arXiv subjects

Jörg Schumacher

Publications and source records attributed to Jörg Schumacher.

At least 19 recordsLinked to original sources

arXiv2026

Variational quantum algorithm for anion exchange across electrolyzer membrane

We present a variational quantum algorithm that solves the one-dimensional diffusion problem with a space-dependent diffusion constant $D(x)$. This problem is relevant for the exchange of hydroxide ions across a two-layer membrane in an alkaline electrolyzer, where the concentration of OH$^-$ ion determines the chemical stability for longer time periods. We use $16$ to $64$ grid points across the membrane, resulting from $n=4$ to $6$ data qubits for the ideal statevector and shot-based quantum simulations implemented using Qiskit. For these qubit numbers, the depth of the parametric quantum circuit has been chosen to ensure sufficient expressibility. The state preparation requires particular attention since the diffusivity $D$ is piecewise constant in the different layers with discontinuities at the interface. Furthermore, we compare different classical optimization schemes with respect to their convergence in the VQA method. We demonstrate the applicability of the quantum algorithm to a problem with non-trivial boundary conditions and jump conditions of the diffusion constant and outline possible extensions of the proof-of-concept application case of quantum computing. Our simulations show that pronounced hydroxide ion concentration gradients, and thus chemical instabilities, can occur only when the ratio of diffusivity in both layers of the membrane exceeds approximately 50.

physics.flu-dyn↗

arXiv2026

Tensor network approximation of Koopman operators

We propose a tensor network framework for approximating the evolution of observables of measure-preserving ergodic systems. Our approach is based on a spectrally-convergent approximation of the skew-adjoint Koopman generator by a diagonalizable, skew-adjoint operator $W_τ$ that acts on a reproducing kernel Hilbert space $\mathcal H_τ$ with coalgebra structure and Banach algebra structure under the pointwise product of functions. Leveraging this structure, we lift the unitary evolution operators $e^{t W_τ}$ (which can be thought of as regularized Koopman operators) to a unitary evolution group on the Fock space $F(\mathcal H_τ)$ generated by $\mathcal H_τ$ that acts multiplicatively with respect to the tensor product. Our scheme also employs a representation of classical observables ($L^\infty$ functions of the state) by quantum observables (self-adjoint operators) acting on the Fock space, and a representation of probability densities in $L^1$ by quantum states. Combining these constructions leads to an approximation of the Koopman evolution of observables that is representable as evaluation of a tree tensor network built on a tensor product subspace $\mathcal H_τ^{\otimes n} \subset F(\mathcal H_τ)$ of arbitrarily high grading $n \in \mathbb N$. A key feature of this quantum-inspired approximation is that it captures information from a tensor product space of dimension $(2d+1)^n$, generated from a collection of $2d + 1$ eigenfunctions of $W_τ$. Furthermore, the approximation is positivity preserving. The paper contains a theoretical convergence analysis of the method and numerical applications to two dynamical systems on the 2-torus: an ergodic torus rotation as an example with pure point Koopman spectrum and a Stepanoff flow as an example with topological weak mixing.

