TY - GEN A1 - Andrés Arcones, Daniel A1 - Diercks, Philipp A1 - Robens-Radermacher, Annika A1 - Rosenbusch, Sjard Mathis A1 - Tamsen, Erik A1 - Tyagi, Divyansh A1 - Unger, Jörg F. T1 - FenicsXConcrete N2 - FenicsXConcrete is a Python package for the simulation of mechanical problems. The general PDE solving software FEniCSx is extended with classes describing experimental setups, mechanical problems, thermo-mechanical problems, additive manufacturing and sensors. KW - FEM KW - Fenics KW - Concrete modelling PY - 2023 UR - https://github.com/BAMresearch/FenicsXConcrete DO - https://doi.org/10.5281/zenodo.7780757 PB - Zenodo CY - Geneva AN - OPUS4-59121 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Bos, Freek A1 - Robens-Radermacher, Annika A1 - Muthukrishnan, S. A1 - Versteegen, J. A1 - Wolfs, R. A1 - Santhanam, M. A1 - Menna, C. A1 - Mechtcherine, V. T1 - Database of the RILEM TC 304-ADC interlaboratory study on mechanical properties of 3D printed concrete (ILS-mech) N2 - The RILEM TC 304-ADC has set up a large interlaboratory study on the mechanical properties of 3D printed concrete (ILS-mech). The study was prepared in 2022 by a preparation group leading to a Study Plan which the TC approved on 29 November 2022 (https://doi.org/10.14459/2023mp1705940). The ILS-mech was performed in 2023. The data was collected using a pre-prepared spreadsheet template. For data management, a database was derived and set-up in openBIS. The underlying Postgres database of openBIS was exported to the here-published SQLite database for sharing without maintaining a server. The structure of the database is described in (doi). The results are discussed in three associated papers focusing on the overall outcomes and evaluation of the procedures (doi), the compressive test results (doi), and the tensile test results (doi). KW - Additive manufacturing of concrete KW - 3d concrete printing KW - 3dcp KW - Test protocol KW - Compression KW - Flexure KW - Tension KW - E-modulus KW - Bending KW - Splitting PY - 2023 PB - Zenodo CY - Geneva AN - OPUS4-61022 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Diercks, Philipp A1 - Gläser, D. A1 - Lünsdorf, O. A1 - Selzer, M. A1 - Flemisch, B. A1 - Unger, Jörg F. T1 - Evaluation of tools for describing, reproducing and reusing scientific workflows N2 - In the field of computational science and engineering, workflows often entail the application of various software, for instance, for simulation or pre- and postprocessing. Typically, these components have to be combined in arbitrarily complex workflows to address a specific research question. In order for peer researchers to understand, reproduce and (re)use the findings of a scientific publication, several challenges have to be addressed. For instance, the employed workflow has to be automated and information on all used software must be available for a reproduction of the results. Moreover, the results must be traceable and the workflow documented and readable to allow for external verification and greater trust. In this paper, existing workflow management systems (WfMSs) are discussed regarding their suitability for describing, reproducing and reusing scientific workflows. To this end, a set of general requirements for WfMSswere deduced from user stories that we deem relevant in the domain of computational science and engineering. On the basis of an exemplary workflow implementation, publicly hosted at GitHub (https:// this http URL), a selection of different WfMSs is compared with respect to these requirements, to support fellow scientists in identifying the WfMSs that best suit their requirements. KW - FAIR KW - Reproducibility, scientific workflow KW - Tool comparison KW - Workflow management PY - 2024 UR - https://arxiv.org/abs/2211.06429 DO - https://doi.org/10.48550/arXiv.2211.06429 PB - Arxiv; Cornell Tech CY - New York, NY AN - OPUS4-59804 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Diercks, Philipp A1 - Gläser, D. A1 - Unger, Jörg F. A1 - Crusoe, M. R. A1 - Huber, S. T1 - BAMresearch/NFDI4IngScientificWorkflowRequirements: Initial version N2 - Software-driven scientific workflows are often characterized by a complex interplay of various pieces of software executed in a particular order. The output of a computational step may serve as input to a subsequent computation, which requires them to be processed sequentially with a proper mapping of outputs to inputs. Other computations are independent of each other and can be executed in parallel. Thus, one of the main tasks of a workflow tool is a proper and efficient scheduling of the individual processing steps. Each processing step, just as the workflow itself, typically processes some input and produces output data. Apart from changing the input data to operate on, processing steps can usually be configured by a set of parameters to change their behavior. Moreover, the behavior of a processing step is determined by its source code and/or executable binaries/packages that are called within it. Beyond this, the computation environment not only has a significant influence on its