arXiv subjects

Thomas Rung

Publications and source records attributed to Thomas Rung.

At least 19 recordsLinked to original sources

arXiv2026

A Modified Moving Reference Frame Method for Propeller Resolution

Accurate resolution of propeller-hull interaction is essential for predicting the self-propulsion point in ship CFD, yet motion-resolving methods such as sliding interfaces (SI) are computationally expensive, while the classical Moving Reference Frame (MRF) approach cannot capture unsteady interaction effects. Partially rotating grid methods bridge this gap by splitting the propeller rotation into a grid-resolved and an MRF component, but the abrupt transition between the rotating and stationary domains introduces discontinuities in the velocity field. This work presents a modified MRF (mMRF) formulation in which the reference-frame rotation rate is scaled by a spatially varying function that decays smoothly from unity near the propeller to zero at the domain interface, restoring velocity and pressure continuity across the boundary. The governing equations are derived and implemented in the RANS solver FreSCo$^+$, verified against the analytical Taylor--Couette solution, and applied to open-water propeller and Japan Bulk Carrier self-propulsion simulations at model scale. Both MRF and mMRF reproduce the principal integral propulsion quantities ($n$, $K_{\mathrm{T}}$, $K_{\mathrm{Q}}$, $1-t$, $1-w_{\mathrm{T}}$, $\eta_{\mathrm{R}}$) accurately, but the mMRF markedly reduces interface discontinuities and non-physical artifacts in the local flow field, particularly at large MRF fractions, at essentially the same computational cost.

physics.flu-dyn↗

arXiv2026

Operator Learning for efficient Quantum Computation

An efficient implementation of quantum algorithms is often hindered by the lack of efficient primitives for operators and state preparation. This limits both the ability of near-term quantum hardware to simulate complex problems and the potential of fault-tolerant algorithms to achieve practical quantum advantage. To address this, we propose a full-stack variational framework that transforms arbitrary operators to compact quantum circuits. The resulting variational circuits can be tailored to the connectivity and long-range interaction of the target hardware. The learning process employs backpropagation together with a cost function that efficiently optimizes unitary operators and non-unitary -- dense or sparse -- operators using only a single ancilla qubit for block encoding. Additionally, we introduce a regularization term that reduces the approximation error. The approach is validated for both quantum mechanical and engineering applications. In the former case, we learn propagators that arise in native quantum problems -- such as quantum simulation and quantum chemistry -- and achieve improved resource scaling in comparison to standard Suzuki-Trotter expansions. In the latter case, we demonstrate the approach's ability to implement the second-order central finite difference approximation of the Laplace operator -- relevant for solving partial differential equations -- while improving upon current error metrics. The final example deals with learning a dense, non-unitary operator that arises in the analysis of inviscid potential flow around an airfoil. This universality of the framework opens the door for solving general problems beyond prototypical engineering and quantum applications.

quant-ph↗

arXiv2026

Conditional Neural Field based Reduced Order Model for Dynamic Ditching Load Prediction

Grid-based neural networks such as convolutional autoencoders are widely used in dimension reduction-based surrogate models for computational fluid dynamics. In recent years, the use of coordinate-based approaches like conditional neural fields has emerged. Their independence of the spatial discretization is a beneficial feature for various applications in computational fluid dynamics. This paper discusses the spatio-temporal prediction of aircraft ditching loads using a conditional neural field approach. The model is evaluated using two datasets for the dynamic loads of the fuselage of a DLR-D150 aircraft, one of which relates to a single fixed spatial discretization and the other that includes data from different discretizations. When paired with a long short-term memory (LSTM) network in the latent space, the neural field-based model achieves a spatio-temporal prediction accuracy for the first data set that is close to that of grid-dependent convolutional autoencoder-based models, and with significantly less parameters. Results for the second data set demonstrate the ability of the neural field-based approach to reconstruct ditching loads accurately for heterogeneous spatial discretizations. This allows for flexible use of training datasets generated for different geometries and/or discretizations, as well as the use of the surrogate model to predict loads for different configurations.

