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Physics-informed neural network estimation of material properties in soft tissue nonlinear biomechanical models 物理信息神经网络估算软组织非线性生物力学模型中的材料特性
IF 4.1 2区 工程技术 Q1 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-07-16 DOI: 10.1007/s00466-024-02516-x
Federica Caforio, Francesco Regazzoni, Stefano Pagani, Elias Karabelas, Christoph Augustin, Gundolf Haase, Gernot Plank, Alfio Quarteroni

The development of biophysical models for clinical applications is rapidly advancing in the research community, thanks to their predictive nature and their ability to assist the interpretation of clinical data. However, high-resolution and accurate multi-physics computational models are computationally expensive and their personalisation involves fine calibration of a large number of parameters, which may be space-dependent, challenging their clinical translation. In this work, we propose a new approach, which relies on the combination of physics-informed neural networks (PINNs) with three-dimensional soft tissue nonlinear biomechanical models, capable of reconstructing displacement fields and estimating heterogeneous patient-specific biophysical properties and secondary variables such as stresses and strains. The proposed learning algorithm encodes information from a limited amount of displacement and, in some cases, strain data, that can be routinely acquired in the clinical setting, and combines it with the physics of the problem, represented by a mathematical model based on partial differential equations, to regularise the problem and improve its convergence properties. Several benchmarks are presented to show the accuracy and robustness of the proposed method with respect to noise and model uncertainty and its great potential to enable the effective identification of patient-specific, heterogeneous physical properties, e.g. tissue stiffness properties. In particular, we demonstrate the capability of PINNs to detect the presence, location and severity of scar tissue, which is beneficial to develop personalised simulation models for disease diagnosis, especially for cardiac applications.

由于生物物理模型具有预测性,并且能够帮助解释临床数据,因此临床应用生物物理模型的开发在研究界进展迅速。然而,高分辨率和精确的多物理场计算模型计算成本高昂,而且其个性化涉及大量参数的精细校准,这些参数可能与空间有关,这对其临床转化提出了挑战。在这项工作中,我们提出了一种新方法,该方法依赖于物理信息神经网络(PINNs)与三维软组织非线性生物力学模型的结合,能够重建位移场,并估算患者特定的异质生物物理特性以及应力和应变等次要变量。所提出的学习算法从有限的位移数据和某些情况下的应变数据(可在临床环境中常规获取)中获取信息,并将其与基于偏微分方程的数学模型所代表的物理问题相结合,以对问题进行正则化处理并改善其收敛特性。我们提出了几个基准,以显示所提方法在噪声和模型不确定性方面的准确性和鲁棒性,以及其在有效识别患者特定的异质物理特性(如组织刚度特性)方面的巨大潜力。特别是,我们展示了 PINNs 检测疤痕组织的存在、位置和严重程度的能力,这有利于开发用于疾病诊断的个性化模拟模型,尤其是在心脏应用领域。
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引用次数: 0
A discontinuous Galerkin/cohesive zone model approach for the computational modeling of fracture in geometrically exact slender beams 用于几何精确细长梁断裂计算建模的非连续伽勒金/粘合区模型方法
IF 4.1 2区 工程技术 Q1 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-07-12 DOI: 10.1007/s00466-024-02521-0
Sai Kubair Kota, Siddhant Kumar, Bianca Giovanardi

Slender beams are often employed as constituents in engineering materials and structures. Prior experiments on lattices of slender beams have highlighted their complex failure response, where the interplay between buckling and fracture plays a critical role. In this paper, we introduce a novel computational approach for modeling fracture in slender beams subjected to large deformations. We adopt a state-of-the-art geometrically exact Kirchhoff beam formulation to describe the finite deformations of beams in three-dimensions. We develop a discontinuous Galerkin finite element discretization of the beam governing equations, incorporating discontinuities in the position and tangent degrees of freedom at the inter-element boundaries of the finite elements. Before fracture initiation, we enforce compatibility of nodal positions and tangents weakly, via the exchange of variationally-consistent forces and moments at the interfaces between adjacent elements. At the onset of fracture, these forces and moments transition to cohesive laws modeling interface failure. We conduct a series of numerical tests to verify our computational framework against a set of benchmarks and we demonstrate its ability to capture the tensile and bending fracture modes in beams exhibiting large deformations. Finally, we present the validation of our framework against fracture experiments of dry spaghetti rods subjected to sudden relaxation of curvature.

