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The generalized stacking fault (GSF) energy surfaces have received considerable attention due to their close relation to the mechanical properties of solids. We present a detailed study of the GSF energy surfaces of silicon within the…

mtrl-th · Physics 2009-10-30 Yu-min Juan , Efthimios Kaxiras

An adapted deflation preconditioner is employed to accelerate the solution of linear systems resulting from the discretization of fracture mechanics problems with well-conditioned extended/generalized finite elements. The deflation space…

Computational Engineering, Finance, and Science · Computer Science 2022-05-11 Konstantinos Agathos , Tim Dodwell , Eleni Chatzi , Stephane P. A. Bordas

The intrinsic stacking fault energy (ISFE) $\gamma$ is a material parameter fundamental to the discussion of plastic deformation mechanisms in metals. Here, we scrutinize the temperature dependence of the ISFE of Au through accurate…

Materials Science · Physics 2020-03-23 Xiaoqing Li , Stephan Schönecker

Linear systems with large differences between coefficients ("discontinuous coefficients") arise in many cases in which partial differential equations(PDEs) model physical phenomena involving heterogeneous media. The standard approach to…

Mathematical Software · Computer Science 2009-05-04 Dan Gordon , Rachel Gordon

In this paper, we consider an approximation method, and a novel general analysis, for second-order elliptic differential equations with heterogeneous multiscale coefficients. We obtain convergence of the Generalized Multi-scale Finite…

Numerical Analysis · Mathematics 2024-12-20 Eduardo Abreu , Ciro Diaz , Juan Galvis

High-fidelity simulations are essential for predicting material behavior under high-velocity impact (HVI), but their accuracy depends on material models and parameters that are often calibrated by manual fitting to multiple costly…

Materials Science · Physics 2026-04-01 Rong Jin , Guangyao Wang , Xingsheng Sun

Full fine-tuning is a popular approach to adapt Transformer-based pre-trained large language models to a specific downstream task. However, the substantial requirements for computational power and storage have discouraged its widespread…

Computation and Language · Computer Science 2024-05-02 Samir Arora , Liangliang Wang

Pretrained Foundation Models (PFMs) have transformed numerous applications by enabling efficient adaptation to customized tasks. Parameter-Efficient Fine-Tuning (PEFT) has emerged as a resource-efficient alternative to full fine-tuning,…

Machine Learning · Computer Science 2025-06-16 Baoquan Zhang , Guangning Xu , Michael. K. Ng

In this paper, we discuss the application of Generalized Multiscale Finite Element Method (GMsFEM) to elasticity equation in heterogeneous media. Our applications are motivated by elastic wave propagation in subsurface where the subsurface…

Numerical Analysis · Mathematics 2014-08-27 Eric T. Chung , Yalchin Efendiev , Shubin Fu

Energy stable flux reconstruction (ESFR) is a high-order numerical method used for solving partial differential equations in computational fluid dynamics. This method is designed to preserve the energy stability of the underlying partial…

Fluid Dynamics · Physics 2023-09-08 Erwan Lambert , Siva Nadarajah

The energy stable flux reconstruction (ESFR) method provides an efficient and flexible framework to devise high-order linearly stable numerical schemes which can achieve high levels of accuracy on unstructured grids. While superconvergent…

Numerical Analysis · Mathematics 2025-10-29 Mathias Dufresne-Piché , Siva Nadarajah

We present an implementation of the GW approximation for the electronic self-energy within the full-potential linearized augmented-plane-wave (FLAPW) method. The algorithm uses an all-electron mixed product basis for the representation of…

Materials Science · Physics 2010-11-15 Christoph Friedrich , Stefan Blügel , Arno Schindlmayr

Partial differential equations (PDEs) with inputs that depend on infinitely many parameters pose serious theoretical and computational challenges. Sophisticated numerical algorithms that automatically determine which parameters need to be…

Numerical Analysis · Mathematics 2018-06-18 Adam J. Crowder , Catherine E. Powell , Alex Bespalov

This study presents constructions of the space-time Conservation Element and Solution Element (CESE) methods to accommodate adaptive unstructured quadrilateral meshes. Subsequently, a novel algorithm is devised to effectively manage the…

Fluid Dynamics · Physics 2025-03-10 Lisong Shi , Chaoxiong Zhang , Chih-Yung Wen

The advancement of generalized deepfake disruption is constrained by the interruption imbalance, a fundamental bottleneck inherent to the generation of universal perturbations. We reveal that conventional static gradient normalization…

Machine Learning · Computer Science 2026-05-04 Hongrui Zheng , Liejun Wang , Zhiqing Guo

Motivated by the drawbacks of cloud-based federated learning (FL), cooperative federated edge learning (CFEL) has been proposed to improve efficiency for FL over mobile edge networks, where multiple edge servers collaboratively coordinate…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-11-22 Zhenxiao Zhang , Zhidong Gao , Yuanxiong Guo , Yanmin Gong

We develop a discontinuous Galerkin (DG) framework for automatically constructing adaptive basis sets for electronic structure calculations. By allowing basis functions to be discontinuous across element interfaces, our approach supports…

Computational Physics · Physics 2026-03-03 Yulong Pan , Michael Lindsey

Graph Comparative Learning (GCL) is a self-supervised method that combines the advantages of Graph Convolutional Networks (GCNs) and comparative learning, making it promising for learning node representations. However, the GCN encoders used…

Machine Learning · Computer Science 2023-12-12 Ruyue Liu , Rong Yin , Yong Liu , Weiping Wang

We present the first rigorous convergence analysis of the smoothed adaptive finite element method (S-AFEM) proposed in [Mulita, Giani, Heltai: SIAM J. Sci. Comput. 43, 2021]. S-AFEM modifies the classical adaptive finite element method…

Numerical Analysis · Mathematics 2026-01-29 Philipp Bringmann , Christoph Lietz , Dirk Praetorius

In material science, models are derived to predict emergent material properties (e.g. elasticity, strength, conductivity) and their relations to processing conditions. A major drawback is the calibration of model parameters that depend on…

Neural and Evolutionary Computing · Computer Science 2021-11-22 Gabriel Kronberger , Evgeniya Kabliman , Johannes Kronsteiner , Michael Kommenda