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Efficient prediction of phase-field crystal dynamics via β-variational autoencoders and time-series transformers on coupled physical fields 利用β变分自编码器和时间序列变压器在耦合物理场上有效预测相场晶体动力学
IF 2.5 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2025-12-31 DOI: 10.1016/j.camwa.2025.12.024
Zhixian Lv , Jiahao Huang , Chengyang Yue , Junseok Kim , Yibao Li
Dendritic crystal growth is a complex phenomenon that has traditionally required high-fidelity simulations, which are computationally expensive. This study introduces a data-driven reduced-order modeling framework for efficient prediction of dendritic crystal growth. A β-variational autoencoder is utilized to compress coupled physical fields into a compact latent space. We systematically evaluate the impact of the regularization parameter and latent dimensionality on reconstruction accuracy. The trained encoder-decoder pair is integrated into an end-to-end time-series forecasting framework, where multiple representative models are employed to predict future latent dynamics. We investigate the influence of input sequence length and prediction horizon on forecasting accuracy, as well as the inference efficiency of the different models. Numerical experiments on a phase-field crystal growth dataset demonstrate that the proposed approach achieves high reconstruction fidelity, robust predictive performance, and significant reduction in computational cost. This offers a practical solution for fast modeling and multi-scale dynamics prediction in complex physical systems.
枝晶生长是一种复杂的现象,传统上需要高保真度的模拟,这在计算上是昂贵的。本研究引入了一种数据驱动的降阶建模框架,用于有效预测枝晶生长。利用β变分自编码器将耦合的物理场压缩到紧凑的潜在空间中。系统地评价了正则化参数和潜在维数对重建精度的影响。将训练好的编码器-解码器对集成到端到端的时间序列预测框架中,其中使用多个代表性模型来预测未来的潜在动态。我们研究了输入序列长度和预测范围对预测精度的影响,以及不同模型的推理效率。在相场晶体生长数据集上进行的数值实验表明,该方法具有较高的重建保真度、较强的预测性能和显著的计算成本降低。这为复杂物理系统的快速建模和多尺度动力学预测提供了一种实用的解决方案。
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引用次数: 0
Solving fluid flow problems in space-time with multiscale stabilization: Formulation and examples 用多尺度稳定方法求解时空流体流动问题:公式和实例
IF 2.5 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2025-12-30 DOI: 10.1016/j.camwa.2025.12.019
Biswajit Khara , Robert Dyja , Kumar Saurabh , Anupam Sharma , Baskar Ganapathysubramanian
We present a space-time continuous-Galerkin finite element method for solving incompressible Navier-Stokes equations. To ensure stability of the discrete variational problem, we apply ideas from the variational multi-scale method. The finite element problem is posed on the “full” space-time domain, considering time as another dimension. We provide a rigorous analysis of the stability and convergence of the stabilized formulation. And finally, we apply this method on two benchmark problems in computational fluid dynamics, namely, lid-driven cavity flow and flow past a circular cylinder. We validate the current method with existing results from literature and show that very large space-time blocks can be solved using our approach.