细梁经常被用作工程材料和结构的组成部分。之前对细长梁晶格进行的实验凸显了其复杂的失效响应,其中屈曲和断裂之间的相互作用起到了关键作用。在本文中,我们介绍了一种新颖的计算方法,用于模拟受大变形影响的细长梁的断裂。我们采用最先进的几何精确基尔霍夫梁公式来描述三维梁的有限变形。我们对梁的控制方程进行了非连续 Galerkin 有限元离散化,并在有限元的元间边界加入了位置和切线自由度的非连续性。在断裂开始之前,我们通过在相邻元素之间的界面上交换变化一致的力和力矩,弱化节点位置和切线的兼容性。在断裂开始时,这些力和力矩过渡到模拟界面破坏的内聚法则。我们进行了一系列数值测试,通过一组基准验证了我们的计算框架,并证明了其捕捉大变形梁的拉伸和弯曲断裂模式的能力。最后,我们介绍了我们的框架对受曲率突然松弛影响的干面条杆断裂实验的验证。
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引用次数: 0
A membrane finite element for fast simulation of overlapping beads geometry during direct energy deposition additive manufacturing 用于快速模拟直接能量沉积增材制造过程中重叠珠几何形状的膜有限元
IF 4.1 2区 工程技术 Q1 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-07-10 DOI: 10.1007/s00466-024-02525-w
Eric Feulvarch, Alain Rassineux, Jean-Christophe Roux, Alexey Sova, Cédric Pouvreau, François Josse

The aim of this paper is to propose a fast FEM strategy for simulating molten metal deposition geometry during additive manufacturing for studying the influence of the sequence of deposition on the geometry. The approach is inspired by the algorithm initially proposed by Feulvarch et al. (Eur J Mech A 89:104290, 2021) for coatings. In this article, the membrane finite element is notably improved and extended for simulating of a large stack of deposits in order to study the building of 3D geometries. A constant vertical evolution rate of the surface tension is introduced to adjust the geometry of the free surface of the molten pool which depends on the hydrodynamics of the liquid phase. The simulation is very fast because it is carried out on a 2D mesh composed of linear triangles that corresponds to the sole free surface of the liquid phase at each time step. Moreover, the implicit nonlinear algorithm developed has the advantage of avoiding matrix systems resolution (reduced RAM memory, efficient parallel computing). In addition, a simple and robust remeshing procedure is detailed in order to avoid too large distortions of the triangular elements during the ’inflating’ stage of the workpiece. Its interest lies in the fact that it does not require any field projection typically employed in remeshing procedures, as the geometry serves as the only historical data required to resume FEM computations following each remeshing step. Examples are proposed to clearly evidence the efficiency and robustness of the method developed in terms of geometry and CPU time.

