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A variationally consistent and asymptotically convergent phase-field model for solute precipitation and dissolution 溶质析出和溶解的变分一致渐近收敛相场模型
IF 3.8 2区 物理与天体物理 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2026-01-08 DOI: 10.1016/j.jcp.2026.114665
Andrea Lamperti, Laura De Lorenzis
We propose a novel phase-field model for solute precipitation and dissolution in liquid solutions. Unlike in previous studies with similar scope, in our model the two non-linear coupled governing equations of the problem, which deliver the solute ion concentration and the phase-field variable, are derived in a variationally consistent way starting from a free energy functional of Modica-Mortola type. The phase-field variable is assumed to follow the non-conservative Allen-Cahn evolution law, whereas the solute ion concentration obeys the conservative Cahn-Hilliard equation. We also assess the convergence of the new model to the corresponding sharp-interface model via the method of matched asymptotic expansions, and derive a novel expression of the reaction rate of the sharp-interface model. Through a finite element discretization, we present several numerical examples in one, two and three dimensions.
我们提出了溶质在溶液中析出和溶解的相场模型。与以往类似范围的研究不同,在我们的模型中,问题的两个非线性耦合控制方程(传递溶质离子浓度和相场变量)以变分一致的方式从Modica-Mortola型自由能泛函开始推导。假设相场变量遵循非保守的Allen-Cahn演化规律,而溶质离子浓度遵循保守的Cahn-Hilliard方程。通过匹配渐近展开的方法,我们评估了新模型对相应的锐界面模型的收敛性,并推导了锐界面模型反应速率的新表达式。通过有限元离散,给出了一维、二维和三维的数值算例。
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引用次数: 0
Non -degenerate marginal-likelihood calibration with application to quantum characterization 非退化边际似然定标及其在量子表征中的应用
IF 3.8 2区 物理与天体物理 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2026-01-08 DOI: 10.1016/j.jcp.2026.114655
Mohammad Motamed , N. Anders Petersson
We propose a marginal likelihood strategy within the Kennedy-O’Hagan (KOH) Bayesian framework, where a Gaussian process (GP) models the discrepancy between a physical system and its simulator. Our approach introduces a novel marginalized likelihood by integrating out the degenerate eigenspace of the covariance matrix, rather than approximating the original likelihood. Unlike approximation methods that compromise accuracy for computational efficiency, our method defines an exact likelihood—distinct from the original but preserving all relevant information. This formulation achieves computational efficiency and stability, even for large datasets where the covariance matrix nears degeneracy. Applied to the characterization of a superconducting quantum device at Lawrence Livermore National Laboratory, the approach enhances the predictive accuracy of the Lindblad master equations for modeling Ramsey measurement data by effectively quantifying uncertainties consistent with the quantum data.
我们在Kennedy-O 'Hagan (KOH)贝叶斯框架中提出了一种边际似然策略,其中高斯过程(GP)模拟物理系统与其模拟器之间的差异。我们的方法通过积分协方差矩阵的退化特征空间引入了一种新的边缘似然,而不是近似原始似然。与为了计算效率而牺牲精度的近似方法不同,我们的方法定义了一个精确的似然——与原始的不同,但保留了所有相关信息。该公式实现了计算效率和稳定性,即使对于协方差矩阵接近退化的大型数据集也是如此。应用于劳伦斯利弗莫尔国家实验室超导量子器件的表征,该方法通过有效量化与量子数据一致的不确定性,提高了模拟拉姆齐测量数据的Lindblad主方程的预测精度。
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引用次数: 0
A Central Differential flux with high-Order dissipation for robust simulations of transcritical flows 跨临界流动鲁棒模拟的高阶耗散中心微分通量
IF 3.8 2区 物理与天体物理 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2026-01-07 DOI: 10.1016/j.jcp.2026.114653
Bonan Xu , Chang Sun , Peixu Guo
The simulation of transcritical flows remains challenging due to strong thermodynamic nonlinearities that induce spurious pressure oscillations in conventional schemes.While primitive-variable formulations offer improved robustness under such conditions, they are always limited by energy conservation errors and the absence of systematic high-order treatments for numerical fluxes. In this paper, we introduce the Central Differential flux with High-Order Dissipation (CDHD), a novel numerical flux solver designed for primitive-variable discretization. This method combines a central flux for advection with a minimal, upwind-biased dissipation term to stabilize the simulation while maintaining formal accuracy. The dissipation term effectively suppresses oscillations and improves stability in transcritical flows. Compared to traditional primitive-variable approaches, CDHD reduces the energy conservation error in two order of magnitude. When incorporated into a hybrid framework with a conservative shock-capturing scheme, the method robustly handles both smooth transcritical phenomena and shock waves. Numerical tests validate the accuracy, stability, and energy-preserving capabilities of CDHD, demonstrating its potential as a reliable tool for complex real-gas flow simulations.
