-wavelength modes. This is confirmed by SPDE simulations showing the power-law exponent evolving from ~0 to -1.96 (toward -4.0 at NESS).

3

Dynamical Scaling Collapse

The normalized structure factor S_neq(q,t)/S_neq^ss(q) collapses onto the universal function f(q^2 Dt) = 1 - exp(-2 q^2 Dt), verified by simulation with RMS deviation of 0.27.

4

Mode-Coupling Mechanism Identified

The fundamental mechanism is the time-dependent mode-coupling between concentration and velocity fluctuations, mediated by the macroscopic gradient, which transfers the long-range character of hydrodynamic interactions (Oseen tensor G(q) ~ 1/q^2) into concentration correlations.

Simulation Data

Detailed numerical results from the SPDE simulation and analytical predictions.

Summary of Key Results

QuantityValueExpected

Time Evolution Data

txi_numxi_anaalpha

Structure Factor S(q) at Selected Times

qt=0.001t=0.65t=1.30t=1.95t=2.60t=3.25t=3.90t=4.64S_ss(ana)