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A Neural Network Finite Element Trileaflet Heart Valve Model Incorporating Multi-Body Contact

International Journal for Numerical Methods in Biomedical Engineering 2025年第4期41卷 e70038页

作者： Meyer, Kenneth Goodbrake, Christian Sacks, Michael S. James T. Willerson Center for Cardiovascular Modeling and Simulation Oden Institute for Computational Engineering and Sciences Department of Biomedical Engineering The University of Texas at Austin AustinTX United States

The use of patient-specific computational modeling of cardiovascular diseases has become increasingly popular to improve patient standard of care. Most simulation approaches currently utilize the finite element method (FEM), which is very well established and succeeds in producing high-fidelity results. However, it remains too slow for use in clinical settings, especially when many-query solutions are required to determine optimal therapeutic approaches. As a step toward addressing these demands, we have developed a Neural Network Finite Element (NNFE) approach that greatly accelerates simulations of soft tissue organ function. While the NNFE method utilizes conventional FEM meshes to define the problem geometry, it leverages advancements in neural network architecture design in new GPU-based software tools to solve the governing hyperelastic material PDEs. The NNFE method has recently captured physical contact between a deformable body and a frictionless symmetry plane. In the present work, we extended the NNFE approach to simulate trileaflet heart valve closure as a critical step in moving toward patient-specific applications. Our approach addressed two critical aspects of heart valve simulations: the use of 3D solid leaflet models as opposed to shell-based leaflet models and multi-body contact between the leaflets. We verified the approach by comparing displacements of NNFE simulated closure of a single heart valve leaflet against a frictionless symmetry plane with an identical simulation in tIGAr, the open-source isogeometric analysis extension of FEniCS. The average nodal displacement error was 0.020 mm (0.47% of the maximum displacement). We further evaluated our implementation by varying leaflet collagen fiber directions to mimic physiologically accurate deformation modes. Results of the approach indicated that the observed leaflet deformation patterns agreed well with previous trileaflet simulations. Significant variations in stress were observed transmurall

关键词： Open source software

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Theoretical insight into stabilities and optoelectronic properties of RbZnX3 (X=Cl, Br) halide perovskites for energy conversion applications

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Optical and Quantum Electronics 2025年第1期57卷 1-21页

作者： Khan, Naimat Ullah Ghani, Usman khan, Arshad Khan, Asif Nawaz Ullah, Khadim Ali, Roshan Fadhali, Mohammed M. Department of Physics Materials Modeling and Simulation Lab University of Science & Technology Bannu Khyber Pakhtunkhwa Bannu28100 Pakistan Department of Physics University of Science & Technology Bannu Khyber Pakhtunkhwa Bannu28100 Pakistan Theoretical Condensed Matter Physics and Computational Materials Physics Laboratory College of Physical Sciences University of Chinese Academy of Sciences Beijing100049 China Department of Physical Sciences Physics Division College of Science Jazan University P.O. Box. 114 Jazan45142 Saudi Arabia

Owing to the interesting physical characteristics of perovskites, herein, we investigate RbZnX3 (X = Cl, Br) halide perovskites for sustainable green energy applications. All the given structures were made relaxed and minimum energy was attained by employing Birch-Muranghan equation of state. The electronic band structure of the under study materials were calculated through modified-Beck-Johnson potential. Our results showed that all the investigated RbZnX3 (X = Cl, Br) perovskites are semiconductors with band gaps of 1.34, and 0.12 eV, respectively. The calculated tolerance factors, formation energies, Born-Hung criteria, phonon spectra and ab initio molecular dynamic (AIMD) simulations demonstrated that the given compounds exhibit geometrical, thermodynamic, mechanical, dynamic and thermal stabilities. Findings of elastic investigation revealed an elastic, anisotropic, and ductile nature of our predicted compounds. Moreover, all the studied materials revealed strong absorption – 104 cm−1 in the visible and ultraviolet spectrum and the device absorption efficiency (%) was found comparable to other known reported materials. Overall, this study demonstrates that our simulated perovskites are suitable candidates for photovoltaic and optoelectronic applications. © The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2025.

关键词： Bromine compounds

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Structural constitutive models for soft biological tissues and biomaterials: the role of mechanical interactions

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Mechanics of Soft Materials 2025年第1期7卷 1-39页

作者： Motiwale, Shruti Sacks, Michael S. James T. Willerson Center for Cardiovascular Modeling and Simulation The Oden Institute for Computational Engineering and Sciences Austin USA The Department of Mechanical Engineering The University of Texas at Austin Austin USA The Department of Biomedical Engineering The University of Texas at Austin Austin USA

