arXiv subjects

Roger A. Sauer

Publications and source records attributed to Roger A. Sauer.

At least 37 records · Page 2Linked to original sources

arXiv2022

A new efficient ab-initio approach for calculating the bending stiffness of 2D materials

This work proposes a new efficient approach for calculating the bending stiffness of two-dimensional materials using simple atomistic tests on small periodic unit cells. The tests are designed such that bending deformations are dominating and membrane deformations are minimized. Atomistic ab-initio simulations then allow for the efficient computation of bending energies. Density functional theory is used for this. Atomistic bending energies are then compared to classical models from structural mechanics. Two different models are considered for this -- one based on beam theory and one based on rigid linkage theory -- and their results are compared with each other. Four different materials with 2D hexagonal (honeycomb) structure are chosen as a case study: graphene, hexagonal boron nitride, silicene, and blue phosphorene. The calculated bending stiffnesses converge with increasing unit cell size, such that small unit cells already provide accurate results that are in good agreement with the literature. Using the same atomistic tests, it is shown that the bending stiffness of graphene can still be considered constant at moderately large deformations. Apart from being efficient and accurate, the proposed approach allows for various extensions.

cond-mat.mtrl-sci↗

arXiv2022

Modeling the debonding process of osseointegrated implants due to coupled adhesion and friction

Cementless implants have become widely used for total hip replacement surgery. The long-term stability of these implants is achieved by bone growing around and into the porous surface of the implant, a process called osseointegration. However, debonding of the bone-implant interface can still occur due to aseptic implant loosening and insufficient osseointegration, which may have dramatic consequences. The aim of this work is to describe a new 3D finite element frictional contact formulation for the debonding of partially osseointegrated implants. The contact model is based on a modified Coulomb's friction law (Immel et al. 2020, Biomech. Model. Mechanobiol.) that takes into account the tangential debonding of the bone-implant interface. This model is extended in the direction normal to the bone-implant interface by considering a cohesive zone model, to account for adhesion phenomena in the normal direction and for adhesive friction of partially bonded interfaces. The model is applied to simulate the debonding of an acetabular cup implant. The influence of partial osseointegration and adhesive effects on the long-term stability of the implant is assessed. The influence of different patient- and implant-specific parameters such as the friction coefficient, the trabecular Young's modulus and the interference fit is also analyzed, in order to determine the optimal stability for different configurations. Furthermore, this work provides guidelines for future experimental and computational studies, that are necessary for further parameter calibration.

physics.med-ph↗

arXiv2022

An isogeometric finite element formulation for boundary and shell viscoelasticity based on a multiplicative surface deformation split

This work presents a numerical formulation to model isotropic viscoelastic material behavior for membranes and thin shells. The surface and the shell theory are formulated within a curvilinear coordinate system, which allows the representation of general surfaces and deformations. The kinematics follow from Kirchhoff-Love theory and the discretization makes use of isogeometric shape functions. A multiplicative split of the surface deformation gradient is employed, such that an intermediate surface configuration is introduced. The surface metric and curvature of this intermediate configuration follow from the solution of nonlinear evolution laws - ordinary differential equations (ODEs) - that stem from a generalized viscoelastic solid model. The evolution laws are integrated numerically with the implicit Euler scheme and linearized within the Newton-Raphson scheme of the nonlinear finite element framework. The implementation of membrane and bending viscosity is verified with the help of analytical solutions and shows ideal convergence behavior. The chosen numerical examples capture large deformations and typical viscoelasticity behavior, such as creep, relaxation, and strain rate dependence. It is also shown that the proposed formulation can be straightforwardly applied to model boundary viscoelasticity of 3D bodies.

cs.CE↗

arXiv2022

An isogeometric finite element formulation for frictionless contact of Cosserat rods with unconstrained directors