本文旨在提出一种快速有限元方法,用于模拟增材制造过程中熔融金属沉积的几何形状,以研究沉积顺序对几何形状的影响。该方法的灵感来自 Feulvarch 等人最初针对涂层提出的算法(Eur J Mech A 89:104290, 2021)。在本文中,膜有限元得到了显著的改进和扩展,可用于模拟大量沉积物,以研究三维几何结构的构建。引入了恒定的表面张力垂直变化率,以调整熔池自由表面的几何形状,这取决于液相的流体力学。模拟速度非常快,因为它是在由线性三角形组成的二维网格上进行的,每个时间步对应液相的唯一自由表面。此外,所开发的隐式非线性算法具有避免矩阵系统分辨率的优势(减少 RAM 内存,高效并行计算)。此外,为了避免工件在 "充气 "阶段出现过大的三角形元素变形,还详细介绍了一种简单而稳健的重网格程序。该程序的优点在于,它不需要任何通常在重插齿程序中使用的现场投影,因为几何图形是在每个重插齿步骤后恢复有限元计算所需的唯一历史数据。我们提出的示例清楚地证明了所开发方法在几何形状和 CPU 时间方面的效率和稳健性。
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引用次数: 0
Spontaneous emergence of deformation bands in single-crystal plasticity simulations at small strain 小应变时单晶塑性模拟中变形带的自发出现
IF 4.1 2区 工程技术 Q1 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-07-09 DOI: 10.1007/s00466-024-02519-8
M. Ryś, M. Kursa, H. Petryk

In metal single crystals, the observed formation of deformation banding pattern has been explained by greater latent hardening of slip systems than their self-hardening, which promotes spatial segregation of plastic slips and lamination towards single-slip domains. Numerical studies focusing on the formation of deformation bands usually involved initial imperfections, boundary-induced heterogeneity, or the postulate of minimal global energy expenditure which additionally promoted non-uniformity of deformation. This article analyses the case when no such mechanism enforcing locally non-uniform deformation is implemented in the finite element (FE) method, while the global system of equations of incremental equilibrium is solved in a standard way. The new finding in this paper is that the deformation banding pattern can appear spontaneously in FE simulations of homogeneous single crystals even in the absence of any mechanism favouring deformation banding in the numerical code. This has been demonstrated in several examples in the small strain formalism using a plane-strain model in which the twelve fcc slip systems are reduced to three effective plastic slip mechanisms. Incremental slips are determined at the Gauss-point level either by incremental work minimization in the rate-independent case or by rate-dependent regularization. In the rate-independent approach, the trust-region algorithm is developed for the selection of active slip systems with the help of the augmented Lagrangian method. Conditions under which a banding pattern appears spontaneously or is suppressed are discussed. In particular, a critical rate sensitivity exponent is identified.

在金属单晶中,观察到的形变带模式的形成是由于滑移系统的潜伏硬化大于其自硬化,从而促进了塑性滑移的空间分隔和向单滑移域的层叠。关注变形带形成的数值研究通常涉及初始缺陷、边界诱导的异质性或最小全局能量消耗假设,这些都会额外促进变形的不均匀性。本文分析了在有限元(FE)方法中不实施这种强制局部非均匀变形机制的情况,同时以标准方式求解增量平衡的全局方程组。本文的新发现是,即使数值代码中不存在任何有利于变形分带的机制,均匀单晶体的有限元模拟中也会自发出现变形分带模式。这已在小应变形式主义中的几个实例中得到证明,该模型使用的是平面应变模型,其中 12 个 fcc 滑移系统被简化为 3 个有效的塑性滑移机制。在与速率无关的情况下,通过增量功最小化或与速率有关的正则化,在高斯点水平上确定增量滑移。在与速率无关的方法中,借助增强拉格朗日法,开发了用于选择主动滑移系统的信任区域算法。讨论了带状模式自发出现或被抑制的条件。特别是确定了临界速率敏感性指数。
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引用次数: 0
Microplasticity in polycrystalline materials from thermal cycling 热循环对多晶材料的微塑性影响
IF 4.1 2区 工程技术 Q1 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-07-08 DOI: 10.1007/s00466-024-02522-z
Anderson Nascimento, Akhilesh Pedgaonkar, Curt A. Bronkhorst, Irene J. Beyerlein

