arXiv subjects

Wolfgang A. Wall

Publications and source records attributed to Wolfgang A. Wall.

At least 55 records · Page 3Linked to original sources

arXiv2022

Quantitative analysis of thin metal powder layers via transmission X-ray imaging and discrete element simulation: Blade-based spreading approaches

Spreading uniform and dense layers is of paramount importance to creating high-quality components using powder bed additive manufacturing (AM). Blade-like tools are often employed for spreading powder metal feedstocks, especially in laser powder bed fusion and electron beam melting, where powders are characterized by a D50 of 30 microns or greater. Along with variations in boundary conditions introduced by the layer-wise geometry and surface topography of the printed component, stochastic interactions between the spreading tool and powder result in spatial variations of layer quality that are still not well understood. Here, to study powder spreading under conditions representative of powder bed AM, we employ a modular, mechanized apparatus to create powder layers from moderately and highly cohesive powders with a selection of blade-like spreading tools. Powder layer effective depth is spatially mapped using transmission X-ray imaging, and uniformity is quantified via a statistical approach. We first compare layer density, or the effective depth of powder layer, and show that blade geometries with a curved profile lead to increased material deposition. Second, this approach enables quantification of local fluctuations, or layer defect severity. For example, we observe that the primary benefit of a V-shaped rubber blade, as compared to a 45 degree rigid blade, lies in enabling local deflection of the blade edge to eliminate streaking from large particles, while also increasing deposition. Additionally, we employ a custom DEM simulation to elucidate the opposing roles of particle density and surface energy with a pseudo-material approach, where the balance of inertial and cohesive forces determine macro-scale powder flowability. For specific alloy densities, we find a critical surface energy beyond which layer density is greatly impaired when powder spreading is performed using a blade.

physics.app-ph↗

arXiv2022

A Generalized Probabilistic Learning Approach for Multi-Fidelity Uncertainty Propagation in Complex Physical Simulations

Two of the most significant challenges in uncertainty quantification pertain to the high computational cost for simulating complex physical models and the high dimension of the random inputs. In applications of practical interest, both of these problems are encountered, and standard methods either fail or are not feasible. To overcome the current limitations, we present a generalized formulation of a Bayesian multi-fidelity Monte-Carlo (BMFMC) framework that can exploit lower-fidelity model versions in a small data regime. The goal of our analysis is an efficient and accurate estimation of the complete probabilistic response for high-fidelity models. BMFMC circumvents the curse of dimensionality by learning the relationship between the outputs of a reference high-fidelity model and potentially several lower-fidelity models. While the continuous formulation is mathematically exact and independent of the low-fidelity model's accuracy, we address challenges associated with the small data regime (i.e., only a small number of 50 to 300 high-fidelity model runs can be performed). Specifically, we complement the formulation with a set of informative input features at no extra cost. Despite the inaccurate and noisy information that some low-fidelity models provide, we demonstrate that accurate and certifiable estimates for the quantities of interest can be obtained for uncertainty quantification problems in high stochastic dimensions, with significantly fewer high-fidelity model runs than state-of-the-art methods for uncertainty quantification. We illustrate our approach by applying it to challenging numerical examples such as Navier-Stokes flow simulations and fluid-structure interaction problems.

cs.CE↗

arXiv2022

Analytical disk-cylinder interaction potential laws for the computational modeling of adhesive, deformable (nano)fibers

The analysis of complex fibrous systems or materials on the micro- and nanoscale, which have a high practical relevance for many technical or biological systems, requires accurate analytical descriptions of the adhesive and repulsive forces acting on the fiber surfaces. While such analytical expressions are generally needed both for theoretical studies and for computer-based simulations, the latter motivates us here to derive disk-cylinder interaction potential laws that are valid for arbitrary mutual orientations in the decisive regime of small surface separations. The chosen type of fundamental point-pair interaction follows the simple Lennard-Jones model with inverse power laws for both the adhesive van der Waals part and the steric, repulsive part. We present three different solutions, ranging from highest accuracy to the best trade-off between simplicity of the expression and sufficient accuracy for our intended use. The validity of simplifying approximations and the accuracy of the derived potential laws is thoroughly analyzed, using both numerical and analytical reference solutions for specific interaction cases. Most importantly, the correct asymptotic scaling behavior in the decisive regime of small separations is achieved, and also the theoretically predicted $(1\!/\!\sin\!α)$-angle dependence (for non-parallel cylinders) is obtained by the proposed analytical solutions. As we show in the outlook to our current research, the derived analytical disk-cylinder interaction potential laws may be used to formulate highly efficient computational models for the interaction of arbitrarily curved fibers, such that the disk represents the cross-section of the first and the cylinder a local approximation to the shape of the second fiber.

