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The impact of targeted replacement of individual terms in empirical force fields is quantitatively assessed for pure water, dichloromethane (DCM), and solvated K$^+$ and Cl$^-$ ions. For the electrostatics, point charges (PCs) and machine…

Chemical Physics · Physics 2023-11-13 Mike Devereux , Eric D. Boittier , Markus Meuwly

Pixel- and voxel-based representations of microstructures obtained from tomographic imaging methods is an established standard in computational materials science. The corresponding highly resolved, uniform discretitization in numerical…

Numerical Analysis · Mathematics 2019-08-27 Andreas Fischer , Bernhard Eidel

Understanding the coupled thermo-mechanical behaviour of compacted granular beds can benefit various industrial applications, such as pebble bed design in fusion reactors. In this study, a thermo-mechanical discrete element method based on…

Soft Condensed Matter · Physics 2021-04-02 Si Suo , Marigrazia Moscardini , Verena Becker , Yixiang Gan , Marc Kamlah

This paper proposes a method to vibration analysis in order to on-line monitoring of milling process quality. Adapting envelope analysis to characterize the milling tool materials is an important contribution to the qualitative and…

Other Computer Science · Computer Science 2012-01-24 Claudiu-Florinel Bisu , Miron Zapciu , Alain Gérard , V. Vijelea , Marin Anica

With the widespread deployment of deep learning models, they influence their environment in various ways. The induced distribution shifts can lead to unexpected performance degradation in deployed models. Existing methods to anticipate…

Despite the growing level of technological advancement that characterizes extrusion-deposition additive manufacturing technology, there remains a significant knowledge gap in fully understanding the process-structure-property relationship…

Computational Physics · Physics 2025-05-16 Aigbe E. Awenlimobor

In this paper, a cell-based smoothed finite element method with discrete shear gap technique for triangular ele- ments is employed to study the linear flutter characteristics of functionally graded material (FGM) flat panels. The influence…

Numerical Analysis · Mathematics 2013-09-04 Sundararajan Natarajan , Karthik Kaleeswaran , Ganapathi Manickam

Additively manufactured hollow strut bioceramic scaffolds present a promising strategy towards enhanced performance in patient-tailored bone tissue engineering. The channels in such scaffolds offer pathways for nutrient and cell transport…

Materials Science · Physics 2023-03-21 Shumin Pang , Dongwei Wu , Aleksander Gurlo , Jens Kurreck , Dorian A H Hanaor

This paper presents a hybrid continuum discrete macro modelling strategy with a multiscale calibration procedure for realistic simulations of brick masonry bridges. The response of these structures is affected by the intrinsic nonlinearity…

Computational Engineering, Finance, and Science · Computer Science 2022-02-15 Bartolomeo Panto' , Corrado Chisari , Lorenzo Macorini , Bassam A. Izzuddin

We propose an adaptive polygonal finite element formulation for collapse plastic analysis of solids. The article contributes into four crucial points: 1) Wachspress shape functions at vertex and bubble nodes handled at a primal-mesh level;…

Computational Engineering, Finance, and Science · Computer Science 2016-06-30 H. Nguyen-Xuan , Son H. Nguyen , Hyun-Gyu Kim , Klaus Hackl

Modal phase matching (MPM) is a widely used phase matching technique in Al$_x$Ga$_{1-x}$As and other $\chi^{(2)}$ nonlinear waveguides for efficient wavelength conversions. The use of a non-fundamental spatial mode compensates the material…

Optics · Physics 2021-12-30 Dongpeng Kang , Weiqi Zhang , Amr S. Helmy , Siyuan Yu , Liying Tan , Jing Ma

This paper proposes improvements to the physically-based surface triangulation method, bubble meshing. The method simulates physical bubbles to automatically generate mesh vertices, resulting in high-quality Delaunay triangles. Despite its…

Computational Geometry · Computer Science 2025-08-08 Lei Shangyu , Fan Wei , Ren Hui

Shells, i.e., objects made of a thin layer of material following a surface, are among the most common structures in use. They are highly efficient, in terms of material required to maintain strength, but also prone to deformation and…

Graphics · Computer Science 2019-04-30 Francisca Gil-Ureta , Nico Pietroni , Denis Zorin

In this paper, a new model based nonlinear control technique, called PID (Proportional-Integral-Derivative) type sliding surface based sliding mode control is designed using improved reaching law. To improve the performance of the second…

Systems and Control · Electrical Eng. & Systems 2022-09-20 Kirtiman Singh , Prabin Kumar Padhy

Micro fluidized beds are basically suspensions of solid particles by an ascending fluid in a mm-scale tube, with applications in chemical and pharmaceutical processes involving powders. Although in many applications beds are polydisperse,…

Soft Condensed Matter · Physics 2024-01-22 Henrique Barbosa de Oliveira , Erick de Moraes Franklin

Fibrillar adhesion, observed in animals like beetles, spiders, and geckos, relies on nanoscopic or microscopic fibrils to enhance surface adhesion via 'contact splitting.' This concept has inspired engineering applications across robotics,…

Machine Learning · Computer Science 2024-10-08 Mohammad Shojaeifard , Matteo Ferraresso , Alessandro Lucantonio , Mattia Bacca

Core-shell electrode particle designs offer a route to improved lithium-ion battery performance. However, they are susceptible to mechanical damage such as fracture and debonding, which can significantly reduce their lifetime. Using a…

Chemical Physics · Physics 2024-03-21 Y. Tu , B. Wu , W. Ai , E. Martínez-Pañeda

Due to their weak inductive bias, Multi-Layer Perceptrons (MLPs) have subpar performance at low-compute levels compared to standard architectures such as convolution-based networks (CNN). Recent work, however, has shown that the performance…

Machine Learning · Computer Science 2024-10-15 Sean Wu , Jordan Hong , Keyu Bai , Gregor Bachmann

A stepped wedge cluster randomized trial is a type of longitudinal cluster design that sequentially switches clusters to intervention over time until all clusters are treated. While the traditional posttest-only parallel design requires…

Applications · Statistics 2021-01-05 Fan Li

An innovative technique, called conversion, is introduced to model circumferential cracks in thin cylindrical shells. The semi-analytical finite element method is applied to investigate the modal deformation of the cylinder. An element…

Numerical Analysis · Mathematics 2021-07-21 Ali Alijani , Olga Barrera , Stephane P. A. Bordas