math.DS↗

arXiv2026

Mach-number-dependent dissipative anomaly in isothermal compressible turbulence

Using a comprehensive set of three-dimensional, high-resolution direct numerical simulations, we investigate the existence of a dissipative anomaly in isothermal, homogeneous, isotropic compressible turbulence driven by solenoidal forcing. We find that the total kinetic-energy dissipation rate, as well as its solenoidal and dilatational components, approaches finite asymptotic values with increasing Reynolds number $Re$. The normalized mean dissipation rates collapse onto two distinct branches: one corresponding to the subsonic and transonic regimes, with root-mean-square Mach numbers ($M_{\rm rms}\lesssim 1$), and another to the highly supersonic regime, with ($M_{\rm rms}\ge 3$). This two-branch Mach-number dependence is most pronounced for the total kinetic-energy dissipation. For the solenoidal and dilatational dissipation rate components, the dependence on $Re$ depends in addition on the specific choice of the integral scale and root-mean-square velocity. Despite grid resolutions of up to $2048^3$ points the Reynolds numbers accessible are not sufficiently large to distinguish conclusively between a weak and a strong dissipative anomaly. We substantiate these findings using three complementary approaches: (i) a detailed analysis of the mechanisms responsible for dissipation generation, based on the corresponding dissipation-rate balance equations and their individual production terms; (ii) an investigation of precursors of anomalous dissipation using the Duchon--Robert framework extended to compressible flows; and (iii) a geometrical characterization of regions of intense dissipation. Taken together, these analyses provide consistent evidence for the existence of a dissipative anomaly in isothermal compressible turbulence, while leaving its precise weak or strong character unresolved.

physics.flu-dyn↗

arXiv2026

Vortex promoters in MHD duct flow

We use 3D direct numerical simulations to study the effects of vortex promoters in liquid metal duct flow to sustain Q2D states which are formed in the presence of strong magnetic fields, such as those present in cooling blankets of fusion reactors. Both for electrically insulating and conducting walls. In case of insulating walls, disturbances are found to be sustained. For conducting walls, the disturbances may be extinguished immediately and replaced by a Walker- or Hunt-type flow with its own jet-detachment instability. Furthermore, we add heat transfer by imposing constant heat flux at the Shercliff walls. We classify and compare possible configurations with respect to their turbulent transport properties. For conducting ducts, no additional effect is observed. For insulating ducts in horizontal position, we observe a small effect. For vertical ducts, the buoyancy forces have a significant impact due to buoyancy-driven instabilities, which produce intermittent fluctuations. The analysis of the turbulent kinetic energy (TKE) and the Nusselt number show that flows with the largest TKE may not have the best heat transfer performance. This is caused by side jets removing heat faster than mixing the bulk flow. The buoyancy force and wall conductance ratio are found to play a key role in determining the flow structure. Part of our work is a parametric study at fixed Reynolds, Hartmann and Prandtl numbers, which allows us eventually to compose a phase diagram showcasing the different flow regimes.

physics.flu-dyn↗

arXiv2026

Lagrangian particles and particle clusters in large-aspect-ratio turbulent Rayleigh-Bénard convection experiment

We perform Lagrangian particle-tracking experiments in turbulent Rayleigh-Bénard convection at aspect ratio Gamma = 10, Rayleigh number Ra = 9.3 x 10^7, and Prandtl number Pr = 4.8. Approximately 50,000 neutrally buoyant particles are tracked for durations of up to 150 Kolmogorov times. The resulting trajectories are sufficiently long to capture the mean-square displacement of single particles from the short-time ballistic regime to the long-time diffusive regime. We further analyse Lagrangian velocity structure functions and particle-pair dispersion, both of which exhibit scaling behavior consistent with theoretical expectations in their respective temporal regimes. In the Richardson-like regime, the pair-dispersion exponent exceeds 3, most clearly in the lateral direction. Multi-particle statistics are investigated by analysing particle clouds with initial radii of approximately 8 and 20 Kolmogorov lengths using principal component analysis. The clouds spread more strongly in the lateral directions than in the vertical direction and deform from initially spherical shapes into oblate ellipsoids within approximately 10 Kolmogorov times, revealing pronounced anisotropic dispersion. The dynamics is identified from the particle-connectivity network through a spectral analysis of the graph Laplacian followed by k-means clustering. Furthermore, we examine the probability density functions of all three acceleration components and assess the statistical convergence of their second and fourth moments. The lateral acceleration components are more intermittent than the vertical component, as indicated by their heavier tails. Acceleration statistics conditioned on the bulk region are slightly less intermittent than those obtained over the full measurement volume, which we attribute to the highly intermittent plume-ejection and plume-aggregation events occurring near the walls.