给出了求解不可压缩Navier-Stokes方程的一种时空连续galerkin有限元方法。为了保证离散变分问题的稳定性,我们应用了变分多尺度方法的思想。有限元问题是在“全”时空域中提出的,将时间视为另一个维度。我们对稳定公式的稳定性和收敛性进行了严格的分析。最后,将该方法应用于计算流体力学中的两个基准问题,即盖子驱动的空腔流动和经过圆柱的流动。我们用文献中的现有结果验证了当前的方法,并表明可以使用我们的方法解决非常大的时空块。
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引用次数: 0
A high-order discontinuous Galerkin method for the numerical modeling of epileptic seizures 癫痫发作数值模拟的高阶不连续伽辽金方法
IF 2.5 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2025-12-29 DOI: 10.1016/j.camwa.2025.12.017
Caterina B. Leimer Saglio, Stefano Pagani, Mattia Corti, Paola F. Antonietti
Epilepsy is a neurological disorder characterized by recurrent and spontaneous seizures consisting of abnormal high-frequency electrical activity in the brain. In this condition, the transmembrane potential dynamics are characterized by rapid and sharp wavefronts traveling along the heterogeneous and anisotropic conduction pathways of the brain. This work employs the monodomain model, coupled with specific models characterizing ion concentration dynamics, to mathematically describe brain tissue electrophysiology in grey and white matter at the organ scale. This multiscale model is discretized in space with the high-order discontinuous Galerkin method on polygonal and polyhedral grids (PolyDG) and advanced in time with a Crank-Nicolson scheme. This ensures efficient and accurate simulations of the high-frequency electrical activity that is responsible for epileptic seizure, and keeps reasonably low the computational costs by a suitable combination of high-order approximations and agglomerated polytopal meshes. We numerically investigate synthetic test cases on a two-dimensional heterogeneous squared domain discretized with a polygonal grid, and on a two-dimensional brainstem in a sagittal plane with an agglomerated polygonal grid that takes advantage of the flexibility of the PolyDG approximation of the semidiscrete formulation. Finally, we provide a theoretical analysis of stability and an a-priori convergence analysis for a simplified mathematical problem.
癫痫是一种神经系统疾病,其特征是反复发作和自发发作,包括大脑中异常的高频电活动。在这种情况下,跨膜电位动力学的特点是沿大脑的非均质和各向异性传导通路快速而尖锐的波前。本研究采用单域模型,结合表征离子浓度动力学的特定模型,在器官尺度上对灰质和白质的脑组织电生理进行数学描述。该多尺度模型在多边形和多面体网格(PolyDG)上采用高阶不连续Galerkin方法在空间上离散化,并采用Crank-Nicolson格式在时间上推进。这确保了对导致癫痫发作的高频电活动的有效和准确的模拟,并通过高阶近似和聚集多边形网格的适当组合保持合理的低计算成本。我们在用多边形网格离散的二维非均匀平方域和利用半离散公式的PolyDG近似的灵活性利用聚类多边形网格在矢状面上的二维脑干上进行了数值研究。最后,我们对一个简化的数学问题进行了稳定性的理论分析和先验收敛分析。
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引用次数: 0
Efficient matching boundary conditions of two-dimensional honeycomb lattice for atomic simulations 二维蜂窝晶格原子模拟的有效匹配边界条件
IF 2.5 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2025-12-29 DOI: 10.1016/j.camwa.2025.12.015
Baiyili Liu , Songsong Ji , Gang Pang , Shaoqiang Tang , Lei Zhang
In this paper, we design a series of matching boundary conditions for a two-dimensional compound honeycomb lattice, which has an explicit and simple form, high computing efficiency and good effectiveness of suppressing boundary reflections. First, we formulate the dynamic equations and calculate the dispersion relation for the harmonic honeycomb lattice, then symmetrically choose specific atoms near the boundary to design different forms of matching boundary conditions. The boundary coefficients are determined by matching a residual function at some selected wavenumbers. Several atomic simulations are performed to test the effectiveness of matching boundary conditions in the example of a harmonic honeycomb lattice and a nonlinear honeycomb lattice with the FPU-β potential. Numerical results illustrate that the low-order matching boundary conditions mainly treat long waves, while the high-order matching boundary conditions can efficiently suppress short waves and long waves simultaneously. Decaying kinetic energy curves indicate the stability of matching boundary conditions in numerical simulations.
