Advanced Modeling and Simulation in Engineering Sciences最新文献

{"title":"Asymptotically consistent and computationally efficient modeling of short-ranged molecular interactions between curved slender fibers undergoing large 3D deformations","authors":"Maximilian J. Grill, Wolfgang A. Wall, Christoph Meier","doi":"10.1186/s40323-023-00257-9","DOIUrl":"https://doi.org/10.1186/s40323-023-00257-9","url":null,"abstract":"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), whose geometry is linearly expanded at the point with smallest distance to the given slave beam section. 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 addition to significant gains in computational efficiency, the total beam–beam interaction potential resulting from this approach is shown to exhibit an asymptotically consistent angular and distance scaling behavior. Critically for the numerical solution scheme, a regularization of the interaction potential in the zero-separation limit as well as the finite element discretization of the interacting fibers, modeled by the geometrically exact beam theory, are presented. 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.","PeriodicalId":37424,"journal":{"name":"Advanced Modeling and Simulation in Engineering Sciences","volume":"36 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140595721","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Large-scale graph-machine-learning surrogate models for 3D-flowfield prediction in external aerodynamics","authors":"Davide Roznowicz, Giovanni Stabile, Nicola Demo, Davide Fransos, Gianluigi Rozza","doi":"10.1186/s40323-024-00259-1","DOIUrl":"https://doi.org/10.1186/s40323-024-00259-1","url":null,"abstract":"The article presents the application of inductive graph machine learning surrogate models for accurate and efficient prediction of 3D flow for industrial geometries, explicitly focusing here on external aerodynamics for a motorsport case. The final aim is to build a surrogate model that can provide quick predictions, bypassing in this way the unfeasible computational burden of traditional computational fluid dynamics (CFD) simulations. We investigate in this contribution the usage of graph neural networks, given their ability to smoothly deal with unstructured data, which is the typical context for industrial simulations. We integrate an efficient subgraph-sampling approach with our model, specifically tailored for large dataset training. REV-GNN is the chosen graph machine learning model, that stands out for its capacity to extract deeper insights from neighboring graph regions. Additionally, its unique feature lies in its reversible architecture, which allows keeping the memory usage constant while increasing the number of network layers. We tested the methodology by applying it to a parametric Navier–Stokes problem, where the parameters control the surface shape of the industrial artifact at hand, here a motorbike.","PeriodicalId":37424,"journal":{"name":"Advanced Modeling and Simulation in Engineering Sciences","volume":"7 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140196972","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A posteriori error estimation for model order reduction of parametric systems","authors":"Lihong Feng, Sridhar Chellappa, Peter Benner","doi":"10.1186/s40323-024-00260-8","DOIUrl":"https://doi.org/10.1186/s40323-024-00260-8","url":null,"abstract":"This survey discusses a posteriori error estimation for model order reduction of parametric systems, including linear and nonlinear, time-dependent and steady systems. We focus on introducing the error estimators we have proposed in the past few years and comparing them with the most related error estimators from the literature. For a clearer comparison, we have translated some existing error bounds proposed in function spaces into the vector space $${mathbb {C}}^n$$ and provide the corresponding proofs in $$mathbb C^n$$ . Some new insights into our proposed error estimators are explored. Moreover, we review our newly proposed error estimator for nonlinear time-evolution systems, which is applicable to reduced-order models solved by arbitrary time-integration solvers. Our recent work on multi-fidelity error estimation is also briefly discussed. Finally, we derive a new inf-sup-constant-free output error estimator for nonlinear time-evolution systems. Numerical results for three examples show the robustness of the new error estimator.","PeriodicalId":37424,"journal":{"name":"Advanced Modeling and Simulation in Engineering Sciences","volume":"35 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140099303","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The displacement mechanism of the cracked rock – a seismic design and prediction study using XFEM and ANNs","authors":"Omer Mughieda, Lijie Guo, Yunchao Tang, Nader M. Okasha, Sayed Javid Azimi, Abdoullah Namdar, Falak Azhar","doi":"10.1186/s40323-024-00261-7","DOIUrl":"https://doi.org/10.1186/s40323-024-00261-7","url":null,"abstract":"Materials with sufficient strength and stiffness can transfer nonlinear design loads without damage. The present study compares crack propagation speed and shape in rock-like material and sandstone when subjected to seismic acceleration. The nonlinear extended finite element method (NXFEM) has been used in numerical simulation. It assumes the model has a pre-existing crack at 0° from the horizontal. The mechanical properties of the model, crack propagation shape, and crack speed were selected as the main parameters. The nonlinear stress and strain along the crack have been compared in two simulated models. NXFEM and Artificial Neural Networks (ANNs) were used to predict the displacement. The simulation