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A new method for implementing the kinetic energy operator for real-space, grid-based electronic structure codes is developed. It is based on multi-order Adaptive Finite Differencing (AFD) and uses atomic pseudo orbitals produced by the…

Computational Physics · Physics 2023-05-23 E. L. Briggs , Wenchang Lu , J. Bernholc

Catastrophic failure in brittle materials is often due to the rapid growth and coalescence of cracks aided by high internal stresses. Hence, accurate prediction of maximum internal stress is critical to predicting time to failure and…

We consider the numerical treatment of one of the most popular finite strain models of the viscoelastic Maxwell body. This model is based on the multiplicative decomposition of the deformation gradient, combined with Neo-Hookean…

Numerical Analysis · Mathematics 2013-11-14 Alexey V. Shutov , Ralf Landgraf , Jörn Ihlemann

A novel computational framework for designing metamaterials with negative Poisson's ratio over a large strain range is presented in this work by combining the density-based topology optimization together with a mixed stress/deformation…

Computational Engineering, Finance, and Science · Computer Science 2019-07-31 Guodong Zhang , Kapil Khandelwal

A multiscale (micro-to-macro) analysis is proposed for the prediction of the finite strain behavior of composites with hyperelastic constituents and embedded localized damage. The composites are assumed to possess periodic microstructure…

Materials Science · Physics 2020-10-20 Nathan Perchikov , Jacob Aboudi

The paper extends the formulation of a 2D geometrically exact beam element proposed in our previous paper [1] to curved elastic beams. This formulation is based on equilibrium equations in their integrated form, combined with the kinematic…

Computational Engineering, Finance, and Science · Computer Science 2022-10-06 Martin Horák , Emma La Malfa Ribolla , Milan Jirásek

The discovery of constitutive models for hyperelastic materials is essential yet challenging due to their nonlinear behavior and the limited availability of experimental data. Traditional methods typically require extensive stress-strain or…

Computational Physics · Physics 2025-12-22 Hyeonbin Moon , Donggeun Park , Hanbin Cho , Hong-Kyun Noh , Jae hyuk Lim , Seunghwa Ryu

A new algorithm is proposed to impose a macroscopic stress or mixed stress/deformation gradient history in the context of non-linear Galerkin based FFT homogenization. The method proposed is based in the definition of a modified projection…

Materials Science · Physics 2019-05-30 S. Lucarini , J. Segurado

The paper is concerned with the development of efficient and accurate solution procedures for the isogeometric boundary element method (BEM) when applied to problems that contain inclusions that have elastic properties different to the…

Numerical Analysis · Mathematics 2020-10-28 Gernot Beer , Eugenio Ruocco , Christian Duenser , Vincenzo Mallardo

In this paper, we introduce the Phantom Domain Finite Element Method (PDFEM), a novel computational approach tailored for the efficient analysis of heterogeneous and composite materials. Inspired by fictitious domain methods, this method…

Numerical Analysis · Mathematics 2025-05-06 Tianlong He , Philippe Karamian-Surville , Daniel Choï

Compression experiments are widely used to study the mechanical properties of materials at micro- and nanoscale. However, the conventional engineering stress measurement method used in these experiments neglects to account for the…

Materials Science · Physics 2025-07-24 Jalal Smiri , Oguz Umut Salman , Matteo Ghidelli , Ioan R. Ionescu

Accurate and efficient prediction of soft tissue temperatures is essential to computer-assisted treatment systems for thermal ablation. It can be used to predict tissue temperatures and ablation volumes for personalised treatment planning…

Computational Engineering, Finance, and Science · Computer Science 2022-01-03 Jinao Zhang , Remi Jacob Lay , Stuart K. Roberts , Sunita Chauhan

Background: The determination of yield stress curves for ductile metals from uniaxial material tests is complicated by the presence of tri-axial stress states due to necking. A need exists for a straightforward solution to this problem.…

Materials Science · Physics 2022-11-28 Georg C. Ganzenmüller , Puneeth Jakkula , Stefan Hiermaier

This work develops a convergence theory for H(div)-conforming finite element methods applied to the steady Oseen problem, focusing on cases where the exact finite element complex holds while the commuting diagram property may fail. The…

Numerical Analysis · Mathematics 2025-12-01 Jin Zhang , Xiaowei Liu

To account for phenomenological theories and a set of invariants, stress and strain are usually decomposed into a pair of pressure and deviatoric stress and a pair of volumetric strain and deviatoric strain. However, the conventional…

Mathematical Physics · Physics 2012-11-15 HyunSuk Lee , Jinkyu Kim

This article deals with a viscoplastic material model of overstress type. The model is based on a multiplicative decomposition of the deformation gradient into elastic and inelastic part. An additional multiplicative decomposition of…

Numerical Analysis · Mathematics 2015-05-13 A. V. Shutov , R. Kreissig

This paper is concerned with fully discrete finite element methods for approximating variational solutions of nonlinear stochastic elastic wave equations with multiplicative noise. A detailed analysis of the properties of the weak solution…

Numerical Analysis · Mathematics 2022-10-04 Xiaobing Feng , Yukun Li , Yujian Lin

In this paper, we introduce a new finite element method for solving the Stokes equations in the primary velocity-pressure formulation. This method employs $H(div)$ finite elements to approximate velocity, which leads to two unique…

Numerical Analysis · Mathematics 2020-06-23 Xiu Ye , Shangyou Zhang

We present an a posteriori error estimate based on equilibrated stress reconstructions for the finite element approximation of a unilateral contact problem with weak enforcement of the contact conditions. We start by proving a guaranteed…

Numerical Analysis · Mathematics 2021-09-27 Daniele Antonio Di Pietro , Ilaria Fontana , Kyrylo Kazymyrenko

A variant of the U-Net convolutional neural network architecture is proposed to estimate linear elastic compatibility stresses in a-Zr (hcp) polycrystalline grain structures. Training data was generated using VGrain software with a…

Materials Science · Physics 2023-03-16 J. D. Langcaster , D. S. Balint , M. R. Wenman