behavior, but is also crucial in order for the processing step to work at all. The environment includes the versions of the interpreters or compilers, as well as all third-party libraries and packages that contribute to the computations carried out in a processing step. KW - Zenodo KW - 7790634 PY - 2023 DO - https://doi.org/10.5281/zenodo.7790633 PB - Zenodo CY - Geneva AN - OPUS4-59687 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Diercks, Philipp A1 - Robens-Radermacher, Annika A1 - Rosenbusch, Sjard Mathis A1 - Unger, Jörg F. A1 - Saif-Ur-Rehman, Saif-Ur-Rehman T1 - fenics-constitutive N2 - This software enables the use of nonlinear constitutive models with FEniCSx. KW - Constitutive models KW - FEniCSx KW - Fenics-constitutive PY - 2024 DO - https://doi.org/10.5281/zenodo.13364955 PB - Zenodo CY - Geneva AN - OPUS4-62114 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Diercks, Philipp A1 - Veroy, K. A1 - Robens-Radermacher, Annika A1 - Unger, Jörg F. T1 - Multiscale modeling of linear elastic heterogeneous structures via localized model order reduction N2 - In this paper, a methodology for fine scale modeling of large scale linear elastic structures is proposed, which combines the variational multiscale method, domain decomposition and model order reduction. The influence of the fine scale on the coarse scale is modelled by the use of an additive split of the displacement field, addressing applications without a clear scale separation. Local reduced spaces are constructed bysolving an oversampling problem with random boundary conditions. Herein, we inform the boundary conditions by a global reduced problem and compare our approach using physically meaningful correlated samples with existing approaches using uncorrelated samples. The local spaces are designed such that the local contribution of each subdomain can be coupled in a conforming way, which also preserves the sparsity pattern of standard finite element assembly procedures. Several numerical experiments show the accuracy and efficiency of the method, as well as its potential to reduce the size of the local spaces and the number of training samples compared to the uncorrelated sampling KW - Multiscale methods KW - Variational multiscale method KW - Localized model order reduction KW - Proper orthogonal PY - 2024 UR - https://arxiv.org/abs/2201.10374 DO - https://doi.org/10.48550/arXiv.2201.10374 PB - Arxiv; Cornell Tech CY - New York, NY AN - OPUS4-59803 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Jafari, Abbas T1 - A python library for finite element (FE) modelling of static/quasi-static structural mechanics problems with legacy FEniCS N2 - This is a python library for finite element (FE) modelling of static/quasi-static structural mechanics problems with legacy FEniCS, which contains the following main modules. Module structure: for defining a structural mechanics experiment, including geometry, mesh, boundary conditions (BCs), and time-varying loadings. The time is quasi-static, i.e. no dynamic (inertia) effects will be accounted for in the problem module as follows. Module material: for handling constitutive laws such as elasticity, gradient damage, plasticity, etc. Module problem: for establishing structural mechanics problems for desired structures and material laws coming from the two above modules, and solving the problems built up. These can be performed for two main cases: static (no time-evolution) that also includes homogenization, and quasi-static (QS). KW - Finite element (FE) KW - Static/quasi-static structural mechanics KW - FEniCS PY - 2025 DO - https://doi.org/10.5281/zenodo.17805724 PB - Zenodo CY - Geneva AN - OPUS4-65269 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Jafari, Abbas A1 - Titscher, Thomas A1 - Robens-Radermacher, Annika T1 - Bayem: Implementation and derivation of “variational Bayesian inference for a nonlinear forward model [Chappell et al 2008]“ for arbitrary, user-defined model errors N2 - A python implementation of an analytical variational Bayes algorithm of "Variational Bayesian inference for a nonlinear forward model", Chappell, Michael A., Adrian R. Groves, Brandon Whitcher, and Mark W. Woolrich, IEEE Transactions on Signal Processing 57, no. 1 (2008): 223-236, with an updated free energy equation to correctly capture the log evidence. The algorithm requires a user-defined model error allowing an arbitrary combination of custom forward models and measured data. KW - Implementation KW - Variational Bayesian inference KW - Nonlinear forward model PY - 2025 DO - https://doi.org/10.5281/zenodo.17804665 PB - Zenodo CY - Geneva AN - OPUS4-65268 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Robens-Radermacher, Annika T1 - Dataset for publication: Characterization of temperature influence on the structural built-up of 3D concrete N2 - Implementation, data, and results for the generation of the study "Characterization of temperature influence on the structural built-up of 3D concrete". In this study, the influence of temperature on structural build-up is investigated. A significant temperature