This paper presents an isogeometric finite element formulation for nonlinear beams with impenetrability constraints, based on the kinematics of Cosserat rods with unconstrained directors. The beam cross-sectional deformation is represented by director vectors of an arbitrary order. For the frictionless lateral beam-to-beam contact, a surface-to-surface contact algorithm combined with an active set strategy and a penalty method is employed. The lateral boundary surface of the beam is parameterized by its axis and cross-sectional boundary curves with NURBS basis functions having at least $C^2$-continuity, which yields a continuous surface metric and curvature for the closest point projection. Three-dimensional constitutive laws of hyperelastic materials are considered. Several numerical examples verify the accuracy and efficiency of the proposed beam contact formulation in comparison to brick element solutions. The lateral contact pressure distribution of the beam formulation is in excellent agreement with the contact pressure of the brick element formulation while requiring much less degrees-of-freedom.

math.NA↗

arXiv2022

A Bayesian regularization-backpropagation neural network model for peeling computations

Bayesian regularization-backpropagation neural network (BR-BPNN) model is employed to predict some aspects of the gecko spatula peeling viz. the variation of the maximum normal and tangential pull-off forces and the resultant force angle at detachment with the peeling angle. K-fold cross validation is used to improve the effectiveness of the model. The input data is taken from finite element (FE) peeling results. The neural network is trained with 75% of the FE dataset. The remaining 25% are utilized to predict the peeling behavior. The training performance is evaluated for every change in the number of hidden layer neurons to determine the optimal network structure. The relative error is calculated to draw a clear comparison between predicted and FE results. It is shown that the BR-BPNN model in conjunction with k-fold technique has significant potential to estimate the peeling behavior.

cs.CE↗

arXiv2022

Nonlinear material identification of heterogeneous isogeometric Kirchhoff-Love shells

This work presents a Finite Element Model Updating inverse methodology for reconstructing heterogeneous material distributions based on an efficient isogeometric shell formulation. It uses nonlinear hyperelastic material models suitable for describing incompressible material behavior as well as initially curved shells. The material distribution is discretized by bilinear elements such that the nodal values are the design variables to be identified. Independent FE analysis and material discretization, as well as flexible incorporation of experimental data, offer high robustness and control. Three elementary test cases and one application example, which exhibit large deformations and different challenges, are considered: uniaxial tension, pure bending, sheet inflation, and abdominal wall pressurization. Experiment-like results are generated from high-resolution simulations with the subsequent addition of up to 4% noise. Local optimization based on the trust-region approach is used. The results show that with a sufficient number of experimental measurements, design variables and analysis elements, the algorithm is capable to reconstruct material distributions with high precision even in the presence of large noise. The proposed formulation is very general, facilitating its extension to other material models, optimization algorithms and meshing approaches. Adapted material discretizations allow for an efficient and accurate reconstruction of material discontinuities by avoiding overfitting due to superfluous design variables. For increased computational efficiency, the analytical sensitivities and Jacobians are provided.

cs.CE↗

arXiv2021

Isogeometric continuity constraints for multi-patch shells governed by fourth-order deformation and phase field models

This work presents numerical techniques to enforce continuity constraints on multi-patch surfaces for three distinct problem classes. The first involves structural analysis of thin shells that are described by general Kirchhoff-Love kinematics. Their governing equation is a vector-valued, fourth-order, nonlinear, partial differential equation (PDE) that requires at least $C^1$-continuity within a displacement-based finite element formulation. The second class are surface phase separations modeled by a phase field. Their governing equation is the Cahn-Hilliard equation - a scalar, fourth-order, nonlinear PDE - that can be coupled to the thin shell PDE. The third class are brittle fracture processes modeled by a phase field approach. In this work, these are described by a scalar, fourth-order, nonlinear PDE that is similar to the Cahn-Hilliard equation and is also coupled to the thin shell PDE. Using a direct finite element discretization, the two phase field equations also require at least a $C^1$-continuous formulation. Isogeometric surface discretizations - often composed of multiple patches - thus require constraints that enforce the $C^1$-continuity of displacement and phase field. For this, two numerical strategies are presented: For this, two numerical strategies are presented: A Lagrange multiplier formulation and a penalty method. The curvilinear shell model including the geometrical constraints is taken from Duong et al. (2017) and it is extended to model the coupled phase field problems on thin shells of Zimmermann et al. (2019) and Paul et al. (2020) on multi-patches. Their accuracy and convergence are illustrated by several numerical examples considering deforming shells, phase separations on evolving surfaces, and dynamic brittle fracture of thin shells.