results illustrate that the materials’ crack propagation mechanism and mechanical properties control the stress, strain, and displacement at the selected points in the model. In addition, crack propagation in materials is related to elastic-plastic stresses and strains along the crack path. The speed and shape of the crack are associated with the mechanical properties of the materials. The prediction of crack paths helps to understand failure patterns. Comparison of the seismic response of the rock-like material with sandstone helps to assess the stress, strain, and displacement levels during cracking. This study’s findings agree with the literature report and field observations.","PeriodicalId":37424,"journal":{"name":"Advanced Modeling and Simulation in Engineering Sciences","volume":"14 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140007029","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A hybrid twin based on machine learning enhanced reduced order model for real-time simulation of magnetic bearings","authors":"Chady Ghnatios, Sebastian Rodriguez, Jerome Tomezyk, Yves Dupuis, Joel Mouterde, Joaquim Da Silva, Francisco Chinesta","doi":"10.1186/s40323-024-00258-2","DOIUrl":"https://doi.org/10.1186/s40323-024-00258-2","url":null,"abstract":"The simulation of magnetic bearings involves highly non-linear physics, with high dependency on the input variation. Moreover, such a simulation is time consuming and can’t run, within realistic computation time for control purposes, when using classical computation methods. On the other hand, classical model reduction techniques fail to achieve the required precision within the allowed computation window. To address this complexity, this work proposes a combination of physics-based computing methods, model reduction techniques and machine learning algorithms, to tackle the requirements. The physical model used to represent the magnetic bearing is the classical Cauer Ladder Network method, while the model reduction technique is applied on the error of the physical model’s solution. Later on, in the latent space a machine learning algorithm is used to predict the evolution of the correction in the latent space. The results show an improvement of the solution without scarifying the computation time. The solution is computed in almost real-time (few milliseconds), and compared to the finite element reference solution.","PeriodicalId":37424,"journal":{"name":"Advanced Modeling and Simulation in Engineering Sciences","volume":"19 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139669158","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Fast rapidly convergent penetrable scattering computations","authors":"Jagabandhu Paul, Ambuj Pandey, B. V. Rathish Kumar, Akash Anand","doi":"10.1186/s40323-023-00255-x","DOIUrl":"https://doi.org/10.1186/s40323-023-00255-x","url":null,"abstract":"We present a fast high-order scheme for the numerical solution of a volume-surface integro-differential equation. Such equations arise in problems of scattering of time-harmonic acoustic and electromagnetic waves by inhomogeneous media with variable density wherein the material properties jump across the medium interface. The method uses a partition of unity to segregate the interior and the boundary regions of the scattering obstacle, enabling us to make use of specially designed quadratures to deal with the material discontinuities in a high-order manner. In particular, the method uses suitable changes of variables to resolve the singularities present in the integrals in conjunction with a decomposition of Green’s function via the addition theorem. To achieve a reduced computational cost, the method employs a Fast Fourier Transform (FFT) based acceleration strategy to compute the integrals over the boundary region. Moreover, the necessary offgrid evaluation of the density and the inter-grid transfer of data is achieved by applying an FFT-based refined-grid interpolation strategy. We validate the performance of the method through multiple scattering simulations. In particular, the numerical experiments demonstrate that the proposed method can handle high-contrast material properties without any adverse effect on the number of GMRES iterations.","PeriodicalId":37424,"journal":{"name":"Advanced Modeling and Simulation in Engineering Sciences","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139509172","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Dimension independent data sets approximation and applications to classification","authors":"Patrick Guidotti","doi":"10.1186/s40323-023-00256-w","DOIUrl":"https://doi.org/10.1186/s40323-023-00256-w","url":null,"abstract":"We revisit the classical kernel method of approximation/interpolation theory in a very specific context from the particular point of view of partial differential equations. The goal is to highlight the role of regularization by casting it in terms of actual smoothness of the interpolant obtained by the procedure. The latter will be merely continuous on the data set but smooth otherwise. While the method obtained fits into the category of RKHS methods and hence shares their main features, it explicitly uses smoothness, via a dimension dependent (pseudo-)differential operator, to obtain a flexible and robust interpolant, which can adapt to the shape of the data while quickly transitioning away from it and maintaining continuous dependence on them. The latter means that a perturbation or pollution of the data set, small in size, leads to comparable results in classification applications. The method is applied to both low dimensional examples and a standard high dimensioal benchmark problem (MNIST digit classification).","PeriodicalId":37424,"journal":{"name":"Advanced