cs.CE↗

arXiv2022

Asymptotically consistent and computationally efficient modeling of short-ranged molecular interactions between curved slender fibers undergoing large 3D deformations

This article proposes a novel computational modeling approach for short-ranged molecular interactions between curved slender fibers undergoing large 3D deformations, and gives a detailed overview how it fits into the framework of existing fiber or beam interaction models, either considering microscale molecular or macroscale contact effects. The direct evaluation of a molecular interaction potential between two general bodies in 3D space would require to integrate molecule densities over two 3D volumes, leading to a sixfold integral to be solved numerically. By exploiting the short-range nature of the considered class of interaction potentials as well as the fundamental kinematic assumption of undeformable fiber cross-sections, as typically applied in mechanical beam theories, a recently derived, closed-form analytical solution is applied for the interaction potential between a given section of the first fiber (slave beam) and the entire second fiber (master beam). This novel approach based on a pre-defined section-beam interaction potential (SBIP) requires only one single integration step along the slave beam length to be performed numerically. In terms of accuracy, the total beam-beam interaction potential resulting from this approach is shown to exhibit an asymptotically consistent angular and distance scaling behavior. In addition to elementary two-fiber systems, carefully chosen to verify accuracy and asymptotic consistence of the proposed SBIP approach, a potential practical application in form of adhesive nanofiber-grafted surfaces is studied. Involving a large number of helicoidal fibers undergoing large 3D deformations, arbitrary mutual fiber orientations as well as frequent local fiber pull-off and snap-into-contact events, this example demonstrates the robustness and computational efficiency of the new approach.

cs.CE↗

arXiv2022

Generalized Section-Section Interaction Potentials in the Geometrically Exact Beam Theory: Modeling of Intermolecular Forces, Asymptotic Limit as Strain-Energy Function, and Formulation of Rotational Constraints

The present contribution proposes a universal framework to formulate generalized section-section interaction potentials (SSIP) within the geometrically exact beam theory. By exploiting the fundamental kinematic assumption of undeformable cross-sections, an objective (i.e., frame-invariant) description of SSIPs via a minimal set of six (translational and rotational) relative coordinates, either in spatial or in material form, is proposed. Based on work-pairing, work-conjugated section-section interaction forces and moments, either in spatial or in material form, are identified that can be consistently derived from a variational principle. Interestingly, it is shown that hyperelastic stored-energy functions relating the deformation measures and stress-resultants of the well-known geometrically exact Simo-Reissner beam theory can also be identified as SSIPs when considering the asymptotic limit of small relative distances and rotations between the interacting cross-sections. Moreover, the proposed variational problem formulation is demonstrated to be of a very general nature, thus allowing for the formulation of translational and rotational constraints between arbitrarily oriented cross-sections based on either a penalty or a Lagrange multiplier potential. Possible applications include fiber-based structures and materials in technical and biological systems, where the proposed approach allows to model short- or long-ranged inter-molecular (e.g., electrostatic, van der Waals or repulsive steric) interactions between fibers in geometrically complex arrangements and to formulate translational and rotational coupling constraints between different fibers (e.g., cross-linked polymer chains) or between fibers and a matrix phase (e.g., fiber-reinforced composites).

physics.class-ph↗

arXiv2022

Global sensitivity analysis based on Gaussian-process metamodelling for complex biomechanical problems