physics.flu-dyn↗

arXiv2026

Circulation Statistics in Rayleigh-Bénard Convection

Important statistical properties of velocity circulation in homogeneous isotropic turbulence (HIT) have been unveiled in recent years, raising the question of whether they persist, or are modified, in other classes of turbulent flows. Motivated by the dominant role of small-scale structures in the circulation fluctuations of HIT, we investigate their relevance in direct numerical simulations of Rayleigh-Bénard convection at a Rayleigh number of $10^9$ and Prandtl number of $O(1)$. Within the thermal boundary layer (TBL), the distribution of elementary vortices is found to be strongly correlated with the temperature field, while the statistics of their core aspect ratios is significantly altered. Additionally, the probability distribution functions of circulation, computed for planar contours which are parallel to the walls, display salient features closely akin to those observed in HIT, with the {\it Area Rule} (a connection between circulation statistics and minimal surfaces) remaining particularly well satisfied -- except for a possible transitional region at a distance of a few TBL thicknesses. Away from the TBL, as expected, the overall statistical behavior of these structures likewise resembles that of HIT, where the intermittent spatial distribution of small vortex tubes is instead determined by the energy dissipation field.

physics.flu-dyn↗

arXiv2026

The potential of quantum computers for Particle Image Velocimetry

Particle Image Velocimetry (PIV) is the prime image-processing technique to measure and visualize velocity fields of laminar and turbulent flows. The velocity field vectors are obtained with sub-pixelaccuracy by analyzing cross-correlations, empowered by Fast Fourier Transforms (FFT). Here, we present a quantum algorithm with multidimensional quantum Fourier Transforms, termed Quantum-based PIV (QuPIV), to replace the classical computation of up to millions of velocity vectors. Our end-to-end quantum algorithm includes a novel state preparation, modified amplitude amplification, and the output extraction. We enhance amplitude amplification by a contracted ground-state projector, which allows a significant reduction of the number of gates in the quantum circuit. We justify the end-to-end capability with numerical studies on all stages of the algorithm on both synthetic and experimental data.

quant-ph↗

arXiv2026

Transition to dilatation-dominated isothermal compressible turbulence

The kinetic energy dissipation rate is of central importance for small-scale statistics in turbulent flows. Here, we report a transition to the dilatation-dominated regime of three-dimensional isothermal fully compressible, homogeneous, isotropic turbulence by moments of energy dissipation and its components up to order~4 for root-mean-square (rms) Mach numbers $0.1\le M_{\rm rms}\le 10$ and for Reynolds numbers $100\le Re\le 2400$. Our high-resolution numerical simulations show a crossover from incompressible to $M_{\rm rms}$--independent, Burgers turbulence-like scaling of energy dissipation rate moments with respect to Reynolds number $Re$. This confirms the statistical dominance of shocks for rms Mach numbers $M_{\rm rms}\gtrsim 1$.

physics.flu-dyn↗

arXiv2026

Quantum-enhanced Markov chain Monte Carlo sampling to model Lagrangian tracer dispersion in turbulent boundary layer

We present a quantum-enhanced Markov chain Monte Carlo (QE-MCMC) method to sample turbulent acceleration vectors from a joint target distribution that depends on all three components and height to model the transport and dispersion of massless Lagrangian tracer particles in two turbulent shear flows. A homogeneous shear flow, characterized by a uniform shear rate S, is considered as the starting point. Secondly, a turbulent boundary layer, which forms in both halves of a plane turbulent channel flow at friction Reynolds number Re_tau = 1000, is considered, where the mean shear rate S(y) varies with distance from the wall y. In this hybrid quantum-classical method, the proposal distribution Q for the first of two Metropolis-Hastings sampling substeps is constructed by a parametric quantum circuit. The algorithm generates synthetic tracer particle tracks. The resulting scaling laws for tracer-particle pair dispersion, a central quantity to probe turbulent mixing from a Lagrangian perspective, agree with a stochastic transport model consisting of coupled Langevin equations and with the classical MCMC counterpart. Differently from the classical sampling method, QE-MCMC uses a tempered target distribution. Due to the height dependence of the tracer dynamics in turbulent channel flow, an effective height-weighted spectral gap between the first and second eigenvalue of the Markov-chain transition matrix is introduced. The latter is found to significantly exceed the one of classical MCMC when sampling from a multivariate distribution with cross-correlations at the highest qubit numbers and thus resolutions. Consequently, our results support the applicability of this one-shot algorithm as a generative Lagrangian quantum-computing module, possibly embedded in a complex fluid-flow problem. Our module is found to work reliably for a relatively small number of qubits per spatial dimension of Nq <= 6.