In this work, we present a finite deformation, fully coupled thermomechanical crystal plasticity framework. The model includes temperature dependence in the kinematic formulation, constitutive law and governing equilibrium equations. For demonstration, we employ the model to study the evolution and formation of residual stresses, residual statistically stored dislocation density and residual lattice rotation due solely to solid state thermal cycling. The calculations reveal the development of microplasticity within the microstructure provided that the temperature change in the thermal cycle is sufficiently large. They also show, for the first time, that the thermal cycling generates an internally evolving strain rate, where the contributions of mechanical strain and plasticity depend on temperature change. The calculations suggest a strong connection between the maximum temperature of a given cycle and the magnitude of the residual stresses generated after the cycle. A pronounced influence of elastic anisotropy on the heterogeneity of the residual stress distribution is also demonstrated here. Finally, we calculate lattice rotation obtained from thermal cycling ranging from (pm 0.4^{circ }) and show the relation between changes in predominant slip systems with short range intragranular lattice rotation gradients. The model can benefit metal process design, especially where large strains and/or large temperature changes are involved, such as bulk forming and additive manufacturing.

在这项工作中,我们提出了一个有限变形、完全耦合的热力学晶体塑性框架。该模型在运动学公式、构成定律和支配平衡方程中都包含了温度依赖性。为了进行演示,我们使用该模型研究了仅由固态热循环引起的残余应力、残余统计存储位错密度和残余晶格旋转的演变和形成。计算结果表明,只要热循环中的温度变化足够大,微结构中就会产生微塑性。计算还首次表明,热循环会产生内部不断变化的应变率,其中机械应变和塑性的贡献取决于温度变化。计算表明,特定循环的最高温度与循环后产生的残余应力大小之间存在密切联系。弹性各向异性对残余应力分布的异质性也有明显影响。最后,我们计算了从 0.4^{circ } (pm 0.4^{circ } )的热循环中获得的晶格旋转,并展示了主要滑移系统的变化与短程晶格内旋转梯度之间的关系。该模型有利于金属工艺流程设计,尤其是涉及大应变和/或大温度变化的工艺流程设计,例如体成型和增材制造。
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引用次数: 0
Parameter identification and uncertainty propagation of hydrogel coupled diffusion-deformation using POD-based reduced-order modeling 利用基于 POD 的降阶建模技术识别水凝胶耦合扩散变形的参数并传播其不确定性
IF 4.1 2区 工程技术 Q1 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-07-08 DOI: 10.1007/s00466-024-02517-w
Gopal Agarwal, Jorge-Humberto Urrea-Quintero, Henning Wessels, Thomas Wick

This study explores reduced-order modeling for analyzing time-dependent diffusion-deformation of hydrogels. The full-order model describing hydrogel transient behavior consists of a coupled system of partial differential equations in which the chemical potential and displacements are coupled. This system is formulated in a monolithic fashion and solved using the finite element method. We employ proper orthogonal decomposition as a model order reduction approach. The reduced-order model performance is tested through a benchmark problem on hydrogel swelling and a case study simulating co-axial printing. Then, we embed the reduced-order model into an optimization loop to efficiently identify the coupled problem’s material parameters using full-field data. Finally, a study is conducted on the uncertainty propagation of the material parameter.

本研究探索了用于分析水凝胶随时间变化的扩散变形的降阶模型。描述水凝胶瞬态行为的全阶模型包括一个耦合偏微分方程系统,其中化学势和位移是耦合的。该系统以整体方式制定,并使用有限元法求解。我们采用适当的正交分解作为模型降阶方法。通过水凝胶溶胀的基准问题和模拟同轴印刷的案例研究,测试了降阶模型的性能。然后,我们将降阶模型嵌入优化循环,利用全场数据有效地确定耦合问题的材料参数。最后,我们对材料参数的不确定性传播进行了研究。
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引用次数: 0
A stabilised Total Lagrangian Element-Free Galerkin method for transient nonlinear solid dynamics 用于瞬态非线性固体动力学的稳定总拉格朗日无元素伽勒金方法
IF 4.1 2区 工程技术 Q1 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-07-03 DOI: 10.1007/s00466-024-02507-y
Hojjat Badnava, Chun Hean Lee, Sayed Hassan Nourbakhsh, Paulo Roberto Refachinho de Campos