Biomechanical models often need to describe very complex systems, organs or diseases, and hence also include a large number of parameters. One of the attractive features of physics-based models is that in those models (most) parameters have a clear physical meaning. Nevertheless, the determination of these parameters is often very elaborate and costly and shows a large scatter within the population. Hence, it is essential to identify the most important parameter for a particular problem at hand. In order to distinguish parameters which have a significant influence on a specific model output from non-influential parameters, we use sensitivity analysis, in particular the Sobol method as a global variance-based method. However, the Sobol method requires a large number of model evaluations, which is prohibitive for computationally expensive models. We therefore employ Gaussian processes as a metamodel for the underlying full model. Metamodelling introduces further uncertainty, which we also quantify. We demonstrate the approach by applying it to two different problems: nanoparticle-mediated drug delivery in a multiphase tumour-growth model, and arterial growth and remodelling. Even relatively small numbers of evaluations of the full model suffice to identify the influential parameters in both cases and to separate them from non-influential parameters. The approach also allows the quantification of higher-order interaction effects. We thus show that a variance-based global sensitivity analysis is feasible for computationally expensive biomechanical models. Different aspects of sensitivity analysis are covered including a transparent declaration of the uncertainties involved in the estimation process. Such a global sensitivity analysis not only helps to massively reduce costs for experimental determination of parameters but is also highly beneficial for inverse analysis of such complex models.

cs.CE↗

arXiv2022

Bayesian calibration of coupled computational mechanics models under uncertainty based on interface deformation

Calibration or parameter identification is used with computational mechanics models related to observed data of the modeled process to find model parameters such that good similarity between model prediction and observation is achieved. We present a Bayesian calibration approach for surface coupled problems in computational mechanics based on measured deformation of an interface when no displacement data of material points is available. The interpretation of such a calibration problem as a statistical inference problem, in contrast to deterministic model calibration, is computationally more robust and allows the analyst to find a posterior distribution over possible solutions rather than a single point estimate. The proposed framework also enables the consideration of unavoidable uncertainties that are present in every experiment and are expected to play an important role in the model calibration process. To mitigate the computational costs of expensive forward model evaluations, we propose to learn the log-likelihood function from a controllable amount of parallel simulation runs using Gaussian process regression. We introduce and specifically study the effect of three different discrepancy measures for deformed interfaces between reference data and simulation. We show that a statistically based discrepancy measure results in the most expressive posterior distribution. We further apply the approach to numerical examples in higher model parameter dimensions and interpret the resulting posterior under uncertainty. In the examples, we investigate coupled multi-physics models of fluid-structure interaction effects in biofilms and find that the model parameters affect the results in a coupled manner.

cs.CE↗

arXiv2022

A Versatile SPH Modeling Framework for Coupled Microfluid-Powder Dynamics in Additive Manufacturing: Binder Jetting, Material Jetting, Directed Energy Deposition and Powder Bed Fusion

Many additive manufacturing (AM) technologies rely on powder feedstock, which is fused to form the final part either by melting or by chemical binding with subsequent sintering. In both cases, process stability and resulting part quality depend on dynamic interactions between powder particles and a fluid phase, i.e., molten metal or liquid binder. The present work proposes a versatile computational modeling framework for simulating such coupled microfluid-powder dynamics problems involving thermo-capillary flow and reversible phase transitions. In particular, a liquid and a gas phase are interacting with a solid phase that consists of a substrate and mobile powder particles while simultaneously considering temperature-dependent surface tension and wetting effects. In case of laser-metal interactions, the effect of rapid evaporation is incorporated through additional mechanical and thermal interface fluxes. All phase domains are spatially discretized using smoothed particle hydrodynamics. The method's Lagrangian nature is beneficial in the context of dynamically changing interface topologies. Special care is taken in the formulation of phase transitions, which is crucial for the robustness of the computational scheme. While the underlying model equations are of a very general nature, the proposed framework is especially suitable for the mesoscale modeling of various AM processes. To this end, the generality and robustness of the computational modeling framework is demonstrated by several application-motivated examples representing the specific AM processes binder jetting, material jetting, directed energy deposition, and powder bed fusion. Among others, it is shown how the dynamic impact of droplets in binder jetting or the evaporation-induced recoil pressure in powder bed fusion leads to powder motion, distortion of the powder packing structure, and powder particle ejection.

cs.CE↗

arXiv2022

A Mortar Finite Element Formulation for Large Deformation Lubricated Contact Problems with Smooth Transition Between Mixed, Elasto-Hydrodynamic and Full Hydrodynamic Lubrication

This work proposes a novel model and numerical formulation for lubricated contact problems describing the mutual interaction between two deformable 3D solid bodies and an interposed fluid film. The solid bodies are consistently described based on nonlinear continuum mechanics allowing for finite deformations and arbitrary constitutive laws. The fluid film is modelled as a quasi-2D flow problem on the interface between the solids governed by the averaged Reynolds equation. The averaged Reynolds equation accounts for surface roughness utilizing spatially homogenized, effective fluid parameters and for cavitation through a positivity constraint imposed on the pressure field. In contrast to existing approaches, the proposed model accounts for the co-existence of frictional contact tractions and hydrodynamic fluid tractions at every local point on the contact surface of the interacting bodies and covers the entire range from boundary lubrication to mixed, elastohydrodynamic, and eventually to full film hydrodynamic lubrication in one unified modelling framework with smooth transition between these different regimes. Critically, the model relies on a recently proposed regularization scheme for the mechanical contact constraint combining the advantages of classical penalty and Lagrange multiplier approaches by expressing the mechanical contact pressure as a function of the effective gap between the solid bodies while at the same time limiting the minimal gap value occurring at the (theoretical) limit of infinitely high contact pressures. From a physical point of view, this approach can be considered as a model for the elastic deformation of surface asperities, with a bounded magnitude depending on the interacting solids' surface roughness. A consistent and accurate model behavior is demonstrated and validated by employing several challenging and practically relevant benchmark test cases.

cs.CE↗

arXiv2021

Inverse analysis of material parameters in coupled multi-physics biofilm models

In this article we propose an inverse analysis algorithm to find the best fit of multiple material parameters in different coupled multi-physics biofilm models. We use a nonlinear continuum mechanical approach to model biofilm deformation that occurs in flow cell experiments. The objective function is based on a simple geometrical measurement of the distance of the fluid biofilm interface between model and experiments. A Levenberg-Marquardt algorithm based on finite difference approximation is used as an optimizer. The proposed method uses a moderate to low amount of model evaluations. For a first presentation and evaluation the algorithm is applied and tested on different numerical examples based on generated numerical results and the addition of Gaussian noise. Achieved numerical results show that the proposed method serves well for different physical effects investigated and numerical approaches chosen for the model. Presented examples show the inverse analysis for multiple parameters in biofilm models including fluid-solid interaction effects, poroelasticity, heterogeneous material properties and growth.

cs.CE↗

arXiv2021

A simple yet consistent constitutive law and mortar-based layer coupling schemes for thermomechanical macroscale simulations of metal additive manufacturing processes

This article proposes a coupled thermomechanical finite element model tailored to the macroscale simulation of metal additive manufacturing processes such as selective laser melting. A first focus lies on the derivation of a consistent constitutive law on basis of a Voigt-type spatial homogenization procedure across the relevant phases, powder, melt and solid. The proposed constitutive law accounts for the irreversibility of phase change and consistently represents thermally induced residual stresses. In particular, the incorporation of a reference strain term, formulated in rate form, allows to consistently enforce a stress-free configuration for newly solidifying material at melt temperature. Application to elementary test cases demonstrates the validity of the proposed constitutive law and allows for a comparison with analytical and reference solutions. Moreover, these elementary solidification scenarios give detailed insights and foster understanding of basic mechanisms of residual stress generation in melting and solidification problems with localized, moving heat sources. As a second methodological aspect, dual mortar mesh tying strategies are proposed for the coupling of successively applied powder layers. This approach allows for very flexible mesh generation for complex geometries. As compared to collocation-type coupling schemes, e.g., based on hanging nodes, these mortar methods enforce the coupling conditions between non-matching meshes in an $L^2$-optimal manner. The combination of the proposed constitutive law and mortar mesh tying approach is validated on realistic three-dimensional examples, representing a first step towards part-scale predictions.

cs.CE↗

arXiv2021

Physics-Based Modeling and Predictive Simulation of Powder Bed Fusion Additive Manufacturing Across Length Scales