physics.flu-dyn↗

arXiv2026

Lagrangian single-particle, multi-particle and topological analyses in turbulent Rayleigh-Bénard convection

We present three-dimensional direct numerical simulations of turbulent Rayleigh-Bénard convection (RBC) in the Lagrangian frame of reference for Rayleigh numbers $10^5 \leq Ra \leq 10^{10}$ and a Prandtl number $Pr=0.7$ in a plane layer at an aspect ratio $L:L:H=4:4:1$ with a horizontal length $L$ and height $H$. We use particle accelerations, Lagrangian heat transfer, $Q$-$R$ invariant topology, Lagrangian particle pair dispersion, scale-dependent Lagrangian eddy viscosity, and principal component analysis (PCA) of dense particle clouds to characterise convective transport along material trajectories. By computing particle accelerations at the integration time step and controlling spectral element method signatures, we obtain robust acceleration statistics and recover Heisenberg-Yaglom behaviour. Lagrangian heat transfer is extremely intermittent: individual massless Lagrangian particles can carry convective heat fluxes up to $500$ times the global Eulerian mean, although higher-order heat flux moments decrease toward Gaussian values with increasing $Ra$. The analysis of velocity gradient invariants in the $Q$-$R$ plane along trajectories identifies a distinct topological footprint of dust-devil-like convective vortices in the quadrant of $Q>0$, $R<0$, associated with vortex stretching, plume detachment, and intense localised heat transfer. Global unconditioned pair dispersion exhibits neither extended Richardson nor Bolgiano-Obukhov scaling plateaus. Rather, scale-dependent eddy viscosity and conditioned PCA of dense particle clouds reveal that buoyancy- and shear-driven dispersion are temporally organised: rapid plume-driven ejection produces a short $t^5$-like episode, followed by sustained Richardson-like $t^3$-scaling. Thus, Lagrangian topology and cloud geometry provide mechanism-resolving diagnostics for active-scalar turbulence beyond RBC-specific global scaling laws.

physics.flu-dyn↗

arXiv2026

Influence of plume activity on thermal convection in a rectangular cell

We present three-dimensional direct numerical simulations of turbulent Rayleigh-Bénard convection in a closed rectangular box whose width $L_y$ and length $L_x$ are 0.8 and 2.4 times the height $H$, respectively. The Rayleigh number $Ra$ varies from $10^5$ to $10^{10}$, and the Prandtl number is unity. The advantages of the present configuration are: (a) A relatively stable unidirectional large-scale circulation, consisting of two counter-rotating rolls, fills the cell and fixes the thermal plume ejection- and shear-dominated regions, in contrast to those in closed cylindrical cells. (b) The regions of plume ejection are essentially independent of the sidewalls so that their autonomous existence can be studied. This is because there is some space, or "fetch", for the velocity and thermal boundary layers to develop along the length. (c) This geometry allows one to study the influence of locally thin and thick boundary layers (which follow larger or smaller plume activity) on the scaling of convection properties. In regions of larger plume activity (defined by an incessant movement of plumes), the temperature fluctuation as well as the normalised thermal and viscous dissipation rates decay more slowly with $Ra$ than in regions of lower activity. Both viscous and thermal boundary layers thin down rapidly with increasing distance from the plume ejection region. The local thicknesses of both boundary layers decline more rapidly with $Ra$ in the ejection region than in regions of impact and shear, where they are similar to each other. Despite these details, the global heat transport laws are practically the same as those in other configurations of low to moderate aspect ratios.