In this review, we explore the development of the structural constitutive models for soft biological tissues and biomaterials, focusing on the role of mechanical interactions. Soft tissues, such as myocardium, heart valves, skin, and other fibrous biological structures, display complex, non-linear mechanical behaviors driven by their fibrous composition. While traditional constitutive models have been widely adopted to describe the anisotropic and hyperelastic nature of these tissues, they often fall short in capturing the detailed mechanical interactions between fibers, the ground matrix, and other tissue components under diverse loading conditions. To address these gaps, we focus on the development of meso-structural models that account for mechanism-driven fiber-matrix and fiber-fiber interactions. We delve into the kinematics of these interactions, highlighting the roles of fiber rotation, extension, and shear, and how these mechanisms differ across various tissues and biomaterials. Our review draws on experimental evidence from studies on exogenously crosslinked tissues, myocardium and electrospun polycarbonate urethane biomaterials, which reveal the presence of significant mechanical interactions that influence the overall stress response. In addition, we also discuss recent advancements in computational methods for implementing these models, particularly neural network-based approaches that mitigate the computational challenges typically associated with structural models while maintaining high predictive accuracy. Finally, we propose future directions for multiscale modeling to enhance our understanding of fiber network topologies and their mechanical roles in both native tissues and biomaterials.

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Matrix Stiffness Regulates Mechanotransduction and Vascular Network Formation of Hipsc-Derived Endothelial Progenitors Encapsulated in 3d Hydrogels

SSRN

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SSRN 2025年

作者： Han, Jiwan Halwachs, Kathleen West, Toni Larsen, Bryce Sacks, Michael S. Rosales, Adrianne M. Zoldan, Janet Department of Biomedical Engineering The University of Texas at Austin AustinTX United States Department of Chemical Engineering The University of Texas at Austin AustinTX United States James T. Willerson Center for Cardiovascular Modeling and Simulation The Oden Institute for Computational Engineering and Sciences AustinTX United States

The mechanical properties of the extracellular matrix (ECM), particularly stiffness, regulate endothelial progenitor responses during vascular development, yet their behavior in physiologically compliant matrices (10 kPa), our results emphasize that vascularization is not solely driven by the most mechanotransductive environment but rather by a balance of compliance, contractility, and cell-induced remodeling. These findings underscore the need to design hydrogels that provide sufficient mechanotransduction for endothelial maturation while maintaining compliance to support dynamic vascular morphogenesis. This work provides a mechanically tuned framework for optimizing microenvironments to balance endothelial differentiation and vascular network formation in tissue engineering and regenerative medicine. © 2025, The Authors. All rights reserved.

关键词： Endothelial cells

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Two-dimensional TiNBr as photocatalyst for overall water splitting

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Physical Review Materials 2025年第2期9卷 025802-025802页

作者： Yatong Wang Geert Brocks Ceren Tayran Süleyman Er DIFFER – Dutch Institute for Fundamental Energy Research De Zaale 20 5612 AJ Eindhoven the Netherlands Materials Simulation and Modeling Department of Applied Physics Eindhoven University of Technology 5600 MB Eindhoven the Netherlands Computational Chemical Physics Faculty of Science and Technology and MESA+ Institute for Nanotechnology University of Twente 7500 AE Enschede the Netherlands Department of Physics Faculty of Science Gazi University Ankara 06500 Turkey

Two-dimensional (2D) Janus materials have gained increasing attention as water-splitting photocatalysts for hydrogen production. We use first-principles calculations to predict a stable 2D Janus T−TiNBr structure with strong near-ultraviolet sunlight absorption and band edges that align favorably with the water redox potentials for oxygen and hydrogen evolution. We show that the optical and electronic properties of T−TiNBr can be modulated to a certain extent by applying external uniaxial strain. Explicit calculations of the redox reactions reveal that solar-driven water splitting is viable at the N-side of T−TiNBr while the Br-side requires modifications such as vacancy creation, the application of an external potential, or adjustment of the pH conditions.

关键词： Redox reactions

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Supporting feature-based parametric modeling by graph rewriting 35

Supporting feature-based parametric modeling by graph rewrit...

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35th International Symposium on Automation and Robotics in Construction and International AEC/FM Hackathon: The Future of Building Things, ISARC 2018

作者： Vilgertshofer, S. Borrmann, A. Department of Computational Modeling and Simulation Technical University of Munich Germany

Sophisticated geometric and semantic models are the basis for many applications in the field of Building Information modeling. While the requirements in terms of detail, flexibility and conformity on those models and thus on the corresponding modeling tools increase, especially in the case of parametric and procedural modeling, open questions remain regarding the support of the user during the modeling process and the loss of modeling knowledge after finishing a modeling task. Graph Theory can be used when addressing these questions. It can be employed to represent parametric models in a vendor-neutral way and to capture modeling operations by formalizing them in graph rewrite rules. This paper describes the further development and generalization of graph-based model creation for the support of feature-based parametric modeling. We show how such procedural 3D models that are based on two-dimensional sketches can be represented by graphs and how modeling steps can be formalized by using rule-based graph rewriting. This approach enables a user to semi automatically reuse previously formalized modeling tasks, thereby supports and accelerates the modeling process and, additionally, allows the formal definition of expert engineering knowledge for later use and reapplication. © ISARC 2018 - 35th International Symposium on Automation and Robotics in Construction and International AEC/FM Hackathon: The Future of Building Things. All rights reserved.