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arXiv2026

Adjoint-based shape optimization of a ship hull using a Conditional Variational Autoencoder (CVAE) assisted propulsion surrogate model

Adjoint-based shape optimization of ship hulls is a powerful tool for addressing high-dimensional design problems in naval architecture, particularly in minimizing the ship resistance. However, its application to vessels that employ complex propulsion systems introduces significant challenges. They arise from the need for transient simulations extending over long periods of time with small time steps and from the reverse temporal propagation of the primal and adjoint solutions. These challenges place considerable demands on the required storage and computing power, which significantly hamper the use of adjoint methods in the industry. To address this issue, we propose a machine learning-assisted optimization framework that employs a Conditional Variational Autoencoder-based surrogate model of the propulsion system. The surrogate model replicates the time-averaged flow field induced by a Voith Schneider Propeller and replaces the geometrically and time-resolved propeller with a data-driven approximation. Primal flow verification examples demonstrate that the surrogate model achieves significant computational savings while maintaining the necessary accuracy of the resolved propeller. Optimization studies show that ignoring the propulsion system can yield designs that perform worse than the initial shape. In contrast, the proposed method produces shapes that achieve more than an 8\% reduction in resistance.

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arXiv2025

Quantum time-marching algorithms for solving linear transport problems including boundary conditions

This article presents the first complete application of a quantum time-marching algorithm for simulating multidimensional linear transport phenomena with arbitrary boundaries, whereby the success probabilities are problem intrinsic. The method adapts the linear combination of unitaries algorithm to block encode the diffusive dynamics, while arbitrary boundary conditions are enforced by the method of images only at the cost of one additional qubit per spatial dimension. As an alternative to the non-periodic reflection, the direct encoding of Neumann conditions by the unitary decomposition of the discrete time-marching operator is proposed. All presented algorithms indicate optimal success probabilities while maintaining linear time complexity, thereby securing the practical applicability of the quantum algorithm on fault-tolerant quantum computers. The proposed time-marching method is demonstrated through state-vector simulations of the heat equation in combination with Neumann, Dirichlet, and mixed boundary conditions.

quant-ph↗

arXiv2025

Quantum-Inspired Tensor-Network Fractional-Step Method for Incompressible Flow in Curvilinear Coordinates

We introduce an algorithmic framework based on tensor networks for computing fluid flows around immersed objects in curvilinear coordinates. We show that the tensor network simulations can be carried out solely using highly compressed tensor representations of the flow fields and the differential operators and discuss the numerical implementation of the tensor operations required for computing fluid flows in detail. The applicability of our method is demonstrated by applying it to the paradigm example of steady and transient flows around stationary and rotating cylinders. We find excellent quantitative agreement in comparison to finite difference simulations for Strouhal numbers, forces and velocity fields. The properties of our approach are discussed in terms of reduced order models. We estimate the memory saving and potential runtime advantages in comparison to standard finite difference simulations. We find accurate results with errors of less than 0.3% for flow-field compressions by a factor of up to 20 and differential operators compressed by factors of up to 1000 compared to sparse matrix representations. We provide strong numerical evidence that the runtime scaling advantages of the tensor network approach with system size will provide substantial resource savings when simulating larger systems. Finally, we note that, like other tensor network-based fluid flow simulations, our algorithmic framework is directly portable to a quantum computer leading to further scaling advantages.

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arXiv2025

Data-driven pressure field prediction for ships in regular sea states

Merchant shipping is responsible for more than 90% of the global trade and has a significant environmental impact, accounting for over 2% of global greenhouse gas emissions. Therefore, fuel-saving measures are becoming increasingly important in reducing the ecological footprint and increasing the fuel efficiency of maritime transport. Routing optimization systems, which require a rapid prediction of ambient-dependent fuel consumption, represent an essential pillar here, e.g. to reduce added resistances due to seaways and/or wind. The paper aims to predict the added resistance due to seaways. In contrast to conventional methods the goal is achieved by surrogate modeling of the entire pressure fields. To this end, an online/offline-procedure is applied to an exemplarily free-floating container vessel. The online approach to be trained consists of two building blocks, namely a convolutional autoencoder (CAE)-based order reduction step and a neural network-based (NN) regression step that links the reduced space of the autoencoder with three control parameters that describe the sea state (wave height/steepness, encounter angle and wave length). Training data is obtained from time-averaged values for simulating instantaneous ship motion and pressure fields. During the offline phase, the combined CAE/NN is trained to capture the time-averaged pressure fields for a variety of sea-state conditions. During ship operation (online phase), the surrogate model predicts the three-dimensional pressure fields in response to sea state conditions, projects the pressure fields onto the ship hull, and integrates the corresponding resistances to guide the route. The evaluation of the method shows promising results for the different building blocks and the concept could therefore represent an attractive approach for cost-effective surrogate modeling of complex multiphase flow fields.