This paper presents a new stabilised Element-Free Galerkin (EFG) method tailored for large strain transient solid dynamics. The method employs a mixed formulation that combines the Total Lagrangian conservation laws for linear momentum with an additional set of geometric strain measures. The main aim of this paper is to adapt the well-established Streamline Upwind Petrov–Galerkin (SUPG) stabilisation methodology to the context of EFG, presenting three key contributions. Firstly, a variational consistent EFG computational framework is introduced, emphasising behaviours associated with nearly incompressible materials. Secondly, the suppression of non-physical numerical artefacts, such as zero-energy modes and locking, through a well-established stabilisation procedure. Thirdly, the stability of the SUPG formulation is demonstrated using the time rate of Hamiltonian of the system, ensuring non-negative entropy production throughout the entire simulation. To assess the stability, robustness and performance of the proposed algorithm, several benchmark examples in the context of isothermal hyperelasticity and large strain plasticity are examined. Results show that the proposed algorithm effectively addresses spurious modes, including hour-glassing and spurious pressure fluctuations commonly observed in classical displacement-based EFG frameworks.

本文介绍了一种专为大应变瞬态固体动力学量身定制的新型稳定无元素伽勒金(EFG)方法。该方法采用混合表述,将线性动量的总拉格朗日守恒定律与一组额外的几何应变测量相结合。本文的主要目的是将成熟的流线上风 Petrov-Galerkin (SUPG) 稳定方法应用于 EFG,并提出了三项主要贡献。首先,引入了变分一致的 EFG 计算框架,强调与几乎不可压缩材料相关的行为。其次,通过成熟的稳定程序,抑制非物理的数值假象,如零能模式和锁定。第三,利用系统的哈密顿时间率证明了 SUPG 公式的稳定性,确保在整个模拟过程中产生非负熵。为了评估所提算法的稳定性、鲁棒性和性能,研究了等温超弹性和大应变塑性背景下的几个基准示例。结果表明,所提出的算法能有效解决假模问题,包括基于位移的经典 EFG 框架中常见的小时玻璃化和假压力波动。
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引用次数: 0
Lattice Boltzmann modelling of bacterial colony patterns 细菌菌落模式的晶格玻尔兹曼建模
IF 4.1 2区 工程技术 Q1 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-07-03 DOI: 10.1007/s00466-024-02518-9
Alessandro De Rosis, Ajay B. Harish, Weiguang Wang

The formation of branches in bacterial colonies is influenced by both chemical interactions (reactions) and the movement of substances through space (diffusion). These colonies can exhibit a variety of fascinating branching patterns due to the interplay of nutrient transport, bacterial growth, and chemotaxis. To understand this complex process, researchers have developed several mathematical models based on solving reaction-diffusion equations. In this letter, we introduce an innovative application of the lattice Boltzmann method to investigate the diverse morphological patterns observed in bacterial colonies. This method is concise, compact, and easy to implement. Our study demonstrates its effectiveness in accurately predicting various types of bacterial colony patterns, offering a new tool to obtain insights into the dynamics of bacterial growth and pattern formation.

细菌菌落中分支的形成受到化学作用(反应)和物质在空间中的移动(扩散)的影响。由于营养物质运输、细菌生长和趋化作用的相互作用,这些菌落可以呈现出各种迷人的分支模式。为了理解这一复杂的过程,研究人员开发了多个基于求解反应-扩散方程的数学模型。在这封信中,我们介绍了格子玻尔兹曼方法的创新应用,以研究在细菌菌落中观察到的各种形态模式。这种方法简洁、紧凑、易于实施。我们的研究证明了该方法在准确预测各类细菌菌落形态方面的有效性,为深入了解细菌生长和形态形成的动力学提供了一种新工具。
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引用次数: 0
A penalty-based cell vertex finite volume method for two-dimensional contact problems 二维接触问题的基于惩罚的单元顶点有限体积法
IF 4.1 2区 工程技术 Q1 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-07-03 DOI: 10.1007/s00466-024-02492-2
Lingkuan Xuan, Chu Yan, Jingfeng Gong, Chenqi Li, HongGang Li

In this paper, a penalty-based cell vertex finite volume method (P-CV-FVM) is proposed for the computation of two-dimensional contact problems. The deformation of objects during contact is described using the Total Lagrangian momentum equation. The governing equations are discretized using the cell vertex finite volume method. The control volume is constructed around each grid node to facilitate the efficient and accurate calculation of contact stress using penalty functions. By analyzing a classic contact example, the appropriate range of scaling factors in the penalty function method is obtained. Multiple contact problems are calculated and the results are compared with those from the finite element method (FEM). The results indicate that a stable and accurate solution can only be obtained with a scaling factor range of 103–1012 under this method. In addition, the mesh convergence of this method is better than that of FEM, and it meets the computational accuracy of Hertz contact and frictional contact problems.

本文提出了一种基于惩罚的单元顶点有限体积法(P-CV-FVM),用于计算二维接触问题。物体在接触过程中的变形用总拉格朗日动量方程来描述。控制方程采用单元顶点有限体积法离散化。在每个网格节点周围构建控制体积,以便使用惩罚函数高效、准确地计算接触应力。通过分析一个经典接触实例,得出了惩罚函数法中适当的缩放因子范围。计算了多个接触问题,并将结果与有限元法(FEM)进行了比较。结果表明,该方法只有在缩放因子范围为 103-1012 时才能获得稳定而精确的解。此外,该方法的网格收敛性优于有限元法,并能满足赫兹接触和摩擦接触问题的计算精度要求。
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引用次数: 0
Coupling effect of large deformation and surface roughness on dynamic frictional contact behaviors of hyperelastic material 大变形和表面粗糙度对超弹性材料动态摩擦接触行为的耦合效应
IF 4.1 2区 工程技术 Q1 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-07-03 DOI: 10.1007/s00466-024-02513-0
Chunfa Wang, Yudong Li, Yan Li, Yajie Fan, Zhiqiang Feng

The energy is a crucial factor in dynamical contact analysis. And the complexity of real-world surface morphologies characterized by roughness, poses a considerable challenge for accurately predicting their dynamic contact behaviors. Hence, it is meaningful to explore the influence of surface roughness on energy dissipation. In this study, the two-dimensional geometry with randomly rough surface is reconstructed based on Karhunen–Loève expansion and isogeometric collocation method. And a contact algorithm is tailored for dynamic frictional contact problems by incorporating the Bi-potential method into isogeometric analysis. Numerical results show that roughness factors such as the correlation length and square roughness of the randomly rough surface significantly affect the maximum ratio of real contact area to the normal contact area and the rate of energy dissipation. This work could provide a reference for future research on the dynamic contact between rough surfaces.

能量是动态接触分析中的一个关键因素。而现实世界中以粗糙度为特征的表面形态非常复杂,这给准确预测其动态接触行为带来了巨大挑战。因此,探索表面粗糙度对能量耗散的影响很有意义。在本研究中,基于卡尔胡宁-洛埃夫扩展和等几何配位法重建了具有随机粗糙表面的二维几何体。通过将 Bi-potential 方法纳入等距分析,为动态摩擦接触问题定制了一种接触算法。数值结果表明,随机粗糙表面的相关长度和平方粗糙度等粗糙度因素会显著影响实际接触面积与法向接触面积的最大比值以及能量耗散率。这项工作可为今后粗糙表面之间的动态接触研究提供参考。
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引用次数: 0
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Computational Mechanics
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