cs.CE↗

arXiv2021

A chemo-mechano-thermodynamical contact theory for adhesion, friction and (de)bonding reactions

This work presents a self-contained continuum formulation for coupled chemical, mechanical and thermal contact interactions. The formulation is very general and hence admits arbitrary geometry, deformation and material behavior. All model equations are derived rigorously from the balance laws of mass, momentum, energy and entropy in the framework of irreversible thermodynamics, thus exposing all the coupling present in the field equations and constitutive relations. In the process, the conjugated kinematic and kinetic variables for mechanical, thermal and chemical contact are identified, and the analogies between mechanical, thermal and chemical contact are highlighted. Particular focus is placed on the thermodynamics of chemical bonding distinguishing between exothermic and endothermic contact reactions. Distinction is also made between long-range, non-touching surface interactions and short-range, touching contact. For all constitutive relations examples are proposed and discussed comprehensively with particular focus on their coupling. Finally, three analytical test cases are presented that illustrate the thermo-chemo-mechanical contact coupling and are useful for verifying computational models. While the main novelty is the extension of existing contact formulations to chemical contact, the presented formulation also sheds new light on thermo-mechanical contact, since it is consistently derived from basic principles using only few assumptions.

physics.class-ph↗

arXiv2021

An isogeometric finite element formulation for geometrically exact Timoshenko beams with extensible directors

An isogeometric finite element formulation for geometrically and materially nonlinear Timoshenko beams is presented, which incorporates in-plane deformation of the cross-section described by two extensible director vectors. Since those directors belong to the space ${\Bbb R}^3$, a configuration can be additively updated. The developed formulation allows direct application of nonlinear three-dimensional constitutive equations without zero stress conditions. Especially, the significance of considering correct surface loads rather than applying an equivalent load directly on the central axis is investigated. Incompatible linear in-plane strain components for the cross-section have been added to alleviate Poisson locking by using an enhanced assumed strain (EAS) method. In various numerical examples exhibiting large deformations, the accuracy and efficiency of the presented beam formulation is assessed in comparison to brick elements. We particularly use hyperelastic materials of the St. Venant-Kirchhoff and compressible Neo-Hookean types.

physics.app-ph↗

arXiv2020

Contact with coupled adhesion and friction: Computational framework, applications, and new insights

Contact involving soft materials often combines dry adhesion, sliding friction, and large deformations. At the local level, these three aspects are rarely captured simultaneously, but included in the theoretical models by Mergel et al. (2019). We here develop a corresponding finite element framework that captures 3D finite-strain contact of two deformable bodies. This framework is suitable to investigate sliding friction even under tensile normal loads. First, we demonstrate the capabilities of our finite element model using both 2D and 3D test cases, which range from compliant tapes to structures with high stiffness, and include deformable-rigid and deformable-deformable contact. We then provide new results on the onset of sliding of smooth elastomer-glass interfaces, a setup that couples nonlinear material behavior, adhesion, and large frictional stresses. Our simulations not only agree well with both experimental and theoretical findings, they also provide new insights into the current debate on the shear-induced reduction of the contact area in elastomeric contact.

cs.CE↗

arXiv2020

On topology optimization of large deformation contact-aided shape morphing compliant mechanisms

A topology optimization approach for designing large deformation contact-aided shape morphing compliant mechanisms is presented. Such mechanisms can be used in varying operating conditions. Design domains are described by regular hexagonal elements. Negative circular masks are employed to perform dual task, i.e., to decide material states of each element and also, to generate rigid contact surfaces. Each mask is characterized by five design variables, which are mutated by a zero-order based hill-climbing optimizer. Geometric and material nonlinearities are considered. Continuity in normals to boundaries of the candidate designs is ensured using a boundary resolution and smoothing scheme. Nonlinear mechanical equilibrium equations are solved using the Newton-Raphson method. An updated Lagrange approach in association with segment-to-segment contact method is employed for the contact formulation. Both mutual and self contact modes are permitted. Efficacy of the approach is demonstrated by designing four contact-aided shape morphing compliant mechanisms for different desired curves. Performance of the deformed profiles is verified using a commercial software. The effect of frictional contact surface on the actual profile is also studied

cs.CE↗

arXiv2020

An adaptive space-time phase field formulation for dynamic fracture of brittle shells based on LR NURBS