physics.flu-dyn↗

arXiv2025

Disentangled Latent Spaces for Reduced Order Models using Deterministic Autoencoders

Data-driven reduced-order models based on autoencoders generally lack interpretability compared to classical methods such as the proper orthogonal decomposition. More interpretability can be gained by disentangling the latent variables and analyzing the resulting modes. For this purpose, probabilistic $\beta$-variational autoencoders ($\beta$-VAEs) are frequently used in computational fluid dynamics and other simulation sciences. Using a benchmark periodic flow dataset, we show that competitive results can be achieved using non-probabilistic autoencoder approaches that either promote orthogonality or penalize correlation between latent variables. Compared to probabilistic autoencoders, these approaches offer more robustness with respect to the choice of hyperparameters entering the loss function. We further demonstrate the ability of a non-probabilistic approach to identify a reduced number of active latent variables by introducing a correlation penalty, a function also known from the use of $\beta$-VAE. The investigated probabilistic and non-probabilistic autoencoder models are finally used for the dimensionality reduction of aircraft ditching loads, which serves as an industrial application in this work.

cs.LG↗

arXiv2025

Incremental Model Order Reduction of Smoothed-Particle Hydrodynamic Simulations

Engineering simulations are usually based on complex, grid-based, or mesh-free methods for solving partial differential equations. The results of these methods cover large fields of physical quantities at very many discrete spatial locations and temporal points. Efficient compression methods can be helpful for processing and reusing such large amounts of data. A compression technique is attractive if it causes only a small additional effort and the loss of information with strong compression is low. The paper presents the development of an incremental Singular Value Decomposition (SVD) strategy for compressing time-dependent particle simulation results. The approach is based on an algorithm that was previously developed for grid-based, regular snapshot data matrices. It is further developed here to process highly irregular data matrices generated by particle simulation methods during simulation. Various aspects important for information loss, computational effort and storage requirements are discussed, and corresponding solution techniques are investigated. These include the development of an adaptive rank truncation approach, the assessment of imputation strategies to close snapshot matrix gaps caused by temporarily inactive particles, a suggestion for sequencing the data history into temporal windows as well as bundling the SVD updates. The simulation-accompanying method is embedded in a parallel, industrialized Smoothed-Particle Hydrodynamics software and applied to several 2D and 3D test cases. The proposed approach reduces the memory requirement by about 90% and increases the computational effort by about 10%, while preserving the required accuracy. For the final application of a water turbine, the temporal evolution of the force and torque values for the compressed and simulated data is in excellent agreement.

physics.flu-dyn↗

arXiv2024

Towards Variational Quantum Algorithms for generalized linear and nonlinear transport phenomena

This article proposes a Variational Quantum Algorithm to solve linear and nonlinear thermofluid dynamic transport equations. The hybrid classical-quantum framework is applied to problems governed by the heat, wave, and Burgers' equation in combination with different engineering boundary conditions. Topics covered include the encoding of band matrices, as in the consideration of non-constant material properties and upwind-biased first- and higher-order approximations, widely used in engineering Computational Fluid Dynamics, by the use of a mask function. Verification examples demonstrate high predictive agreement with classical methods. Furthermore, the scalability analysis shows a polylog scaling of the number of quantum gates with the number of qubits. Remaining challenges refer to the implicit construction of upwind schemes and the identification of an appropriate parameterization strategy of the quantum ansatz.

quant-ph↗

arXiv2024

Monolithic 3D numerical modeling of granular cargo movement on bulk carriers in waves