本文针对二维复合蜂窝晶格设计了一系列匹配边界条件,其形式明确简单,计算效率高,抑制边界反射效果好。首先,我们建立了谐波蜂窝晶格的动力学方程并计算了色散关系,然后在边界附近对称地选择特定的原子来设计不同形式的匹配边界条件。边界系数是通过在一些选定的波数上匹配残差函数来确定的。以谐波蜂窝晶格和具有FPU-β电位的非线性蜂窝晶格为例,进行了原子模拟,验证了边界条件匹配的有效性。数值结果表明,低阶匹配边界条件主要处理长波,而高阶匹配边界条件可以有效地同时抑制短波和长波。在数值模拟中,动能衰减曲线表明了匹配边界条件的稳定性。
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引用次数: 0
New highly efficient and accurate numerical scheme for the Cahn-Hilliard-Brinkman system 新的高效精确的Cahn-Hilliard-Brinkman系统数值格式
IF 2.5 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2025-12-29 DOI: 10.1016/j.camwa.2025.12.016
Dawei Chen, Qinzhen Ren, Minghui Li
In this paper, based on a generalized scalar auxiliary variable approach with relaxation (R-GSAV), we construct a class of high-order backward differentiation formula (BDF) schemes with variable time steps for the Cahn-Hilliard-Brinkman(CHB) system. In theory, it is strictly proved that the designed schemes are unconditionally energy-stable. With the delicate treatment of adaptive strategies, we propose several adaptive time-stepping algorithms to enhance the robustness of the schemes. More importantly, a novel hybrid-order adaptive time steps algorithm performs outstanding for the coupled system. The hybrid-order algorithm inherits the advantages of some traditional high-order BDF adaptive strategies. A comprehensive comparison with some adaptive time-stepping algorithms is given, and the advantages of the new adaptive time-stepping algorithms are emphasized. Finally, the effectiveness and accuracy of the new methods are validated through a series of numerical experiments.
本文基于广义标量松弛辅助变量方法(R-GSAV),构造了一类具有变时间步长的Cahn-Hilliard-Brinkman(CHB)系统的高阶后向微分公式格式(BDF)。从理论上严格证明了所设计的方案是无条件能量稳定的。通过对自适应策略的精细处理,我们提出了几种自适应时间步进算法来增强方案的鲁棒性。更重要的是,一种新的混合阶自适应时间步长算法在耦合系统中表现出色。混合阶算法继承了一些传统高阶BDF自适应策略的优点。与一些自适应时间步进算法进行了全面比较,强调了新算法的优点。最后,通过一系列数值实验验证了新方法的有效性和准确性。
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引用次数: 0
An efficient hybrid Fourier KAN-SepONet solver for the high-frequency Helmholtz equation and convergence analysis 高频亥姆霍兹方程的高效混合傅里叶KAN-SepONet求解器及收敛性分析
IF 2.5 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2025-12-29 DOI: 10.1016/j.camwa.2025.12.006
Rui Zhang , Yu Gao
The high-frequency Helmholtz equations are extensively emerging in many fields, such as seismic wave detection, medicine, and the military. Deep neural networks have shown promise in solving differential equations, yet remain challenged by the ill-conditioning of high-frequency Helmholtz operators. To address this, we propose a Hybrid Fourier KAN-SepONet solver for high-frequency Helmholtz equations. Our approach transforms the problem into a well conditioned integral operator equation using potential theory, approximates the integral operator efficiently via SepONet, and solves it with a physics-informed Fourier KAN. We prove the reformulated equation is a second-kind Fredholm system and analyze convergence through the condition number of the training matrix. Numerical results confirm the solver’s efficiency.
高频亥姆霍兹方程广泛应用于地震波探测、医学、军事等领域。深度神经网络在解决微分方程方面显示出了希望,但仍然受到高频亥姆霍兹算子的不良条件的挑战。为了解决这个问题,我们提出了高频亥姆霍兹方程的混合傅立叶KAN-SepONet求解器。我们的方法使用势理论将问题转化为条件良好的积分算子方程,通过SepONet有效地逼近积分算子,并使用物理知识丰富的傅里叶KAN来解决它。通过训练矩阵的条件数证明了该方程是第二类Fredholm系统,并分析了其收敛性。数值结果证实了该求解器的有效性。
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引用次数: 0
A discrete perfectly matched layer for peridynamic scalar waves in two-dimensional viscous media 二维粘性介质中周动力标量波的离散完美匹配层
IF 2.5 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2025-12-29 DOI: 10.1016/j.camwa.2025.12.007
Yu Du , Yonglin Li , Jiwei Zhang
In this paper, we propose a discrete perfectly matched layer (PML) for the peridynamic scalar wave-type problems in viscous media. Constructing PMLs for nonlocal models is often challenging, mainly due to the fact that nonlocal operators are usually associated with various kernels. We first convert the continua model to a spatial semi-discretized version by adopting quadrature-based finite difference scheme, and then derive the PML equations from the semi-discretized equations using discrete analytic continuation. The harmonic exponential fundamental solutions (plane wave modes) of the semi-discretized equations are absorbed by the PML layer without reflection and are exponentially damped. The excellent efficiency and stability of discrete PML are demonstrated in numerical tests by comparison with exact absorbing boundary conditions.