influence is demonstrated for three experimental setups (small amplitude oscillatory shear, constant shear rate, and small amplitude oscillatory extensional tests) using different materials. A common modeling framework capturing the time- and temperature evolution is derived based on the maturity approach. Two alternative formulations for the time evolution were proposed. Both models were calibrated using a probabilistic approach, allowing for uncertainty quantification. The calibrated models successfully predict the structural build-up under different ambient temperature conditions. KW - Structural build-up KW - 3D concrete printing KW - Modeling KW - Parameter identification KW - Temperature influence PY - 2025 DO - https://doi.org/10.5281/zenodo.15845818 PB - Zenodo CY - Geneva AN - OPUS4-64982 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Robens-Radermacher, Annika A1 - Strobl, Dominic T1 - PGDrome N2 - A FEniCS based python module of the Proper Generalized Decomposition (PGD) method. KW - Reduced Order Model KW - Proper Generalized Decomposition KW - Fenics PY - 2023 DO - https://doi.org/10.5281/zenodo.10075334 PB - Zenodo CY - Geneva AN - OPUS4-59134 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Rosenbusch, Sjard Mathis A1 - Balzani, Daniel A1 - Unger, Jörg F. T1 - Regularization of softening plasticity models for explicit dynamics using a gradient-enhanced modified Johnson-Holmquist model N2 - The behavior of concrete under high strain rates is often described by plasticity models with softening, which is modeled by a reduction of the yield surface as a function of the local equivalent plastic strain. Among these are the RHT model, the K\&C model and the Johnson-Holmquist concrete model. These models are however local and therefore produce mesh-dependent results. In this contribution, the gradient-enhancement of such models is investigated. First, the mesh-dependency of these local formulations based on the analysis with a modified JH2 model as a representative for these constitutive formulations is demonstrated using a one-dimensional benchmark example. The central difference method is used as solver with a diagonal mass matrix obtained from a Gauß-Lobatto integration. In the benchmark, the width of the damaged zone decreases upon mesh-refinement and the dissipated plastic energy tends to zero. It is further shown that a significantly small safety factor for the critical time step is needed in order to achieve accurate results for the benchmark example. Next, two gradient-enhancement approaches are investigated. The enhancement is based on the inclusion of inertia and damping to the additional Helmholtz equation which enables the use of the central difference method as an explicit solver. In the first formulation, the yield surface and therefore the softening is formulated in terms of a nonlocal equivalent plastic strain. In the second approach, a hardening term which depends on the local equivalent plastic strain is introduced to the modified JH2 model in addition to the nonlocal softening. This approach is inspired by results from gradient plasticity in quasi-static loading scenarios. It is shown that the approach without hardening can still lead to mesh-dependent results while the model that includes hardening successfully inhibits strain localization and leads to a converging dissipated plastic energy. This is further confirmed in a two-dimensional wedge-splitting experiment where the damage pattern produced by the local model is mesh-dependent as well and the dissipated plastic energy tends to zero with mesh-refinement. The proposed nonlocal model with hardening results in a consistent damage pattern and the dissipated plastic energy converges. Furthermore, the nonlocal model with hardening is less sensitive to time step refinement, such that computational efficiency can be improved compared to the local model. The numerical experiments are implemented using the free and open-source tool FEniCSx. KW - Concrete modeling KW - Explicit Dynamics KW - FEniCS KW - Gradient plasticity KW - JH2 model KW - Mesh convergence PY - 2024 DO - https://doi.org/10.5281/zenodo.13983859 PB - Zenodo CY - Geneva AN - OPUS4-65083 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Rosenbusch, Sjard Mathis A1 - Diercks, Philipp A1 - Kindrachuk, Vitaliy A1 - Unger, Jörg F. T1 - Integrating custom constitutive models into FEniCSx: A versatile approach and case studies N2 - The development and integration of user-defined constitutive relationships into finite element (FE) tools using standardized interfaces play a pivotal role in advancing the capabilities of FE solvers for structural mechanics applications. While commercial FE solvers like Abaqus and Ansys have designed their interfaces to provide custom stresses, tangents, and updated history variables, the open-source solver FEniCSx remains efficient only when the constitutive update has an analytical representation. This restricts the application of FEniCSx for non-linear structural mechanics. Since FEniCSx has become a powerful and popular open-source tool for