We present an adaptive space-time phase field formulation for dynamic fracture of brittle shells. Their deformation is characterized by the Kirchhoff-Love thin shell theory using a curvilinear surface description. All kinematical objects are defined on the shell's mid-plane. The evolution equation for the phase field is determined by the minimization of an energy functional based on Griffith's theory of brittle fracture. Membrane and bending contributions to the fracture process are modeled separately and a thickness integration is established for the latter. The coupled system consists of two nonlinear fourth-order PDEs and all quantities are defined on an evolving two-dimensional manifold. Since the weak form requires $C^1$-continuity, isogeometric shape functions are used. The mesh is adaptively refined based on the phase field using Locally Refinable (LR) NURBS. Time is discretized based on a generalized-$α$ method using adaptive time-stepping, and the discretized coupled system is solved with a monolithic Newton-Raphson scheme. The interaction between surface deformation and crack evolution is demonstrated by several numerical examples showing dynamic crack propagation and branching.

cs.CE↗

arXiv2020

Arbitrary Lagrangian--Eulerian finite element method for curved and deforming surfaces. I. General theory and application to fluid interfaces

An arbitrary Lagrangian--Eulerian (ALE) finite element method for arbitrarily curved and deforming two-dimensional materials and interfaces is presented here. An ALE theory is developed by endowing the surface with a mesh whose in-plane velocity need not depend on the in-plane material velocity, and can be specified arbitrarily. A finite element implementation of the theory is formulated and applied to curved and deforming surfaces with in-plane incompressible flows. Numerical inf--sup instabilities associated with in-plane incompressibility are removed by locally projecting the surface tension onto a discontinuous space of piecewise linear functions. The general isoparametric finite element method, based on an arbitrary surface parametrization with curvilinear coordinates, is tested and validated against several numerical benchmarks. A new physical insight is obtained by applying the ALE developments to cylindrical fluid films, which are computationally and analytically found to be stable to non-axisymmetric perturbations, and unstable with respect to long-wavelength axisymmetric perturbations when their length exceeds their circumference. A Lagrangian scheme is attained as a special case of the ALE formulation. Though unable to model fluid films with sustained shear flows, the Lagrangian scheme is validated by reproducing the cylindrical instability. However, relative to the ALE results, the Lagrangian simulations are found to have spatially unresolved regions with few nodes, and thus larger errors.

physics.comp-ph↗

arXiv2020

On the presence of a critical detachment angle in gecko spatula peeling -- A numerical investigation using an adhesive friction model

A continuum-based computational contact model is employed to study coupled adhesion and friction in gecko spatulae. Nonlinear finite element analysis is carried out to simulate spatula peeling from a rigid substrate. It is shown that the "frictional adhesion" behavior, until now only observed from seta to toe levels, is also present at the spatula level. It is shown that for sufficiently small spatula pad thickness, the spatula detaches at a constant angle known as the critical detachment angle irrespective of the peeling and shaft angles. The spatula reaches the same energy states at the jump-off contact point, which directly relates to the invariance of the critical detachment angle. This study also reveals that there is an optimum pad thickness associated with the invariance of the critical detachment angle. It is further observed that the sliding of the spatula pad is essential for the invariance of the critical detachment angle.

cond-mat.soft↗

arXiv2020

A modified Coulomb's law for the tangential debonding of osseointegrated implants