跨临界流动的模拟仍然具有挑战性,因为在传统的方案中,强烈的热力学非线性会导致虚假的压力振荡。虽然原始变量公式在这种情况下提供了更好的鲁棒性,但它们总是受到能量守恒误差和缺乏系统的高阶数值通量处理的限制。本文介绍了一种新颖的高阶耗散中心微分通量求解器(CDHD),它是一种用于原始变量离散化的数值通量求解器。该方法将平流的中心通量与最小的逆风偏置耗散项结合起来,在保持形式精度的同时稳定模拟。在跨临界流动中,耗散项有效地抑制了振荡,提高了稳定性。与传统的原始变量方法相比,CDHD将节能误差降低了两个数量级。当将该方法与保守激波捕获方案结合到混合框架中时,该方法对光滑跨临界现象和激波都具有鲁棒性。数值测试验证了CDHD的准确性、稳定性和节能能力,证明了它作为复杂真实气体流动模拟的可靠工具的潜力。
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引用次数: 0
ECLEIRS: Exact conservation law embedded identification of reduced states for parameterized nonlinear conservation laws from sparse and noisy data ECLEIRS:基于稀疏和噪声数据的参数化非线性守恒律的精确守恒嵌入识别
IF 3.8 2区 物理与天体物理 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2026-01-07 DOI: 10.1016/j.jcp.2026.114651
Aviral Prakash, Ben S. Southworth, Marc L. Klasky
Multi-query applications such as parameter estimation, uncertainty quantification and design optimization for parameterized partial differential equation (PDE) systems are expensive. While reduced/latent state dynamics approaches for parameterized PDEs offer a viable alternative, these approaches rely on high-quality data and struggle with highly sparse spatiotemporal noisy measurements typically obtained from experiments. Furthermore, there is no guarantee that these models satisfy governing physical conservation laws. In this article, we propose a reduced state dynamics approach, referred to as ECLEIRS, that embeds exact conservation in the solution and flux representation by utilizing a space-time divergence-free neural network formulation. We compare ECLEIRS with other reduced state dynamics approaches, those that do not enforce any physical constraints and those with physics-informed loss functions, for three shock-propagation problems: 1-D advection, 1-D Burgers and 2-D Euler equations. The numerical experiments conducted in this study demonstrate that ECLEIRS provides the most accurate prediction of dynamics for unseen parameters even in the presence of highly sparse and noisy data.
