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In this work we illustrate our novel quantitative simulation approach for dense amorphous polymer systems, as discussed in our previous work[Kulkarni et al., A Novel Approach for Lattice Simulations of Polymer Chains in Dense Amorphous…

Soft Condensed Matter · Physics 2008-05-06 Joydeep Mukherjee , Antony N. Beris

Finite element methods based on cut-cells are becoming increasingly popular because of their advantages over formulations based on body-fitted meshes for problems with moving interfaces. In such methods, the cells (or elements) which are…

Computational Engineering, Finance, and Science · Computer Science 2022-07-18 Chennakesava Kadapa , Xinyu Wang , Yue Mei

Crystal structure optimization is fundamental to materials modeling but remains computationally expensive when performed with density-functional theory (DFT). Machine-learning (ML) approaches offer substantial acceleration, yet existing…

Materials Science · Physics 2026-03-26 Ziduo Yang , Wei Zhuo , Huiqiang Xie , Xiaoqing Liu , Lei Shen

This paper introduces a heuristic topology optimization framework for thin-walled, 2D extruded lattice structures subject to complex high-speed loading. The proposed framework optimizes the wall thickness distribution in the lattice cross…

Optimization and Control · Mathematics 2022-10-24 Junyan He , Shashank Kushwaha , Diab Abueidda , Iwona Jasiuk

Plastic deformation of most crystalline materials is due to the motion of lattice dislocations. Therefore, the simulation of the interaction and dynamics of these defects has become state-of-the-art method to study work hardening, size…

Materials Science · Physics 2020-10-02 Gábor Péterffy , Péter Dusán Ispánovity

High-resolution and anatomically realistic computer models of biological soft tissues play a significant role in the understanding of the function of cardiovascular components in health and disease. However, the computational effort to…

Medical Physics · Physics 2015-08-12 Christoph M. Augustin , Gerhard A. Holzapfel , Olaf Steinbach

A fast and reliable geometry optimization algorithm is presented that optimizes atomic positions and lattice vectors simultaneously. Using a series of benchmarks, it is shown that the method presented in this paper outperforms in most cases…

Computational Physics · Physics 2024-12-05 Moritz Gubler , Marco Krummenacher , Hannes Huber , Stefan Goedecker

Additive manufacturing (AM) enables the development of high-performance architected cellular materials, emphasizing the growing importance of establishing programmable and predictable energy absorption capabilities. This study evaluates the…

Applied Physics · Physics 2024-02-27 Mattia Utzeri , Marco Sasso , Vikram S. Deshpande , S. Kumar

A high-performance implementation of a multiphase lattice Boltzmann method based on the conservative Allen-Cahn model supporting high-density ratios and high Reynolds numbers is presented. Metaprogramming techniques are used to generate…

Fluid Dynamics · Physics 2020-12-14 Markus Holzer , Martin Bauer , Ulrich Rüde

Tactile perception is key to dexterous manipulation, yet simulating high-resolution elastomer deformation remains computationally prohibitive. Finite element methods (FEM) deliver high fidelity but demand costly remeshing, while Material…

Robotics · Computer Science 2026-05-07 Yuhu Guo , Zhikai Shen , Jiasheng Qu , Chenghao Qian , Yuming Huang , Bin Chen , Guoxing Fang

Lattice structures have been widely used in various applications of additive manufacturing due to its superior physical properties. If modeled by triangular meshes, a lattice structure with huge number of struts would consume massive…

Computational Geometry · Computer Science 2021-02-02 Shengjun Liu , Tao Liu , Qiang Zou , Weiming Wang , Eugeni L. Doubrovski , Charlie C. L. Wang

The simulation of large nonlinear dynamical systems, including systems generated by discretization of hyperbolic partial differential equations, can be computationally demanding. Such systems are important in both fluid and kinetic…

Plasma Physics · Physics 2021-06-14 Alexander Engel , Graeme Smith , Scott E. Parker

Discrete fine-scale models, in the form of either particle or lattice models, have been formulated successfully to simulate the behavior of quasi-brittle materials whose mechanical behavior is inherently connected to fracture processes…

Materials Science · Physics 2016-02-17 Roozbeh Rezakhani , Gianluca Cusatis

Designing metamaterials that carry out advanced computations poses a significant challenge. A powerful design strategy splits the problem into two steps: First, encoding the desired functionality in a discrete or tight-binding model, and…

Mesoscale and Nanoscale Physics · Physics 2025-09-03 Sima Zahedi Fard , Paolo Tiso , Parisa Omidvar , Marc Serra-Garcia

In this article we propose a discrete lattice model to simulate the elastic, plastic and failure behaviour of isotropic materials. Focus is given on the mathematical derivation of the lattice elements, nodes and edges, in the presence of…

Optimization and Control · Mathematics 2015-05-12 Ioannis Dassios , Andrey Jivkov , Andrew Abu-Muharib , Peter James

When modeling scientific and industrial problems, geometries are typically modeled by explicit boundary representations obtained from computer-aided design software. Unfitted (also known as embedded or immersed) finite element methods offer…

Computational Engineering, Finance, and Science · Computer Science 2024-05-24 Pere A. Martorell , Santiago Badia

Finite elasticity problems commonly include material and geometric nonlinearities and are solved using various numerical methods. However, for highly nonlinear problems, achieving convergence is relatively difficult and requires small load…

Numerical Analysis · Mathematics 2018-05-01 Yue Mei , Daniel E. Hurtado , Sanjay Pant , Ankush Aggarwal

We present a nonequilibrium strong-coupling approach to inhomogeneous systems of ultracold atoms in optical lattices. We demonstrate its application to the Mott-insulating phase of a two-dimensional Fermi-Hubbard model in the presence of a…

Strongly Correlated Electrons · Physics 2014-02-25 A. Dirks , K. Mikelsons , H. R. Krishnamurthy , J. K. Freericks

Reduced-order simulation is an emerging method for accelerating physical simulations with high DOFs, and recently developed neural-network-based methods with nonlinear subspaces have been proven effective in diverse applications as more…

Machine Learning · Computer Science 2024-09-09 Aoran Lyu , Shixian Zhao , Chuhua Xian , Zhihao Cen , Hongmin Cai , Guoxin Fang

Constrained optimization problems appear in a wide variety of challenging real-world problems, where constraints often capture the physics of the underlying system. Classic methods for solving these problems rely on iterative algorithms…

Systems and Control · Electrical Eng. & Systems 2023-06-13 Meiyi Li , Soheil Kolouri , Javad Mohammadi