Powder bed fusion additive manufacturing (PBFAM) of metals has the potential to enable new paradigms of product design, manufacturing and supply chains while accelerating the realization of new technologies in the medical, aerospace, and other industries. Currently, wider adoption of PBFAM is held back by difficulty in part qualification, high production costs and low production rates, as extensive process tuning, post-processing, and inspection are required before a final part can be produced and deployed. Physics-based modeling and predictive simulation of PBFAM offers the potential to advance fundamental understanding of physical mechanisms that initiate process instabilities and cause defects. In turn, these insights can help link process and feedstock parameters with resulting part and material properties, thereby predicting optimal processing conditions and inspiring the development of improved processing hardware, strategies and materials. This work presents recent developments of our research team in the modeling of metal PBFAM processes spanning length scales, namely mesoscale powder modeling, mesoscale melt pool modeling, macroscale thermo-solid-mechanical modeling and microstructure modeling. Ongoing work in experimental validation of these models is also summarized. In conclusion, we discuss the interplay of these individual submodels within an integrated overall modeling approach, along with future research directions.

cs.CE↗

arXiv2021

Validation and parameter optimization of a hybrid embedded/homogenized solid tumor perfusion model

The goal of this paper is to investigate the validity of a hybrid embedded/homogenized in-silico approach for modeling perfusion through solid tumors. The rationale behind this novel idea is that only the larger blood vessels have to be explicitly resolved while the smaller scales of the vasculature are homogenized. As opposed to typical discrete or fully-resolved 1D-3D models, the required data can be obtained with in-vivo imaging techniques since the morphology of the smaller vessels is not necessary. By contrast, the larger vessels, whose topology and structure is attainable non-invasively, are resolved and embedded as one-dimensional inclusions into the three-dimensional tissue domain which is modeled as a porous medium. A sound mortar-type formulation is employed to couple the two representations of the vasculature. We validate the hybrid model and optimize its parameters by comparing its results to a corresponding fully-resolved model based on several well-defined metrics. These tests are performed on a complex data set of three different tumor types with heterogeneous vascular architectures. The correspondence of the hybrid model in terms of mean representative elementary volume blood and interstitial fluid pressures is excellent with relative errors of less than 4%. Larger, but less important and explicable errors are present in terms of blood flow in the smaller, homogenized vessels. We finally discuss and demonstrate how the hybrid model can be further improved to apply it for studies on tumor perfusion and the efficacy of drug delivery.

cs.CE↗

arXiv2021

A Novel Physics-Based and Data-Supported Microstructure Model for Part-Scale Simulation of Laser Powder Bed Fusion of Ti-6Al-4V

The elasto-plastic material behavior, material strength and failure modes of metals fabricated by additive manufacturing technologies are significantly determined by the underlying process-specific microstructure evolution. In this work a novel physics-based and data-supported phenomenological microstructure model for Ti-6Al-4V is proposed that is suitable for the part-scale simulation of selective laser melting processes. The model predicts spatially homogenized phase fractions of the most relevant microstructural species, namely the stable $β$-phase, the stable $α_{\text{s}}$-phase as well as the metastable Martensite $α_{\text{m}}$-phase, in a physically consistent manner. In particular, the modeled microstructure evolution, in form of diffusion-based and non-diffusional transformations, is a pure consequence of energy and mobility competitions among the different species, without the need for heuristic transformation criteria as often applied in existing models. The mathematically consistent formulation of the evolution equations in rate form renders the model suitable for the practically relevant scenario of temperature- or time-dependent diffusion coefficients, arbitrary temperature profiles, and multiple coexisting phases. Due to its physically motivated foundation, the proposed model requires only a minimal number of free parameters, which are determined in an inverse identification process considering a broad experimental data basis in form of time-temperature transformation diagrams. Subsequently, the predictive ability of the model is demonstrated by means of continuous cooling transformation diagrams, showing that experimentally observed characteristics such as critical cooling rates emerge naturally from the proposed microstructure model, instead of being enforced as heuristic transformation criteria.

cs.CE↗

arXiv2021

A novel smoothed particle hydrodynamics and finite element coupling scheme for fluid-structure interaction: the sliding boundary particle approach