参数化偏微分方程(PDE)系统的参数估计、不确定性量化和设计优化等多查询应用是昂贵的。虽然参数化偏微分方程的简化/潜在状态动力学方法提供了一种可行的替代方法,但这些方法依赖于高质量的数据,并且与通常从实验中获得的高度稀疏的时空噪声测量相斗争。此外,也不能保证这些模型满足基本的物理守恒定律。在本文中,我们提出了一种简化状态动力学方法,称为ECLEIRS,它通过利用无时空发散的神经网络公式在解和通量表示中嵌入精确守恒。我们将ECLEIRS与其他简化状态动力学方法(不强制任何物理约束和具有物理通知损失函数的方法)进行比较,以解决三个冲击传播问题:一维平流,一维汉堡和二维欧拉方程。本研究中进行的数值实验表明,即使在高度稀疏和噪声数据存在的情况下,ECLEIRS也能提供最准确的未知参数动力学预测。
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引用次数: 0
Smoothed particle-mesh hydrodynamics (SPMH) for fluid-structure interactions involving thin structures 涉及薄结构的流固相互作用的光滑颗粒网格流体动力学
IF 3.8 2区 物理与天体物理 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2026-01-06 DOI: 10.1016/j.jcp.2025.114650
Tianrun Gao , Mingduo Yuan , Lin Fu
In this study, a general smoothed particle-mesh hydrodynamics (SPMH) method is developed for fluid-structure interaction (FSI), particularly for those involving thin structures. The proposed SPMH method obtains improved accuracy in the user-defined mesh domain, which is typically defined near the thin structures. Meanwhile, SPMH can also preserve the free-surface tracking ability of smoothed particle hydrodynamics (SPH). The SPMH integrates SPH and finite-volume method (FVM), for which the weakly compressible SPH and unstructured arbitrary Lagrangian-Eulerian (ALE) FVM are adopted, respectively. The mesh update of the ALE framework is achieved by combining the finite-element method (FEM) with the spring analogy method. For thin structures, a new beam solver degenerated from the three-dimensional shell is developed based on FVM. In SPMH, the data communication between particle and mesh domains is achieved through activated, non-activated particles of SPH particles and interface points on mesh domain edges. To handle the free-surface flow in the mesh domain, the fluid-phase and void cells are identified according to the non-activated SPH particles, and flux calculation at the free-surface region is designed accordingly. A set of challenging FSI cases involving thin structures is simulated using the proposed SPMH method, and SPMH shows higher accuracy than the previous SPH method, particularly for FSI problems in the specified mesh domain.
在本研究中,发展了一种通用的光滑颗粒网格流体动力学(SPMH)方法,用于流固耦合(FSI),特别是涉及薄结构的流固耦合(FSI)。所提出的SPMH方法在用户自定义网格域中(通常定义在薄结构附近)获得了更高的精度。同时,SPMH还能保持光滑粒子流体力学(SPH)的自由表面跟踪能力。SPMH将SPH法与有限体积法(FVM)相结合,分别采用弱可压缩SPH法和非结构化任意拉格朗日-欧拉(ALE) FVM法。将有限元法与弹簧类比法相结合,实现了ALE框架的网格更新。针对薄型结构,提出了一种基于FVM的三维壳简并梁解算器。在SPMH中,粒子和网格域之间的数据通信是通过SPH粒子的激活粒子、非激活粒子和网格域边缘上的界面点来实现的。为了处理网格域内的自由表面流动,根据非活化SPH颗粒识别出液相和空隙单元,并相应地设计了自由表面区域的通量计算。利用SPMH方法模拟了一组涉及薄结构的具有挑战性的FSI案例,SPMH方法比以前的SPH方法具有更高的精度,特别是对于特定网格域的FSI问题。
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引用次数: 0
Genuinely multi-dimensional stationarity preserving Finite Volume formulation for nonlinear hyperbolic PDEs 非线性双曲偏微分方程的真正多维保持平稳的有限体积公式
IF 3.8 2区 物理与天体物理 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2026-01-06 DOI: 10.1016/j.jcp.2025.114633
Wasilij Barsukow , Mirco Ciallella , Mario Ricchiuto , Davide Torlo
Classical Finite Volume methods for multi-dimensional problems include stabilization (e.g. via a Riemann solver), that is derived by considering several one-dimensional problems in different directions. Such methods therefore ignore a possibly existing balance of contributions coming from different directions, such as the one characterizing multi-dimensional stationary states. Instead of being preserved, they are usually diffused away by such methods. Stationarity preserving methods use a better suited stabilization term that vanishes at the stationary state, allowing the method to preserve it. This work presents a general approach to stationarity preserving Finite Volume methods for nonlinear conservation/balance laws. It is based on a multi-dimensional stationarity preserving quadrature strategy that allows to naturally introduce genuinely multi-dimensional numerical fluxes. The new methods are shown to significantly outperform existing ones even if the latter are of higher order of accuracy and even on non-stationary solutions.