physics.flu-dyn↗

arXiv2026

Heat transport in magnetohydrodynamic duct flow regimes with conducting and insulating walls

The flow of a liquid metal (LM) in a rectangular duct segment, subject to a uniform transverse magnetic field and uniform heating at the side walls is explored in an ample parameter space using Direct Numerical Simulation (DNS). We modify electrical wall conductivity, (either highly conducting or perfectly insulating) and investigate the effects of the buoyancy force, both in horizontally and vertically orientated ducts. In the latter case, it may be directed either with the flow or against the flow, creating backflow regions. In this parameter space and with the presence of vortex promoters at the inlet of the duct we identify $4$ types of flow. We calculate the Nusselt number $Nu(t)$ for each of them and study the statistical properties to compare their heat transfer capabilities in future fusion reactor blankets.

physics.flu-dyn↗

arXiv2025

Plane-layer Rayleigh-Bénard convection up to $Ra=10^{11}$: Near-wall fluctuations and role of initial conditions

We study turbulent Rayleigh-Bénard convection through direct numerical simulations in a three-dimensional plane layer of aspect ratio 4 for Rayleigh numbers $10^5 \leq Ra \leq 10^{11}$ and Prandtl number $Pr=0.7$. We summarize the height-dependent statistics of velocity and temperature fluctuations and corresponding scalings with the Rayleigh number. We include an analysis on the role of coherent and incoherent flow regions near the wall for global heat transfer. Furthermore, we investigate the dependence of turbulent transport on a finite-amplitude sinusoidal shear flow added at time $t=0$, which either freely decays in a long transient or remains existent when a steady sinusoidal volume forcing is added. In the latter case, weak logarithmic near-wall layers are formed, however, with von Kármán and offset constants that differ from standard values. The typical magnitude of both coefficients, and thus a full turbulent boundary layer of velocity and temperature, is re-established only for a switch from sinusoidal to constant pressure gradient driving of the flow. In all cases, except for the constant pressure gradient-driven flow, no enhancement of global turbulent heat and momentum transfer within error bars is detected, even though the sinusoidal amplitude is of the order of the characteristic free-fall velocity.

physics.flu-dyn↗

arXiv2025

Prediction performance of random reservoirs with different topology for nonlinear dynamical systems with different number of degrees of freedom

Reservoir computing (RC) is a powerful framework for predicting nonlinear dynamical systems, yet the role of reservoir topology$-$particularly symmetry in connectivity and weights$-$remains not adequately understood. This work investigates how the structure of the network influences the performance of RC in four systems of increasing complexity: the Mackey-Glass system with delayed-feedback, two low-dimensional thermal convection models, and a three-dimensional shear flow model exhibiting transition to turbulence. Using five reservoir topologies in which connectivity patterns and edge weights are controlled independently, we evaluate both direct- and cross-prediction tasks. The results show that symmetric reservoir networks substantially improve prediction accuracy for the convection-based systems, especially when the input dimension is smaller than the number of degrees of freedom. In contrast, the shear-flow model displays almost no sensitivity to topological symmetry due to its strongly chaotic high-dimensional dynamics. These findings reveal how structural properties of reservoir networks affect their ability to learn complex dynamics and provide guidance for designing more effective RC architectures.