关键词： Graph theory

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Simplifying the analysis of building information models using tQL4BIM and vQL4BIM 22

Simplifying the analysis of building information models usin...

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22nd Workshop of the European Group of Intelligent Computing in Engineering, EG-ICE 2015

作者： Daum, Simon Borrmann, André Department of Computational Modeling and Simulation Technische Universität München Germany

This paper presents a new approach to analyse Building Information Models. Firstly, a domainspecific language in its textual notation is introduced. It is tailored to domain experts with little programming experience. Based on an uncomplicated pattern, the language offers a formal and general method of BIM-analysis. Additionally, its imperative nature and its sequential layout makes a stepwise execution and inspection of intermediate results possible. Thus, complex queries may consist of comprehensible and verifiable statements. As an alternative to textual definitions, we introduce a visual notation for BIM queries. Both the textual and the visual notation are based on the identical abstract syntax and offer the same range of functionalities.

关键词： Query languages

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Efficient and robust octree generation for implementing topological queries for building information models 19

Efficient and robust octree generation for implementing topo...

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19th International Workshop of the European Group for Intelligent Computing in Engineering, EG-ICE 2012

作者： Daum, S. Borrmann, A. Department of Computational Modeling and Simulation Technische Universität München Germany

ISBN: (纸本)9783000384554

The article presents an efficient and robust algorithm to produce an enhanced octree data structure for topological queries in Building Information modeling applications. The major benefit of the presented approach is that also poor-quality geometric data can be used as input for the developed spatial query functionality. Additionally, the runtime behavior of the algorithm is optimized in a way that it makes it suitable for rapid queries in a real world scenario. To achieve this, the octree data structure is supplemented with a grid structure which enables fast information propagation from any leaf cell to its neighbors.

关键词： Topology

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Automatic detailing of parametric sketches by graph transformation 32

Automatic detailing of parametric sketches by graph transfor...

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32nd International Symposium on Automation and Robotics in Construction and Mining: Connected to the Future, ISARC 2015

作者： Vilgertshofer, S. Borrmann, A. Department of Computational Modeling and Simulation Technische Universität München Germany

ISBN: (纸本)9789517585972

In the scope of planning and realizing large infrastructural projects, it is reasonable to create product models as multi-scale models comprising multiple levels of detail (LoD). To avoid inconsistencies among the different LoDs, it is necessary to apply parametric modeling techniques which allow the automatic preservation of the model's consistency across the different LoDs in the case of modifications. Previous research in this area has revealed that the manual creation of consistency preserving parametric product models is a very complex, time consuming and error-prone task. Therefore, research concerning the automation of the detailing processes is necessary. This paper presents a detailing automation approach which is based on graph transformations. It discusses how twodimensional parametric geometric models (sketches) can be represented by graphs and how detailing steps can be realized through graph transformation. A general approach to represent sketches by the use of graphs and the limitations applying to such an approach is described. It is discussed how geometric elements and corresponding parametric constraints of a sketch can be depicted by the nodes and edges of a graph and their attributes. Furthermore, the properties of the graph that are required for a nonambiguous representation are analyzed. Based on those requirements a corresponding graph rewriting system is introduced. The functional capability of the presented theories were validated through a prototypic implementation executing the stepwise detailing of a sketch representing a shield tunnel section.

关键词： Graph theory

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Automated code compliance checking based on a visual language and building information modeling 32

Automated code compliance checking based on a visual languag...

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32nd International Symposium on Automation and Robotics in Construction and Mining: Connected to the Future, ISARC 2015

作者： Preidel, Cornelius Borrmann, André Department of Computational Modeling and Simulation Technische Universität München Germany

ISBN: (纸本)9789517585972

One of the most important issues during the planning of a construction project is to maintain the quality of the design planning constantly at a high level. Therefore this quality must be checked continuously in terms of accuracy and compliance to the applicable codes and guidelines throughout the duration of a project. Nowadays this checking process is laborious, cumbersome and error-prone since it is mostly performed manually based on twodimensional planning and iteratively at each planning change by the responsible planning consultant. Recently, various approaches attempted to automate this highly relevant process with the help of digital methods, such as Building Information modeling, in order to reduce the amount of work and increase the quality of the planning at the same time. Although this Automated Code Compliance Checking has been implemented using a variety of different methods, most of the existing approaches fail because they represent the information of rules in an insufficient or overly complex manner. In this paper a short analysis of the pros and cons of selected existing approaches is given and subsequently minimal requirements for a successful automation of this process are defined. To counteract the lacks and insufficiencies of existing approaches, a new method is introduced which enables an automation using a flow-based, visual programming language, which we call Visual Code Checking Language (VCCL). Finally the practical implementation of a semi-automated compliance check concerning an exemplary German fire code demonstrates the viability of the approach.

关键词： Visual languages

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