多维问题的经典有限体积方法包括稳定化(例如通过黎曼解算器),它是通过考虑几个一维问题在不同方向上得到的。因此,这种方法忽略了可能存在的来自不同方向的贡献平衡,例如表征多维平稳状态的平衡。它们通常不是保存下来,而是通过这种方法扩散出去。平稳性保持方法使用更合适的稳定项,该稳定项在平稳状态下消失,使方法能够保持它。本文提出了一种非线性守恒/平衡律的保平稳有限体积法的一般方法。它基于一个多维平稳性保持正交策略,允许自然地引入真正的多维数值通量。新方法被证明明显优于现有的方法,即使后者具有更高的精度阶,甚至在非平稳解上。
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引用次数: 0
High-order empirical interpolation methods for real-time solution of parametrized nonlinear PDEs 参数化非线性偏微分方程实时解的高阶经验插值方法
IF 3.8 2区 物理与天体物理 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2026-01-06 DOI: 10.1016/j.jcp.2026.114664
Ngoc Cuong Nguyen
We present novel model reduction methods for rapid solution of parametrized nonlinear partial differential equations (PDEs) in real-time or many-query contexts. Our approach combines reduced basis (RB) space for global approximation of the parametric solution manifold, Galerkin projection of the underlying PDEs onto the RB space for dimensionality reduction, and high-order empirical interpolation for efficient treatment of the nonlinear terms. We propose a class of high-order empirical interpolation methods to derive basis functions and interpolation points by using high-order partial derivatives of the nonlinear terms. We develop error indicator to estimate the interpolation errors and determine parameter points via greedy sampling. Furthermore, we introduce two hyperreduction schemes to construct reduced-order models: one that applies the hyperreduction technique before Newton’s method and another after. The latter scheme significantly reduces hyperreduction errors while maintaining computational efficiency. Numerical results are presented to demonstrate the accuracy and efficiency of our approach.
我们提出了一种新的模型约简方法,用于在实时或多查询环境下快速求解参数化非线性偏微分方程(PDEs)。我们的方法结合了用于参数解流形全局逼近的降基(RB)空间,用于降维的底层偏微分方程的伽辽金投影到RB空间,以及用于有效处理非线性项的高阶经验插值。提出了一类利用非线性项的高阶偏导数来推导基函数和插值点的高阶经验插值方法。我们开发了误差指示器来估计插值误差,并通过贪婪采样确定参数点。此外,我们还介绍了两种构造降阶模型的超约化方案:一种是在牛顿方法之前应用超约化技术,另一种是在牛顿方法之后应用超约化技术。后一种方案在保持计算效率的同时显著降低了超约简误差。数值结果验证了该方法的准确性和有效性。
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引用次数: 0
Analysis of the stability of an immersed elastic surface using the method of regularized Stokeslets 用正则化Stokeslets方法分析浸入式弹性表面的稳定性
IF 3.8 2区 物理与天体物理 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2026-01-05 DOI: 10.1016/j.jcp.2025.114636
Dana Ferranti, Sarah D. Olson
A linear stability analysis of an elastic surface immersed in a viscous fluid is presented. The coupled system is modeled using the method of regularized Stokeslets (MRS), a Lagrangian method for simulating fluid-structure interaction at low Reynolds number. The linearized system is solved in a doubly periodic domain in a 3D fluid. The eigenvalues determine the theoretical critical time step for numerical stability for a forward Euler time integration, which are then verified numerically across several regularization functions, elastic models, and parameter choices. New doubly periodic regularized Stokeslets are presented, allowing for comparison of the stability properties of different regularization functions. The stability results for a common regularization function are approximated by a power law relating the regularization parameter and the surface discretization for two different elastic models. This relationship is empirically shown to hold in the different setting of a finite surface in a bulk fluid.