Modeling and Simulation in Engineering Sciences","volume":"217 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139095557","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"An efficient PGD solver for structural dynamics applications.","authors":"Clément Vella, Pierre Gosselet, Serge Prudhomme","doi":"10.1186/s40323-024-00269-z","DOIUrl":"10.1186/s40323-024-00269-z","url":null,"abstract":"<p><p>We propose in this paper a Proper Generalized Decomposition (PGD) solver for reduced-order modeling of linear elastodynamic problems. It primarily focuses on enhancing the computational efficiency of a previously introduced PGD solver based on the Hamiltonian formalism. The novelty of this work lies in the implementation of a solver that is halfway between Modal Decomposition and the conventional PGD framework, so as to accelerate the fixed-point iteration algorithm. Additional procedures such that Aitken's delta-squared process and mode-orthogonalization are incorporated to ensure convergence and stability of the algorithm. Numerical results regarding the ROM accuracy, time complexity, and scalability are provided to demonstrate the performance of the new solver when applied to dynamic simulation of a three-dimensional structure.</p>","PeriodicalId":37424,"journal":{"name":"Advanced Modeling and Simulation in Engineering Sciences","volume":"11 1","pages":"15"},"PeriodicalIF":2.0,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11266232/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141761488","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Data-driven material modeling based on the Constitutive Relation Error.","authors":"Pierre Ladevèze, Ludovic Chamoin","doi":"10.1186/s40323-024-00279-x","DOIUrl":"10.1186/s40323-024-00279-x","url":null,"abstract":"<p><p>Prior to any numerical development, the paper objective is to answer first to a fundamental question: what is the mathematical form of the most general data-driven constitutive model for stable materials, taking maximum account of knowledge from physics and materials science? Here we restrict ourselves to elasto-(visco-)plastic materials under the small displacement assumption. The experimental data consists of full-field measurements from a family of tested mechanical structures. In this framework, a general data-driven approach is proposed to learn the constitutive model (in terms of thermodynamic potentials) from data. A key element that defines the proposed data-driven approach is a tool: the Constitutive Relation Error (CRE); the data-driven model is then the minimizer of the CRE. A notable aspect of this procedure is that it leads to quasi-explicit formulations of the optimal constitutive model. Eventually, a modified Constitutive Relation Error is introduced to take measurement noise into account.</p>","PeriodicalId":37424,"journal":{"name":"Advanced Modeling and Simulation in Engineering Sciences","volume":"11 1","pages":"23"},"PeriodicalIF":2.0,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11655617/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142878044","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Improved accuracy of continuum surface flux models for metal additive manufacturing melt pool simulations.","authors":"Nils Much, Magdalena Schreter-Fleischhacker, Peter Munch, Martin Kronbichler, Wolfgang A Wall, Christoph Meier","doi":"10.1186/s40323-024-00270-6","DOIUrl":"10.1186/s40323-024-00270-6","url":null,"abstract":"<p><p>Computational modeling of the melt pool dynamics in laser-based powder bed fusion metal additive manufacturing (PBF-LB/M) promises to shed light on fundamental mechanisms of defect generation. These processes are accompanied by rapid evaporation so that the evaporation-induced recoil pressure and cooling arise as major driving forces for fluid dynamics and temperature evolution. The magnitude of these interface fluxes depends exponentially on the melt pool surface temperature, which, therefore, has to be predicted with high accuracy. The present work utilizes a diffuse interface finite element model based on a continuum surface flux (CSF) description of interface fluxes to study dimensionally reduced thermal two-phase problems representative for PBF-LB/M in a finite element framework. It is demonstrated that the extreme temperature gradients combined with the high ratios of material properties between metal and ambient gas lead to significant errors in the interface temperatures and fluxes when classical CSF approaches, along with typical interface thicknesses and discretizations, are applied. It is expected that this finding is also relevant for other types of diffuse interface PBF-LB/M melt pool models. A novel parameter-scaled CSF approach is proposed, which is constructed to yield a smoother temperature field in the diffuse interface region, significantly increasing the solution accuracy. The interface thickness required to predict the temperature field with a given level of accuracy is less restrictive by at least one order of magnitude for the proposed parameter-scaled approach compared to classical CSF, drastically reducing computational costs. Finally, we showcase the general applicability of the parameter-scaled CSF to a 3D simulation of stationary laser melting of PBF-LB/M considering the fully coupled thermo-hydrodynamic multi-phase problem, including phase change.</p>","PeriodicalId":37424,"journal":{"name":"Advanced Modeling and Simulation in Engineering Sciences","volume":"11 1","pages":"16"},"PeriodicalIF":2.0,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11341609/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142056789","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}