A novel numerical formulation for solving fluid-structure interaction (FSI) problems is proposed where the fluid field is spatially discretized using smoothed particle hydrodynamics (SPH) and the structural field using the finite element method (FEM). As compared to fully mesh- or grid-based FSI frameworks, due to the Lagrangian nature of SPH this framework can be easily extended to account for more complex fluids consisting of multiple phases and dynamic phase transitions. Moreover, this approach facilitates the handling of large deformations of the fluid domain respectively the fluid-structure interface without additional methodological and computational efforts. In particular, to achieve an accurate representation of interaction forces between fluid particles and structural elements also for strongly curved interface geometries, the novel sliding boundary particle approach is proposed to ensure full support of SPH particles close to the interface. The coupling of the fluid and the structural field is based on a Dirichlet-Neumann partitioned approach, where the fluid field is the Dirichlet partition with prescribed interface displacements and the structural field is the Neumann partition subject to interface forces. To overcome instabilities inherent to weakly coupled schemes an iterative fixed-point coupling scheme is employed. Several numerical examples in form of well-known benchmark tests are considered to validate the accuracy, stability, and robustness of the proposed formulation. Finally, the filling process of a highly flexible thin-walled balloon-like container is studied, representing a model problem close to potential application scenarios of the proposed scheme in the field of biomechanics.

cs.CE↗

arXiv2021

A novel smoothed particle hydrodynamics formulation for thermo-capillary phase change problems with focus on metal additive manufacturing melt pool modeling

Laser-based metal processing including welding and three dimensional printing, involves localized melting of solid or granular raw material, surface tension-driven melt flow and significant evaporation of melt due to the applied very high energy densities. The present work proposes a weakly compressible smoothed particle hydrodynamics formulation for thermo-capillary phase change problems involving solid, liquid and gaseous phases with special focus on selective laser melting, an emerging metal additive manufacturing technique. Evaporation-induced recoil pressure, temperature-dependent surface tension and wetting forces are considered as mechanical interface fluxes, while a Gaussian laser beam heat source and evaporation-induced heat losses are considered as thermal interface fluxes. A novel interface stabilization scheme is proposed, which is shown to allow for a stable and smooth liquid-gas interface by effectively damping spurious interface flows as typically occurring in continuum surface force approaches. Moreover, discretization strategies for the tangential projection of the temperature gradient, as required for the discrete Marangoni forces, are critically reviewed. The proposed formulation is deemed especially suitable for modeling of the melt pool dynamics in metal additive manufacturing because the full range of relevant interface forces is considered and the explicit resolution of the atmospheric gas phase enables a consistent description of pore formation by gas inclusion. The accuracy and robustness of the individual model and method building blocks is verified by means of several selected examples in the context of the selective laser melting process.

cs.CE↗

arXiv2021

What do cells regulate in soft tissues on short time scales?

Cells within living soft biological tissues seem to promote the maintenance of a mechanical state within a defined range near a so-called set-point. This mechanobiological process is often referred to as mechanical homeostasis. During this process, cells intimately interact with the fibers of the surrounding extracellular matrix (ECM). It remains poorly understood, however, what individual cells actually regulate during these interactions, and how these micromechanical regulations are translated to tissue level to lead to what we macroscopically call mechanical homeostasis. Herein, we examine this question by a combination of experiments, theoretical analysis and computational modeling. We demonstrate that on short time scales (hours) - during which deposition and degradation of ECM fibers can largely be neglected - cells appear to regulate neither the stress / strain in the ECM nor their own shape, but rather only the contractile forces that they exert on the surrounding ECM.

q-bio.CB↗

arXiv2021

Algebraic multigrid methods for saddle point systems arising from mortar contact formulations

In this paper, a fully aggregation-based algebraic multigrid strategy is developed for nonlinear contact problems of saddle point type using a mortar finite element approach. While the idea of extending multigrid methods to saddle point systems can already be found, e.g., in the context of Stokes and Oseen equations in literature, the main contributions of this work are (i) the development and open-source implementation of an interface aggregation strategy specifically suited for generating Lagrange multiplier aggregates that are required for coupling structural equilibrium equations with contact constraints and (ii) a review of saddle point smoothers in the context of constrained interface problems. The new interface aggregation strategy perfectly fits into an aggregation-based multigrid framework and can easily be combined with segregated transfer operators, which allow to preserve the saddle point structure on the coarse levels. Further analysis provides insight into saddle point smoothers applied to contact problems, while numerical experiments illustrate the robustness of the new method. We have implemented the proposed algorithm within the MueLu package of the open-source Trilinos project. Numerical examples demonstrate the robustness of the proposed method in complex dynamic contact problems as well as its scalability up to 23.9 million unknowns on 480 MPI ranks.

cs.CE↗