本文提出了一种离散完美匹配层(PML),用于求解粘性介质中周期动力标量波型问题。为非局部模型构建pml通常具有挑战性,这主要是因为非局部操作符通常与各种核相关联。首先采用基于正交的有限差分格式将连续模型转换为空间半离散模型,然后利用离散解析延拓从半离散方程导出PML方程。半离散方程的谐波指数基解(平面波模式)被PML层不反射地吸收并呈指数阻尼。通过与精确吸收边界条件的比较,在数值试验中证明了离散PML具有良好的效率和稳定性。
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引用次数: 0
Analysis of the weighted shifted boundary method for the Poisson and Stokes problems 泊松和斯托克斯问题的加权移边法分析
IF 2.5 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2025-12-27 DOI: 10.1016/j.camwa.2025.12.011
Nabil M. Atallah , Claudio Canuto , Guglielmo Scovazzi
The Shifted Boundary Method (SBM) belongs to the class of unfitted (or immersed, or embedded) finite element methods, and relies on reformulating the original boundary value problem over a surrogate (approximate) computational domain. Accuracy is maintained by properly shifting the location and values of the boundary conditions. This avoids integration over cut cells and the associated implementation issues. Recently, the Weighted SBM (WSBM) was proposed for the Navier-Stokes equations with free surfaces and the Stokes flow with moving boundaries. The attribute “weighted” in the name WSBM stems from the fact that its variational form is weighted with the elemental volume fraction of active fluid. The motivation for the development of the WSBM was the preservation of the volume of active fluid to a higher degree of accuracy, which in turn resulted in improved stability and robustness characteristics in moving-boundary, time-dependent simulations. In this article, we present the numerical analysis of the WSBM formulations for the Poisson and Stokes problems. We give mathematical conditions under which the bilinear forms defining the discrete variational formulations are uniformly coercive (Poisson problem) or inf-sup stable (Stokes problem). By these results, stability and optimal convergence is proven in the natural norm; L2-error estimates can also be derived.
平移边界法(SBM)属于一类非拟合(或浸入或嵌入)有限元方法,它依赖于在代理(近似)计算域上重新表述原始边值问题。通过适当地移动边界条件的位置和值来保持精度。这避免了对切割单元的集成和相关的实现问题。最近,针对具有自由曲面的Navier-Stokes方程和具有运动边界的Stokes流,提出了加权SBM (WSBM)。WSBM名称中的“加权”属性源于其变分形式是用活性流体的元素体积分数加权的。开发WSBM的动机是在更高的精度下保持活动流体的体积,这反过来又提高了移动边界、依赖时间的模拟的稳定性和鲁棒性。在本文中,我们给出了泊松和斯托克斯问题的WSBM公式的数值分析。给出了定义离散变分公式的双线性形式是一致强制的(泊松问题)或不稳定的(斯托克斯问题)的数学条件。通过这些结果,证明了算法在自然范数下的稳定性和最优收敛性;l2误差估计也可以推导出来。
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引用次数: 0
Artificial Neural Network-Based Parameter Estimation in Lattice Boltzmann Simulations of MHD Nanofluid Natural Convection with Oscillating Wall Temperature 基于人工神经网络的MHD纳米流体自然对流振荡壁温晶格Boltzmann模拟参数估计
IF 2.5 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2025-12-27 DOI: 10.1016/j.camwa.2025.12.020
C Venkata Lakshmi , Anuradha Aravapalli , K Venkatadri , Hakan F. Öztop
This study investigates magnetohydrodynamic natural convection of nanofluids in a square cavity subjected to sinusoidally varying thermal boundary conditions along the bottom wall. Understanding such flows is important for applications in thermal management, energy systems, and materials processing. The problem is solved using the lattice Boltzmann method coupled with an artificial neural network model to accelerate prediction of heat transfer responses. A comprehensive parametric analysis is performed for Rayleigh numbers up to 106, Hartmann numbers up to 40, nanoparticle concentrations up to 4%, and a range of thermal wavelength parameters. The results show that the oscillatory thermal boundary significantly modifies flow structures and heat transfer characteristics: for example, at Ra=106 and τ=0.5, the average Nusselt number is enhanced by nearly 28% compared with uniform heating, while strong magnetic damping (Ha=40) reduces it by about 35%. The neural network model reproduces LBM results with prediction errors below 2%, offering rapid estimation of Nusselt numbers across the studied parameter space. The novelty of this work lies in combining a high-fidelity lattice Boltzmann solver with data-driven prediction to study magnetically controlled nanofluid convection under oscillatory heating, an area not previously addressed in the literature. These findings provide new insights into the manipulation of convective transport in multiphysics thermal systems.