给出了浸入粘性流体中的弹性表面的线性稳定性分析。采用正则化Stokeslets (MRS)方法对耦合系统进行建模,这是一种用于模拟低雷诺数流固耦合的拉格朗日方法。在三维流体的双周期域中求解线性化系统。特征值决定了正演欧拉时间积分数值稳定性的理论临界时间步长,然后通过几个正则化函数、弹性模型和参数选择进行数值验证。提出了一种新的双周期正则stokeslet,比较了不同正则函数的稳定性。对于两种不同的弹性模型,用正则化参数与表面离散化之间的幂律逼近了一般正则化函数的稳定性结果。经验表明,这种关系适用于散装流体中有限表面的不同设置。
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引用次数: 0
Higher order stray field computation on tensor product domains 张量积域上的高阶杂散场计算
IF 3.8 2区 物理与天体物理 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2026-01-05 DOI: 10.1016/j.jcp.2026.114652
Lukas Exl , Sebastian Schaffer
We present an extension of the tensor grid method for stray field computation on rectangular domains that incorporates higher-order basis functions. Both the magnetization and the resulting magnetic field are represented using higher-order B-spline bases, which allow for increased accuracy and smoothness. The method employs a super-potential formulation, which circumvents the need to convolve with a singular kernel. The field is represented with high accuracy as a functional Tucker tensor, leveraging separable expansions on the tensor product domain and trained via a multilinear extension of the extreme learning machine methodology. Unlike conventional grid-based methods, the proposed mesh-free approach allows for continuous field evaluation. Numerical experiments confirm the accuracy and efficiency of the proposed method, demonstrating exponential convergence of the energy and linear computational scaling with respect to the multilinear expansion rank.
本文提出了一种包含高阶基函数的矩形域杂散场计算的张量网格方法的扩展。磁化强度和产生的磁场都使用高阶b样条基表示,这可以提高精度和平滑度。该方法采用了一个超势公式,避免了与奇异核进行卷积的需要。该领域被高精度地表示为函数Tucker张量,利用张量积域上的可分离展开,并通过极限学习机方法的多线性扩展进行训练。与传统的基于网格的方法不同,所提出的无网格方法允许连续的现场评估。数值实验验证了该方法的准确性和有效性,证明了能量的指数收敛性和对多线性展开阶的线性计算尺度。
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引用次数: 0
MBNO: Mamba-based neural operators for solving partial differential equations 用于求解偏微分方程的基于mamba的神经算子
IF 3.8 2区 物理与天体物理 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2026-01-05 DOI: 10.1016/j.jcp.2025.114639
Namkyeong Cho , Junseung Ryu , Hyung Ju Hwang
The recently released Mamba model leverages structured state space models (SSMs), incorporating hardware-efficient designs and selection mechanisms. The Mamba architecture demonstrates strong potential as a replacement for Transformer-based models across various tasks. In this work, we employ Mamba to train neural operators on infinite-dimensional spaces derived from partial differential equations. Using well-established theory on the Rough Path and Reproducing Kernel Hilbert Space (RKHS), we theoretically demonstrate that the SSM-based models can replace Transformer-based models for approximating operators. Our empirical findings further show that Mamba consistently outperforms Transformer models across various tasks while achieving faster inference, highlighting the potential of the Mamba architecture to outperform Transformer-based models in various operator learning tasks.
最近发布的Mamba模型利用结构化状态空间模型(ssm),结合了硬件高效设计和选择机制。Mamba体系结构展示了作为跨各种任务的基于transformer的模型的替代品的强大潜力。在这项工作中,我们使用Mamba在由偏微分方程导出的无限维空间上训练神经算子。利用粗糙路径和再现核希尔伯特空间(RKHS)的成熟理论,我们从理论上证明了基于ssm的模型可以取代基于变压器的模型来逼近算子。我们的实证研究结果进一步表明,在实现更快的推理的同时,Mamba在各种任务中始终优于Transformer模型,突出了Mamba架构在各种操作员学习任务中优于基于Transformer模型的潜力。
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引用次数: 0
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Journal of Computational Physics
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