physics.flu-dyn↗

arXiv2025

Spectral quantum algorithm for passive scalar transport in shear flows

The mixing of scalar substances in fluid flows by stirring and diffusion is ubiquitous in natural flows, chemical engineering, and microfluidic drug delivery. Here, we present a spectral quantum algorithm for scalar mixing by solving the advection-diffusion equation in a quantum computational fluid dynamics framework. The exact gate decompositions of the advection and diffusion operators in spectral space are derived. For all but the simplest one-dimensional flows, these operators do not commute. Therefore, we use operator splitting to construct quantum circuits capable of simulating arbitrary polynomial velocity profiles in multiple dimensions, such as the Blasius profile of a laminar boundary layer. Periodic, Neumann, and Dirichlet boundary conditions can be imposed with the appropriate quantum spectral transform. We evaluate the approach in statevector simulations of a Couette flow, plane Poiseuille flow, and a polynomial Blasius profile approximation. For an advection-diffusion problem in one dimension, we compare the time evolution of an ideal quantum simulation with those of real quantum computers with superconducting and trapped-ion qubits. The required number of two-qubit gates grows with the logarithm of the number of grid points raised to one higher power than the order of the polynomial velocity profile.

quant-ph↗

arXiv2025

Transient almost-invariant sets reveal convective heat transfer patterns in plane-layer Rayleigh-Bénard convection

Horizontally extended plane-layer convection flows are characterized by characteristic patterns of turbulent heat transfer due to the convective fluid motion consisting of a nearly-regular ridge network where hot fluid rises and cold fluid sinks. Here, we analyse this transport behavior by the so-called inflated generator framework, which identifies quasi-stationary families of almost-invariant sets, derived from leading inflated generator eigenvectors. We demonstrate the effectiveness of this data-driven analysis framework in three-dimensional turbulent flow, by extracting transient characteristic heat transfer patterns as families of almost-invariant sets subject to a transient evolution, which contribute least to the convective heat transfer.

physics.flu-dyn↗

arXiv2025

Extending the Duchon-Robert framework for anomalous dissipation to compressible fluid flows

Anomalous dissipation, the persistence of a finite mean kinetic energy dissipation as the Reynolds number tends to infinity, occurs in flows with sufficiently spatially rough velocity fields. Compressible turbulence adds further anomalous dissipation mechanisms, which we investigate in this work. To this end, the Duchon-Robert framework (DR) for anomalous dissipation is extended from the incompressible to the compressible Navier-Stokes flow case. We obtain three integral dissipation terms, two anomalous and a viscous one, which arise from the pressure-dilatation and density variations, differently from the incompressible case. Subsequently, fully compressible one-dimensional flows with traveling and mutually crossing shock waves are analysed in detail. In such flows, DR reveals a local maximum of anomalous dissipation at the shock front. Furthermore, DR is compared with a coarse-grain cascade theory of compressible turbulence due to Aluie (AL) and the relevant dissipation flux terms of both frameworks are identified and compared with each other. The comparison shows that each contribution related to the compressibility effects in DR has its analogue in AL. Finally, a piecewise linear shock-type velocity profile, which approximates the crossing of two shock waves from the simulations, is used for an analytical analysis of the anomalous dissipation terms of DR to analyse the dependence of the terms on the local Hölder exponent. Our work is a first step towards a comparison of coherent flow structures in a compressible turbulent flow and related anomalous dissipation.

physics.flu-dyn↗

arXiv2025

Numerical solution of nonlinear Schrödinger equation by a hybrid pseudospectral-variational quantum algorithm

The time-dependent one-dimensional nonlinear Schrödinger equation (NLSE) is solved numerically by a hybrid pseudospectral-variational quantum algorithm that connects a pseudospectral step for the Hamiltonian term with a variational step for the nonlinear term. The Hamiltonian term is treated as an integrating factor by forward and backward Fourier transformations, which are here carried out classically. This split allows us to avoid higher-order time integration schemes, to apply a first-order explicit time stepping for the remaining nonlinear NLSE term in a variational algorithm block, and thus to avoid numerical instabilities. We demonstrate that the analytical solution is reproduced with a small root mean square error for a long time interval over which a nonlinear soliton propagates significantly forward in space while keeping its shape. We analyze the accuracy of the quantum algorithm and compare it with classical approaches. Furthermore, we investigate the influence of algorithm parameters on the accuracy of the results, including the temporal step width and the depth of the quantum circuit.

quant-ph↗