A novel monolithic approach for simulating vessels in waves with granular cargo is presented using a Finite Volume framework. This model integrates a three-phase Volume of Fluid method to represent air, water, and cargo, coupled with a granular material model. The approach incorporates vessel dynamics by assuming rigid-body motion for the vessel's empty hull. A three degrees of freedom rigid-body motion solver is applied for a 3D case study. The model also includes inviscid far-field boundary conditions facilitating the generation of linear waves approaching the vessel and applies a rigid-perfectly plastic material model for the granular phase. The model's efficacy is demonstrated through a validation of the three-phase Volume of the Fluid method, a verification of the granular material model, and finally, a reconstruction of the "Jian Fu Star" incident in a fully 3D simulation. This integrated approach is a feasibility study for investigating bulk carrier accidents, offering a powerful tool for maritime safety analysis and design optimization.

physics.flu-dyn↗

arXiv2024

Quantum Algorithm for the Advection-Diffusion Equation by Direct Block Encoding of the Time-Marching Operator

A quantum algorithm for simulating multidimensional scalar transport problems using a time-marching strategy is presented. A direct unitary block encoding of the explicit time-marching operator is constructed, resulting in the intrinsic success probability of the squared solution norm without the need for amplitude amplification, thereby retaining a linear dependence on the simulation time. The algorithm separates the explicit time-marching operator into an advection-like component and a corrective shift operator. The advection-like component is mapped to a Hamiltonian simulation and combined with the shift operator through the linear combination of unitaries algorithm. State-vector simulations of a scalar transported in a steady two-dimensional Taylor-Green vortex support the theoretical findings.

quant-ph↗

arXiv2024

Boundary Treatment for Variational Quantum Simulations of Partial Differential Equations on Quantum Computers

The paper presents a variational quantum algorithm to solve initial-boundary value problems described by second-order partial differential equations. The approach uses hybrid classical/quantum hardware that is well suited for quantum computers of the current noisy intermediate-scale quantum era. The partial differential equation is initially translated into an optimal control problem with a modular control-to-state operator (ansatz). The objective function and its derivatives required by the optimizer can efficiently be evaluated on a quantum computer by measuring an ancilla qubit, while the optimization procedure employs classical hardware. The focal aspect of the study is the treatment of boundary conditions, which is tailored to the properties of the quantum hardware using a correction technique. For this purpose, the boundary conditions and the discretized terms of the partial differential equation are decomposed into a sequence of unitary operations and subsequently compiled into quantum gates. The accuracy and gate complexity of the approach are assessed for second-order partial differential equations by classically emulating the quantum hardware. The examples include steady and unsteady diffusive transport equations for a scalar property in combination with various Dirichlet, Neumann, or Robin conditions. The results of this flexible approach display a robust behavior and a strong predictive accuracy in combination with a remarkable polylog complexity scaling in the number of qubits of the involved quantum circuits. Remaining challenges refer to adaptive ansatz strategies that speed up the optimization procedure.

quant-ph↗

arXiv2024

Machine Learning based Prediction of Ditching Loads

We present approaches to predict dynamic ditching loads on aircraft fuselages using machine learning. The employed learning procedure is structured into two parts, the reconstruction of the spatial loads using a convolutional autoencoder (CAE) and the transient evolution of these loads in a subsequent part. Different CAE strategies are assessed and combined with either long short-term memory (LSTM) networks or Koopman-operator based methods to predict the transient behaviour. The training data is compiled by an extension of the momentum method of von-Karman and Wagner and the rationale of the training approach is briefly summarised. The application included refers to a full-scale fuselage of a DLR-D150 aircraft for a range of horizontal and vertical approach velocities at 6{\deg} incidence. Results indicate a satisfactory level of predictive agreement for all four investigated surrogate models examined, with the combination of an LSTM and a deep decoder CAE showing the best performance.

cs.LG↗

arXiv2024

A two-phase Volume of Fluid approach to model rigid-perfectly plastic granular materials

