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Spectral lines emitted by plasmas provide information about the thermodynamic conditions, the degree of randomness or the interactions prevailing in the medium. Collisions by plasma electrons penetrating the extent of bound-electron…

Atomic Physics · Physics 2019-05-22 Jean-Christophe Pain , Franck Gilleron

Hybrid particle-field methods are computationally efficient approaches for modelling soft matter systems. So far applications of these methodologies have been limited to constant volume conditions. Here, we reformulate particle-field…

Numerous full-field numerical methods exist concerning the digital description of polycrystalline materials and the modeling of their evolution during thermomechanical treatments. However, these strategies are globally dedicated to the…

Computational Engineering, Finance, and Science · Computer Science 2022-08-22 Nitish Chandrappa , Marc Bernacki

Amorphous materials of homogeneous structures usually suffer from nonuniform deformation under shear, which can develop into shear localization and eventually destructive shear band. One approach to tackle this issue is to introduce an…

Materials Science · Physics 2019-02-01 Guo-Jie J. Gao , Yun-Jiang Wang , Shigenobu Ogata

Available simulation methods, suitable to describe solid-solid phase transitions occurring upon increasing of presssure and/or temperature, are based on empirical interatomic potentials: this restriction reduces the predictive power, and…

Condensed Matter · Physics 2016-08-31 P. Focher , G. L. Chiarotti , M. Bernasconi , E. Tosatti , M. Parrinello

We propose a modification of the embedded-atom method-type potential aiming at reconciling simulated melting and ground-state properties of metals by means of classical molecular dynamics. Considering titanium, magnesium, gold, and platinum…

Mesoscale and Nanoscale Physics · Physics 2016-04-15 Gennady Sushko , Alexey Verkhovtsev , Christian Kexel , Andrei V. Korol , Stefan Schramm , Andrey V. Solov'yov

The phase-field method has become a useful tool for the simulation of classical metallurgical phase transformations as well as other phenomena related to materials science. The thermodynamic consistency that forms the basis of these…

We study a model for corrosion and passivation of a metallic surface after small damage of its protective layer. The crossover from an initial regime of slow corrosion rate (pit nucleation) to a regime of rapid corrosion (propagation of the…

Statistical Mechanics · Physics 2007-05-23 F. D. A. Aarao Reis , Janusz Stafiej , J. -P. Badiali

This paper develops and benchmarks an immersed peridynamics method to simulate the deformation, damage, and failure of hyperelastic materials within a fluid-structure interaction framework. The immersed peridynamics method describes an…

Numerical Analysis · Mathematics 2023-10-19 Keon Ho Kim , Amneet P. S. Bhalla , Boyce E. Griffith

We extend a phase-field/gradient damage formulation for cohesive fracture to the dynamic case. The model is characterized by a regularized fracture energy that is linear in the damage field, as well as non-polynomial degradation functions.…

Applied Physics · Physics 2019-03-27 Rudy J. M. Geelen , Yingjie Liu , Tianchen Hu , Michael R. Tupek , John E. Dolbow

Radiation creep and swelling are irreversible deformation phenomena occurring in materials irradiated even at low temperatures. On the microscopic scale, energetic particles initiate collision cascades, generating and eliminating defects…

Materials Science · Physics 2024-09-23 Luca Reali , Max Boleininger , Daniel R. Mason , Sergei L. Dudarev

Continuum models of plasticity fail to capture the richness of microstructural evolution because the continuum is a homogeneous construction. The present study shows that an alternative way is available at the mesoscale in the form of truly…

Materials Science · Physics 2025-10-01 Afonso D. M. Barroso , Elijah Borodin , Andrey P. Jivkov

We used by in-situ high energy X-ray diffraction to inestigate the deformation behavior of Grade 2 commercially pure titanium that was hydrogen charged to form hydrides. The results showed that the peak broadening in the diffraction…

Materials Science · Physics 2022-01-26 Qing Tan , Zhiran Yan , Runguang Li , Yang Ren , Yandong Wang , Baptiste Gault , Stoichko Antonov

In solution-processing of thin films, the material layer is deposited from a solution composed of several solutes and solvents. The final morphology and hence the properties of the film often depend on the time needed for the evaporation of…

Cracking of rocks and rock-like materials exhibits a rich variety of patterns where tensile (mode I) and shear (mode II) fractures are often interwoven. These mixed-mode fractures are usually cohesive (quasi-brittle) and frictional.…

Geophysics · Physics 2021-01-12 Fan Fei , Jinhyun Choo

The improvement of Li-ion battery performance requires development of models that capture the essential physics and chemistry in Li-ion battery electrode materials. In this paper a novel electrochemical phase-field model is presented that…

The finite element method and dimensional analysis have been applied in the present paper to study a hydraulic impact, which is utilized in a non-explosive rock breaking technology in mining industry. The impact process of a high speed…

Classical Physics · Physics 2015-05-14 Martin Genet , Wenyi Yan , Thanh Tran-Cong

We introduce an Eulerian approach for problems involving one or more soft solids immersed in a fluid, which permits mechanical interactions between all phases. The reference map variable is exploited to simulate finite-deformation…

Computational Physics · Physics 2015-12-16 Boris Valkov , Chris H. Rycroft , Ken Kamrin

A new homogenization approach for the simulation of multi-phase flows in heterogeneous porous media is presented. It is based on the lattice Boltzmann method and combines the grayscale with the multi-component Shan-Chen method. Thus, it…

A new model is presented to predict hydrogen-assisted fatigue. The model combines a phase field description of fracture and fatigue, stress-assisted hydrogen diffusion, and a toughness degradation formulation with cyclic and hydrogen…

Computational Engineering, Finance, and Science · Computer Science 2024-05-21 C. Cui , P. Bortot , M. Ortolani , E. Martínez-Pañeda