solving partial differential equations, particularly due to its automatic computation of Hessians, we aim to develop a generalized interface to enhance its capability for constitutive modeling. This approach will address complex constitutive equations that require iterative solutions at the quadrature point level. Specific implementation challenges, such as using return-mapping procedures, can then be managed commonly. The provided interface for custom constitutive models offers a versatile way to implement them in various languages, including C++, Python, Rust, and Fortran. Finally, using the example of UMATs for viscoplastic models, we demonstrate how available user subroutines can be incorporated into the interface while maintaining computational performance of FEniCSx comparable to that of Abaqus. KW - Finite element method KW - Constitutive models KW - FEniCSx KW - UMAT KW - Rust KW - Python KW - C++ PY - 2024 DO - https://doi.org/10.5281/zenodo.13980988 PB - Zenodo CY - Geneva AN - OPUS4-62112 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Strobl, Dominic A1 - Unger, Jörg F. A1 - Chady, G. A1 - Klawoon, Alexander A1 - Pittner, Andreas A1 - Rethmeier, Michael A1 - Robens-Radermacher, Annika T1 - Efficient bead-on-plate weld model for parameter estimation towards effective wire arc additive manufacturing simulation N2 - Despite the advances in hardware and software techniques, standard numerical methods fail in providing real-time simulations, especially for complex processes such as additive manufacturing applications. A real-time simulation enables process control through the combination of process monitoring and automated feedback, which increases the flexibil- ity and quality of a process. Typically, before producing a whole additive manufacturing structure, a simplified experiment in form of a bead-on- plate experiment is performed to get a first insight into the process and to set parameters suitably. In this work, a reduced order model for the transient thermal problem of the bead-on-plate weld simulation is devel- oped, allowing an efficient model calibration and control of the process. The proposed approach applies the proper generalized decomposition (PGD) method, a popular model order reduction technique, to decrease the computational effort of each model evaluation required multiple times in parameter estimation, control and optimization. The welding torch is modeled by a moving heat source, which leads to difficulties separating space and time, a key ingredient in PGD simulations. A novel approach for separating space and time is applied and extended to 3D problems allowing the derivation of an efficient separated representation of the tem- perature. The results are verified against a standard finite element model showing excellent agreement. The reduced order model is also leveraged in a Bayesian model parameter estimation setup, speeding up calibrations and ultimately leading to an optimized real-time simulation approach for welding experiment using synthetic as well as real measurement data. KW - Ermüdung PY - 2023 DO - https://doi.org/10.5281/zenodo.7456813 PB - Zenodo CY - Geneva AN - OPUS4-59651 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Strobl, Domninic T1 - PGD in thermal transient problems with a moving heat source – a sensitivity study on factors affecting accuracy and efficiency N2 - Thermal transient problems, essential in applications like welding and additive metal manufacturing, are characterized by a dynamic evolution of temperature. Accurately simulating these phenomena is often computationally expensive, thus limiting the application, e. g. for model parameter estimation or online process control. Model order reduction, a solution to preserve accuracy while reducing complexity, is explored. This paper addresses challenges in developing a reduced model using the Proper Generalized Decomposition (PGD) for transient thermal problems with a specific treatment of the moving heat source within the reduced model. Factors affecting accuracy, convergence, and computational cost, such as discretization methods (finite element and finite difference), a dimensionless formulation, the size of the heat source, and the inclusion of material parameters as additional PGD variables are examined across progressively complex examples. The results demonstrate the influence of these factors on the PGD model's performance and emphasize the importance of their consideration when implementing such models. For thermal examples it is demonstrated that a PGD model with a finite difference discretization in time, a dimensionless representation, a mapping for a moving heat source, and a spatial domain non-separation yields the best approximation to the full order model. KW - Additive manufacturing KW - Mapping for unseparable load KW - Model order reduction KW - Proper generalized decomposition KW - Sensitivity analysis KW - Thermal transient problem PY - 2024 DO - https://doi.org/10.5281/zenodo.10102489 PB - Zenodo CY - Geneva AN - OPUS4-62235 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -