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Deep convolutional Ritz method: parametric PDE surrogates without labeled data 深度卷积里兹方法:无标记数据的参数PDE替代
IF 4.4 2区 工程技术 Q1 MATHEMATICS, APPLIED Pub Date : 2023-07-03 DOI: 10.1007/s10483-023-2992-6
J. N. Fuhg, A. Karmarkar, T. Kadeethum, H. Yoon, N. Bouklas

The parametric surrogate models for partial differential equations (PDEs) are a necessary component for many applications in computational sciences, and the convolutional neural networks (CNNs) have proven to be an excellent tool to generate these surrogates when parametric fields are present. CNNs are commonly trained on labeled data based on one-to-one sets of parameter-input and PDE-output fields. Recently, residual-based deep convolutional physics-informed neural network (DCPINN) solvers for parametric PDEs have been proposed to build surrogates without the need for labeled data. These allow for the generation of surrogates without an expensive offline-phase. In this work, we present an alternative formulation termed deep convolutional Ritz method (DCRM) as a parametric PDE solver. The approach is based on the minimization of energy functionals, which lowers the order of the differential operators compared to residual-based methods. Based on studies involving the Poisson equation with a spatially parameterized source term and boundary conditions, we find that CNNs trained on labeled data outperform DCPINNs in convergence speed and generalization abilities. The surrogates generated from the DCRM, however, converge significantly faster than their DCPINN counterparts, and prove to generalize faster and better than the surrogates obtained from both CNNs trained on labeled data and DCPINNs. This hints that the DCRM could make PDE solution surrogates trained without labeled data possibly.

偏微分方程(PDEs)的参数替代模型是计算科学中许多应用的必要组成部分,而卷积神经网络(cnn)已被证明是在参数域存在时生成这些替代模型的绝佳工具。cnn通常基于一对一的参数输入和pde输出字段集来训练标记数据。最近,基于残差的深度卷积物理信息神经网络(DCPINN)求解器被提出用于参数偏微分方程,以在不需要标记数据的情况下构建代理。这样就可以在没有昂贵的离线阶段的情况下生成代理。在这项工作中,我们提出了一种称为深度卷积里兹方法(DCRM)的替代公式作为参数PDE求解器。该方法基于能量函数的最小化,与基于残差的方法相比,它降低了微分算子的阶数。通过对具有空间参数化源项和边界条件的泊松方程的研究,我们发现在标记数据上训练的cnn在收敛速度和泛化能力上都优于DCPINNs。然而,由DCRM生成的代理比DCPINN生成的代理收敛得快得多,并且比用标记数据和DCPINN训练的cnn得到的代理更快更好地泛化。这提示DCRM可以在没有标记数据的情况下训练PDE解决方案代理。
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引用次数: 4
Towards a unified nonlocal, peridynamics framework for the coarse-graining of molecular dynamics data with fractures 面向裂缝分子动力学数据粗粒化的统一非局部周动力学框架
IF 4.4 2区 工程技术 Q1 MATHEMATICS, APPLIED Pub Date : 2023-07-03 DOI: 10.1007/s10483-023-2996-8
H. Q. You, X. Xu, Y. Yu, S. Silling, M. D’Elia, J. Foster

Molecular dynamics (MD) has served as a powerful tool for designing materials with reduced reliance on laboratory testing. However, the use of MD directly to treat the deformation and failure of materials at the mesoscale is still largely beyond reach. In this work, we propose a learning framework to extract a peridynamics model as a mesoscale continuum surrogate from MD simulated material fracture data sets. Firstly, we develop a novel coarse-graining method, to automatically handle the material fracture and its corresponding discontinuities in the MD displacement data sets. Inspired by the weighted essentially non-oscillatory (WENO) scheme, the key idea lies at an adaptive procedure to automatically choose the locally smoothest stencil, then reconstruct the coarse-grained material displacement field as the piecewise smooth solutions containing discontinuities. Then, based on the coarse-grained MD data, a two-phase optimization-based learning approach is proposed to infer the optimal peridynamics model with damage criterion. In the first phase, we identify the optimal nonlocal kernel function from the data sets without material damage to capture the material stiffness properties. Then, in the second phase, the material damage criterion is learnt as a smoothed step function from the data with fractures. As a result, a peridynamics surrogate is obtained. As a continuum model, our peridynamics surrogate model can be employed in further prediction tasks with different grid resolutions from training, and hence allows for substantial reductions in computational cost compared with MD. We illustrate the efficacy of the proposed approach with several numerical tests for the dynamic crack propagation problem in a single-layer graphene. Our tests show that the proposed data-driven model is robust and generalizable, in the sense that it is capable of modeling the initialization and growth of fractures under discretization and loading settings that are different from the ones used during training.

分子动力学(MD)已经成为设计材料的有力工具,减少了对实验室测试的依赖。然而,在中尺度上直接使用MD来处理材料的变形和破坏在很大程度上仍然遥不可及。在这项工作中,我们提出了一个学习框架,从MD模拟的材料断裂数据集中提取作为中尺度连续体替代的周动力学模型。首先,我们开发了一种新的粗粒化方法,用于自动处理MD位移数据集中的材料断裂及其相应的不连续。该方法受加权基本非振荡(WENO)算法的启发,采用自适应方法自动选择局部最光滑的模板,然后将粗粒材料位移场重构为包含不连续点的光滑解。然后,基于粗粒度MD数据,提出了一种基于两阶段优化的学习方法,以损伤准则推断出最优周动力模型。在第一阶段,我们从没有材料损伤的数据集中识别出最优的非局部核函数,以捕获材料的刚度特性。然后,在第二阶段,从具有断裂的数据中以平滑阶跃函数的形式学习材料损伤准则。结果,得到了一个周动力学代理。作为一个连续体模型,我们的周动力学代理模型可以用于与训练不同网格分辨率的进一步预测任务,因此与MD相比,可以大幅降低计算成本。我们通过对单层石墨烯中动态裂纹扩展问题的几个数值测试来说明所提出方法的有效性。我们的测试表明,所提出的数据驱动模型具有鲁棒性和泛化性,在某种意义上,它能够模拟离散化和加载设置下裂缝的初始化和生长,而这些设置与训练期间使用的不同。
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引用次数: 1
An artificial viscosity augmented physics-informed neural network for incompressible flow 不可压缩流的人工黏度增强物理信息神经网络
IF 4.4 2区 工程技术 Q1 MATHEMATICS, APPLIED Pub Date : 2023-06-22 DOI: 10.1007/s10483-023-2993-9
Yichuan He, Zhicheng Wang, Hui Xiang, Xiaomo Jiang, Dawei Tang

Physics-informed neural networks (PINNs) are proved methods that are effective in solving some strongly nonlinear partial differential equations (PDEs), e.g., Navier-Stokes equations, with a small amount of boundary or interior data. However, the feasibility of applying PINNs to the flow at moderate or high Reynolds numbers has rarely been reported. The present paper proposes an artificial viscosity (AV)-based PINN for solving the forward and inverse flow problems. Specifically, the AV used in PINNs is inspired by the entropy viscosity method developed in conventional computational fluid dynamics (CFD) to stabilize the simulation of flow at high Reynolds numbers. The newly developed PINN is used to solve the forward problem of the two-dimensional steady cavity flow at Re = 1 000 and the inverse problem derived from two-dimensional film boiling. The results show that the AV augmented PINN can solve both problems with good accuracy and substantially reduce the inference errors in the forward problem.

物理知情神经网络(PINN)已被证明在求解一些强非线性偏微分方程(PDE)时是有效的方法,例如Navier-Stokes方程,只需少量的边界或内部数据。然而,很少报道将PINN应用于中等或高雷诺数下的流动的可行性。本文提出了一种基于人工粘性(AV)的PINN,用于求解正、逆流问题。具体而言,PINN中使用的AV受到了传统计算流体动力学(CFD)中开发的熵粘性方法的启发,该方法用于稳定高雷诺数下的流动模拟。利用新开发的PINN求解了雷诺数为1000时二维稳态腔流的正问题和二维膜沸腾的反问题。结果表明,AV增广PINN可以很好地解决这两个问题,并大大降低了前向问题中的推理误差。
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引用次数: 6
Peri-Net-Pro: the neural processes with quantified uncertainty for crack patterns Peri-Net-Pro:裂纹模式的量化不确定性的神经过程
IF 4.4 2区 工程技术 Q1 MATHEMATICS, APPLIED Pub Date : 2023-06-16 DOI: 10.1007/s10483-023-2991-9
M. Kim, G. Lin

This paper develops a deep learning tool based on neural processes (NPs) called the Peri-Net-Pro, to predict the crack patterns in a moving disk and classifies them according to the classification modes with quantified uncertainties. In particular, image classification and regression studies are conducted by means of convolutional neural networks (CNNs) and NPs. First, the amount and quality of the data are enhanced by using peridynamics to theoretically compensate for the problems of the finite element method (FEM) in generating crack pattern images. Second, case studies are conducted with the prototype microelastic brittle (PMB), linear peridynamic solid (LPS), and viscoelastic solid (VES) models obtained by using the peridynamic theory. The case studies are performed to classify the images by using CNNs and determine the suitability of the PMB, LBS, and VES models. Finally, a regression analysis is performed on the crack pattern images with NPs to predict the crack patterns. The regression analysis results confirm that the variance decreases when the number of epochs increases by using the NPs. The training results gradually improve, and the variance ranges decrease to less than 0.035. The main finding of this study is that the NPs enable accurate predictions, even with missing or insufficient training data. The results demonstrate that if the context points are set to the 10th, 100th, 300th, and 784th, the training information is deliberately omitted for the context points of the 10th, 100th, and 300th, and the predictions are different when the context points are significantly lower. However, the comparison of the results of the 100th and 784th context points shows that the predicted results are similar because of the Gaussian processes in the NPs. Therefore, if the NPs are employed for training, the missing information of the training data can be supplemented to predict the results.

本文开发了一种基于神经过程(NPs)的深度学习工具perii - net - pro,用于预测运动磁盘的裂纹模式,并根据具有量化不确定性的分类模式对其进行分类。特别是通过卷积神经网络(cnn)和神经网络(NPs)进行图像分类和回归研究。首先,利用周动力学理论弥补了有限元法在生成裂纹图形图像时存在的问题,提高了数据量和质量;其次,利用周动力理论得到的微弹性脆性(PMB)、线性周动力固体(LPS)和粘弹性固体(VES)模型进行了实例研究。通过案例研究,利用cnn对图像进行分类,并确定PMB、LBS和VES模型的适用性。最后,利用神经网络对裂纹模式图像进行回归分析,预测裂纹模式。回归分析结果证实,使用NPs时,随着epoch数的增加,方差减小。训练结果逐渐改善,方差范围减小到0.035以下。这项研究的主要发现是,即使在训练数据缺失或不足的情况下,NPs也能进行准确的预测。结果表明,如果将上下文点设置为第10、第100、第300和第784,则第10、第100和第300个上下文点的训练信息被故意省略,当上下文点明显较低时,预测结果不同。然而,第100个和784个上下文点的结果比较表明,由于NPs中的高斯过程,预测结果是相似的。因此,如果使用NPs进行训练,可以补充训练数据中缺失的信息来预测结果。
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引用次数: 1
Gas kinetic flux solver based finite volume weighted essentially non-oscillatory scheme for inviscid compressible flows 基于气体动力学通量求解器的无粘可压缩流的有限体积加权本质无振荡格式
IF 4.4 2区 工程技术 Q1 MATHEMATICS, APPLIED Pub Date : 2023-05-30 DOI: 10.1007/s10483-023-3009-9
Lan Jiang, Jie Wu, Liming Yang, Hao Dong

A high-order gas kinetic flux solver (GKFS) is presented for simulating inviscid compressible flows. The weighted essentially non-oscillatory (WENO) scheme on a uniform mesh in the finite volume formulation is combined with the circular function-based GKFS (C-GKFS) to capture more details of the flow fields with fewer grids. Different from most of the current GKFSs, which are constructed based on the Maxwellian distribution function or its equivalent form, the C-GKFS simplifies the Maxwellian distribution function into the circular function, which ensures that the Euler or Navier-Stokes equations can be recovered correctly. This improves the efficiency of the GKFS and reduces its complexity to facilitate the practical application of engineering. Several benchmark cases are simulated, and good agreement can be obtained in comparison with the references, which demonstrates that the high-order C-GKFS can achieve the desired accuracy.

提出了一种用于模拟无粘性可压缩流的高阶气体动力学通量求解器(GKFS)。将有限体积公式中均匀网格上的加权基本无振荡(WENO)格式与基于圆函数的GKFS(C-GKFS)相结合,以较少的网格捕捉流场的更多细节。与目前大多数基于麦克斯韦分布函数或其等价形式构建的GKFS不同,C-GKFS将麦克斯韦分布函数简化为圆函数,这确保了Euler或Navier-Stokes方程能够正确恢复。这提高了GKFS的效率,降低了其复杂性,有利于工程的实际应用。模拟了几个基准情况,与参考文献相比,可以获得良好的一致性,这表明高阶C-GKFS可以达到预期的精度。
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引用次数: 1
Nonlinear vibrations of a composite circular plate with a rigid body 刚体复合圆板的非线性振动
IF 4.4 2区 工程技术 Q1 MATHEMATICS, APPLIED Pub Date : 2023-05-30 DOI: 10.1007/s10483-023-3005-8
Ying Meng, Xiaoye Mao, Hu Ding, Liqun Chen

The influence of weights is usually ignored in the study of nonlinear vibrations of plates. In this paper, the effect of structure weights on the nonlinear vibration of a composite circular plate with a rigid body is presented. The nonlinear governing equations are derived from the generalized Hamilton’s principle and the von Kármán plate theory. The equilibrium configurations due to weights are determined and validated by the finite element method (FEM). A nonlinear model for the vibration around the equilibrium configuration is established. Moreover, the natural frequencies and amplitude-frequency responses of harmonically forced vibrations are calculated. The study shows that the structure weights introduce additional linear and quadratic nonlinear terms into the dynamical model. This leads to interesting phenomena. For example, considering weights increases the natural frequency. Furthermore, when the influence of weights is considered, the vibration response of the plate becomes asymmetrical.

在研究板的非线性振动时,通常忽略重量的影响。本文研究了结构重量对含刚体复合材料圆板非线性振动的影响。非线性控制方程是从广义Hamilton原理和von Kármán板理论导出的。通过有限元法(FEM)确定并验证了由于重量引起的平衡配置。建立了平衡构型周围振动的非线性模型。此外,还计算了谐波强迫振动的固有频率和幅频响应。研究表明,结构权重在动力模型中引入了额外的线性项和二次非线性项。这导致了有趣的现象。例如,考虑权重会增加固有频率。此外,当考虑重量的影响时,板的振动响应变得不对称。
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引用次数: 0
Analytical study of pulsatile mixed electroosmotic and shear-driven flow in a microchannel with a slip-dependent zeta potential 具有滑移依赖zeta电位的微通道中脉动混合电渗透和剪切驱动流动的分析研究
IF 4.4 2区 工程技术 Q1 MATHEMATICS, APPLIED Pub Date : 2023-05-30 DOI: 10.1007/s10483-023-3010-6
D. Banerjee, S. Pati, P. Biswas

The escalation of zeta potential by the influence of wall slip for the electrokinetically modulated flow through a microchannel motivates to consider the impact of hydrodynamic slippage upon the zeta or surface potential. The reported study undergoes an analytical exploration of the pulsatile electroosmosis and shear-actuated flow characteristics of a fluid with a Newtonian model through a microchannel with parallel plates by invoking the reliance of a zeta or surface potential on slippage. The linearized Poisson-Boltzmann and momentum equations are solved analytically to obtain the explicit expression of the electrical potential induced in the electrical double layer (EDL), the flow velocity field, and the volumetric flow rate for an extensive span of parameters. The velocity field proximal to the microchannel wall is observed to enhance by an apparent zeta potential, and is further escalated for a thinner EDL and an oscillating electric field with a higher amplitude. However, near the core region of the microchannel, the flow velocity becomes invariant with the EDL thickness. The result shows that the lower wall velocity contributes to the flow velocity along with the electroosmotic body force and the impact of the velocity of the wall underneath diminishes proximal to the upper wall. Moreover, the volumetric flow rate increases when the thickness of the EDL decreases, owing to the influence of the wall slip. However, for thinner EDLs and medium and higher oscillating Reynolds numbers, the volumetric flow rate varies non-monotonously, correlative to the slip-free and slip cases.

对于通过微通道的电动调制流,由于壁滑移的影响,ζ电势的增加促使人们考虑流体动力学滑移对ζ或表面电势的影响。所报道的研究通过援引ζ或表面电位对滑移的依赖性,对具有牛顿模型的流体通过具有平行板的微通道的脉动电渗和剪切驱动流动特性进行了分析探索。对线性化的Poisson-Boltzmann方程和动量方程进行解析求解,以获得双电层(EDL)中感应电势、流速场和大范围参数的体积流速的显式表达式。观察到微通道壁附近的速度场因表观ζ电位而增强,并且对于较薄的EDL和具有较高振幅的振荡电场,速度场进一步升级。然而,在微通道的核心区域附近,流速随着EDL的厚度而不变。结果表明,较低的壁速度与电渗体力一起对流速有贡献,并且下方壁的速度的影响在接近上壁时减小。此外,由于壁滑移的影响,当EDL的厚度减小时,体积流速增加。然而,对于较薄的EDL和中等和较高的振荡雷诺数,体积流量变化是非单调的,与无滑移和滑移情况相关。
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引用次数: 0
On fracture behavior of inner enamel: a numerical study 内牙釉质断裂行为的数值研究
IF 4.4 2区 工程技术 Q1 MATHEMATICS, APPLIED Pub Date : 2023-05-30 DOI: 10.1007/s10483-023-3007-6
Siyong Liu, Yuanzhi Xu, Richeng Liao, Ge He, Li Ding, Bingbing An, Dongsheng Zhang

The ingenious hierarchical structure of enamel composed of rods and protein produces excellent fracture resistance. However, the fracture resistance mechanism in the inner enamel is unknown. The micromechanical models of enamel are constructed to numerically analyze the mechanical behaviors of the inner enamel with different decussation angles and different decussation planes. The results show that the manner of crack propagation in the inner enamel, including crack bridging, crack deflection, and crack bifurcation, is determined by both the rod decussation angle and the decussation plane. In the case of the strong decussation plane, the fracture strength and the required energy dissipation with the decussation angles of 15° and 30° are much higher than those without decussation, demonstrating that decussation is an important mechanism in improving the fracture resistance of enamel. The maximum tensile stress of enamel with the decussation angle of 15° is slightly higher than that of enamel with the decussation angle of 30°, illustrating that an optimal decussation angle exists which balances the strength and toughness. The synergetic mechanism of the decussation angle and the decussation plane on the crack propagation provides a new design hint for bionic composites.

由棒和蛋白质组成的搪瓷巧妙的分级结构产生了优异的抗断裂性。然而,内釉质的抗断裂机制尚不清楚。建立了搪瓷的微观力学模型,对不同交叠角度和不同交叠平面的内搪瓷的力学行为进行了数值分析。结果表明,搪瓷内部裂纹的扩展方式,包括裂纹桥接、裂纹偏转和裂纹分叉,是由棒的交叉角和交叉平面决定的。在强交叠平面的情况下,交叠角为15°和30°时的断裂强度和所需的能量耗散远高于不交叠的情况,表明交叠是提高牙釉质抗断裂能力的重要机制。交角为15°的搪瓷的最大拉伸应力略高于交角为30°的搪瓷,说明存在一个平衡强度和韧性的最佳交角。交叉角和交叉平面对裂纹扩展的协同作用机制为仿生复合材料的设计提供了新的启示。
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引用次数: 0
A novel way for vibration control of FGM fluid-conveying pipes via NiTiNOL-steel wire rope NiTiNOL钢丝绳控制FGM流体输送管道振动的新方法
IF 4.4 2区 工程技术 Q1 MATHEMATICS, APPLIED Pub Date : 2023-05-30 DOI: 10.1007/s10483-023-3008-7
Jian Zang, Ronghuan Xiao, Yewei Zhang, Liqun Chen

In this study, a coupling model of fluid-conveying pipes made of functionally graded materials (FGMs) with NiTiNOL-steel (NiTi-ST) for vibration absorption is investigated. The vibration responses of the FGM fluid-conveying pipe with NiTi-ST are studied by the Galerkin truncation method (GTM) and harmonic balance method (HBM). The harmonic balance solutions and the numerical results are consistent. Also, the linearized stability of the structure is determined. The effects of the structure parameters on the absorption performance are also studied. The results show that the NiTi-ST is an effective means of vibration absorption. Furthermore, in studying the effect of the NiTi-ST, a closed detached response (CDR) is first observed. It is noteworthy that the CDR may dramatically change the vibration amplitude and that the parameters of the NiTi-ST may determine the emergence or disappearance of the CDR. This vibration absorption device can be extended to offer more general vibration control in engineering applications.

在本研究中,研究了由功能梯度材料(FGM)制成的流体输送管与NiTiNOL钢(NiTi ST)的振动吸收耦合模型。采用伽辽金截断法(GTM)和谐波平衡法(HBM)研究了含NiTi ST的FGM流体输送管的振动响应。谐波平衡解和数值结果是一致的。此外,还确定了结构的线性化稳定性。还研究了结构参数对吸收性能的影响。结果表明,NiTi ST是一种有效的减振手段。此外,在研究NiTi ST的作用时,首次观察到闭合分离反应(CDR)。值得注意的是,CDR可以显著地改变振动幅度,并且NiTi ST的参数可以决定CDR的出现或消失。这种减振装置可以扩展到工程应用中提供更通用的振动控制。
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引用次数: 1
Experimental and simulation studies on similitude design method for shock responses of beam-plate coupled structure 梁板耦合结构冲击响应相似设计方法的试验与仿真研究
IF 4.4 2区 工程技术 Q1 MATHEMATICS, APPLIED Pub Date : 2023-05-30 DOI: 10.1007/s10483-023-3000-8
Lei Li, Zhong Luo, Fengxia He, Jilai Zhou, Hui Ma, Hui Li

The similitude theory helps to understand the physical behaviors of large structures through scaled models. Several papers have studied the similitude of shock issues. However, the dynamic similitude for shock responses of coupled structures is rarely incorporated in open studies. In this paper, scaling laws are derived for the shock responses and spectra of coupled structures. In the presented scaling laws, the geometric distortion and energy loss are considered. The ability of the proposed scaling laws is demonstrated in the simulation and experimental cases. In both cases, the similitude prediction for the prototype’s time-domain waveform and spectrum is conducted with the scaled model and scaling laws. The simulation and experimental cases indicate that the predicted shock responses and spectra agree well with those of the prototype, which verifies the proposed scaling laws for predicting shock responses.

相似理论有助于通过比例模型来理解大型结构的物理行为。几篇论文研究了冲击问题的相似性。然而,耦合结构冲击响应的动力学相似性很少被纳入公开研究中。本文推导了耦合结构的冲击响应和谱的标度律。在所提出的比例律中,考虑了几何畸变和能量损失。仿真和实验证明了所提出的比例律的能力。在这两种情况下,利用比例模型和比例定律对原型的时域波形和频谱进行相似预测。仿真和实验结果表明,预测的冲击响应和谱与原型一致,验证了所提出的预测冲击响应的比例律。
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引用次数: 0
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