本文研究了沿底壁沿正弦变化的热边界条件下方形腔内纳米流体的磁流体力学自然对流。了解这种流动对于热管理、能源系统和材料加工的应用非常重要。采用晶格玻尔兹曼方法结合人工神经网络模型来加速传热响应的预测。一个全面的参数分析进行瑞利数高达106,哈特曼数高达40,纳米颗粒浓度高达4%,和热波长参数的范围。结果表明,振荡热边界显著改变了流动结构和换热特性:例如,在Ra=106和τ=0.5时,平均努塞尔数比均匀加热时提高了近28%,而强磁阻尼(Ha=40)使努塞尔数降低了约35%。神经网络模型以低于2%的预测误差再现LBM结果,在所研究的参数空间中提供对努塞尔数的快速估计。这项工作的新颖之处在于将高保真晶格玻尔兹曼解算器与数据驱动预测相结合,以研究振荡加热下的磁控纳米流体对流,这是以前文献中未涉及的领域。这些发现为多物理场热系统中对流输运的操纵提供了新的见解。
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引用次数: 0
Low-cost adaptive characteristic finite element method for incompressible natural convection problems 不可压缩自然对流问题的低成本自适应特征有限元方法
IF 2.5 2区 数学 Q1 MATHEMATICS, APPLIED Pub Date : 2025-12-26 DOI: 10.1016/j.camwa.2025.12.008
Bowen Ren , Jilian Wu , Ning Li , Leilei Wei
This paper firstly adopt a novel low-complexity finite element method for incompressible natural convection problems, which is based on the characteristic finite element method (CFEM) and achieves higher-order accuracy by introducing the time filter (TF) technique. The new method effectively addresses inherent limitations of the characteristic finite element method while retaining its essential advantages. By applying the TF to postprocess solutions obtained from the first-order characteristic finite element method (CFEM-1), we achieve a non-intrusive enhancement to existing code frameworks, boosting temporal accuracy by one order. Secondly, this paper constructs two error operators without increasing complexity, thus facilitating the construction of a new adaptive algorithm conveniently. Additionally, we consturct adaptive CFEM and adaptive CFEM plus TF. Subsequently, this paper proves the unconditional stability of the constant time stepsize CFEM plus TF. Lastly, numerical experiments presented to validate the theoretical analysis and substantiate the aforementioned propositions.
本文首先在特征有限元法(CFEM)的基础上,采用一种新的低复杂度有限元方法求解不可压缩自然对流问题,并通过引入时间滤波器(TF)技术实现了高阶精度。新方法有效地解决了特征有限元法固有的局限性,同时保留了特征有限元法的本质优势。通过将TF应用于从一阶特征有限元法(cfm -1)获得的后处理解,我们实现了对现有代码框架的非侵入性增强,将时间精度提高了一个阶。其次,本文在不增加复杂度的情况下构造了两个误差算子,方便了新的自适应算法的构造。此外,构造了自适应CFEM和自适应CFEM + TF。随后,证明了等时间步长CFEM + TF的无条件稳定性。最后,通过数值实验验证了理论分析,证实了上述结论。
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引用次数: 0
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Computers & Mathematics with Applications
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