Granular flow problems characterized by large deformations are widespread in various applications, including coastal and geotechnical engineering. The paper deals with the application of a rigid-perfectly plastic two-phase model extended by the Drucker-Prager yield criterion to simulate granular media with a finite volume flow solver (FV). The model refers to the combination of a Bingham fluid and an Eulerian strain measure to assess the failure region of granular dam slides. A monolithic volume-of-fluid (VoF) method is used to distinguish between the air and granular phases, both governed by the incompressible Navier-Stokes equations. The numerical framework enables modeling of large displacements and arbitrary shapes for large-scale applications. The displayed validation and verification focuses on the rigid-perfectly plastic material model for non-cohesive and cohesive materials with varying angles of repose. Results indicate a good agreement of the predicted soil surface and strain results with experimental and numerical data.

physics.flu-dyn↗

arXiv2023

Parameter-free shape optimization: various shape updates for engineering applications

In the last decade, parameter-free approaches to shape optimization problems have matured to a state where they provide a versatile tool for complex engineering applications. However, sensitivity distributions obtained from shape derivatives in this context cannot be directly used as a shape update in gradient-based optimization strategies. Instead, an auxiliary problem has to be solved to obtain a gradient from the sensitivity. While several choices for these auxiliary problems were investigated mathematically, the complexity of the concepts behind their derivation has often prevented their application in engineering. This work aims at an explanation of several approaches to compute shape updates from an engineering perspective. We introduce the corresponding auxiliary problems in a formal way and compare the choices by means of numerical examples. To this end, a test case and exemplary applications from computational fluid dynamics are considered.

cs.CE↗

arXiv2023

An Incremental Singular Value Decomposition Approach for Large-Scale Spatially Parallel & Distributed but Temporally Serial Data -- Applied to Technical Flows

The paper presents a strategy to construct an incremental Singular Value Decomposition (SVD) for time-evolving, spatially 3D discrete data sets. A low memory access procedure for reducing and deploying the snapshot data is presented. Considered examples refer to Computational Fluid Dynamic (CFD) results extracted from unsteady flow simulations, which are computed spatially parallel using domain decomposition strategies. The framework addresses state of the art PDE-solvers dedicated to practical applications. Although the approach is applied to technical flows, it is applicable in similar applications under the umbrella of Computational Science and Engineering (CSE). To this end, we introduce a bunch matrix that allows the aggregation of multiple time steps and SVD updates, and significantly increases the computational efficiency. The incremental SVD strategy is initially verified and validated by simulating the 2D laminar single-phase flow around a circular cylinder. Subsequent studies analyze the proposed strategy for a 2D submerged hydrofoil located in turbulent two-phase flows. Attention is directed to the accuracy of the SVD-based reconstruction based on local and global flow quantities, their physical realizability, the independence of the domain partitioning, and related implementation aspects. Moreover, the influence of lower and (adaptive) upper construction rank thresholds on both the effort and the accuracy are assessed. The incremental SVD process is applied to analyze and compress the predicted flow field around a Kriso container ship in harmonic head waves at Fn = 0.26 and ReL = 1.4E+07. With a numerical overhead of O(10%), the snapshot matrix of size O(R10E+08 x 10E+04) computed on approximately 3000 processors can be incrementally compressed by O(95%). The storage reduction is accompanied by errors in integral force and local wave elevation quantities of O(1E-02%).

cs.MS↗

arXiv2022

Two-Phase Flow Simulations of Surface Waves in Wind-Forced Conditions

The paper is devoted to two-phase flow simulations and investigates the ability of a diffusive interface Cahn-Hilliard Volume-of-Fluid model to capture the dynamics of the air-sea interface at geophysically relevant Reynolds numbers. It employs a hybrid filtered/averaging Improved Detached Eddy Simulation method to model turbulence, and utilizes a continuum model to account for surface tension if the diffuse interface is under-resolved by the grid. A numerical wind-wave tank is introduced to limit computational costs and results obtained for two wind-wave conditions are analyzed in comparison to experimental data at matched Reynolds numbers. The focus of the comparison is on both time-averaged and wave-coherent quantities, and includes pressure, velocity as well as modeled and resolved Reynolds stresses. In general, numerical predictions agree well with the experimental measurements and reproduce many wave-dependent flow features. Reynolds stresses near the water surface are found to be especially important in modulating the critical layer height. It is concluded that the diffusive interface approach proves to be a promising method for future studies of air-sea interface dynamics in geophysically relevant flows.

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