Cementless implants are widely used in orthopedic and oral surgery. However, debonding-related failure still occurs at the bone-implant interface. It remains difficult to predict such implant failure since the underlying osseointegration phenomena are still poorly understood. Especially in terms of friction and adhesion at the macro-scale, there is a lack of data and reliable models. The aim of this work is to present a new friction formulation that can model the tangential contact behavior between osseointegrated implants and bone tissue, with focus on debonding. The classical Coulomb's law is combined with a state variable friction law to model a displacement-dependent friction coefficient. A smooth state function, based on the sliding distance, is used to model implant debonding. The formulation is implemented in a 3D nonlinear finite element framework, and it is calibrated with experimental data and compared to an analytical model for mode III cleavage of a coin-shaped, titanium implant (Mathieu et al. 2012). Overall, the results show close agreement with the experimental data, especially the peak and the softening part of the torque curve with a relative error of less than 2.25 %. In addition, better estimates of the bone's shear modulus and the adhesion energy are obtained. The proposed model is particularly suitable to account for partial osseointegration, as is also shown.

physics.med-ph↗

arXiv2019

Investigating the normal and tangential peeling behaviour of gecko spatulae using a coupled adhesion-friction model

The present work investigates the normal and tangential peeling behaviour of a gecko spatula using a coupled adhesion-friction model. The objective is to explain the strong attachment and easy detachment behaviour of the spatulae as well as to understand the principles behind their optimum design. Using nonlinear finite element computations, it is shown that during tangentially-constrained peeling the partial sliding of the spatula pad near the peeling front stretches the spatula, thus increasing the strain energy and leading to high pull-off forces. The model is used to investigate the influence of various parameters on the pull-off forces -- such as the peeling angle, spatula shaft angle, strip thickness, and material stiffness. The model shows that increasing the spatula pad thickness beyond a certain level does not lead to a significant increase in the attachment forces. Further, the easy detachment behaviour of geckos is studied under tangentially-free peeling conditions. It is found that the spatulae readily detach from the substrate by changing their shaft angle and eventually peel vertically like a tape. Since the present computational model is not limited by the geometrical, kinematical, and material restrictions of theoretical models, it can be employed to analyse similar biological adhesive systems.

cond-mat.soft↗

arXiv2019

Continuum contact models for coupled adhesion and friction

We develop two new continuum contact models for coupled adhesion and friction, and discuss them in the context of existing models proposed in the literature. Our new models are able to describe sliding friction even under tensile normal forces, which seems reasonable for certain adhesion mechanisms. In contrast, existing continuum models for combined adhesion and friction typically include sliding friction only if local contact stresses are compressive. Although such models work well for structures with sufficiently strong local compression, they fail to capture sliding friction for soft and compliant systems (like adhesive pads), for which the resistance to bending is low. This can be overcome with our new models. For further motivation, we additionally present experimental results for the onset of sliding of a smooth glass plate on a smooth elastomer cap under low normal loads. As shown, the findings from these experiments agree well with the results from our models. In this paper we focus on the motivation and derivation of our continuum contact models, and provide a corresponding literature survey. Their implementation in a nonlinear finite element framework as well as the algorithmic treatment of adhesion and friction will be discussed in future work.

cs.CE↗

arXiv2019

The multiplicative deformation split for shells with application to growth, chemical swelling, thermoelasticity, viscoelasticity and elastoplasticity

This work presents a general unified theory for coupled nonlinear elastic and inelastic deformations of curved thin shells. The coupling is based on a multiplicative decomposition of the surface deformation gradient. The kinematics of this decomposition is examined in detail. In particular, the dependency of various kinematical quantities, such as area change and curvature, on the elastic and inelastic strains is discussed. This is essential for the development of general constitutive models. In order to fully explore the coupling between elastic and different inelastic deformations, the surface balance laws for mass, momentum, energy and entropy are examined in the context of the multiplicative decomposition. Based on the second law of thermodynamics, the general constitutive relations are then derived. Two cases are considered: Independent inelastic strains, and inelastic strains that are functions of temperature and concentration. The constitutive relations are illustrated by several nonlinear examples on growth, chemical swelling, thermoelasticity, viscoelasticity and elastoplasticity of shells. The formulation is fully expressed in curvilinear coordinates leading to compact and elegant expressions for the kinematics, balance laws and constitutive relations.

physics.class-ph↗