Atomistic simulation of crack propagation in CNT reinforced nanocrystalline aluminum under uniaxial tensile loading

Babu, Pokula Narendra; Dixit, Saurabh; Pal, Snehanshu

doi:10.1080/14786435.2021.1948132

Cited by 7 publications

(1 citation statement)

References 63 publications

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“…Особенно большой интерес вызывает моделирование нанотрубок, изготовленных из различных материалов, находящихся под воздействием сложных термомеханических нагрузок [2][3][4]. Несмотря на значительное количество публикаций, посвященных конструированию и поведению нанотрубок при действии различных силовых и температурных факторов [8][9][10][11], число работ, анализирующих трубки с дефектами, весьма ограничено [12]. В последнее время публикуются исследования, сопоставляющие континуальный и дискретный подходы [13][14][15][16][17][18], однако публикации, посвященные сравнению атомистического подхода и методов, основанных на классической механике сплошных сред, для конфигурации, рассмотренной в настоящей статье, отсутствуют.…”

Section: Introductionunclassified

Modelling the Crack Propagation and Analysis of the Inclined Crack Path in the Pipe With the Extended Finite Element Method and Molecular Dynamics Method

Belova,

Stepanova

2023

PSP

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The article is devoted to a comparative analysis of the results of computational simulation experiments aimed at determining the inclined crack propagation paths a linearly elastic medium, performed using two fundamentally different approaches, namely discrete atomistic approach and continuum mechanics approach. The aim of the study is to construct paths of an inclined crack in a pipe under the uniaxial tensile loading by means of an extended finite element method (continuum approach) and using the molecular dynamics method (discrete, molecular atomistic approach). Computer simulations of uniaxial tension of a pipe with a through-the-thickness inclined crack were performed using the extended finite element method of the multi-functional computational software SIMULIA Abaqus. In parallel with the finite element analysis, a molecular dynamic simulation of the uniaxial tension of a nanoscopic tube with a through-the-thickness inclined crack in the LAMMPS software package for several materials (monocrystalline copper and monocrystalline aluminum with a face-centered crystal lattice) with the embedded atom potentials available in the LAMMPS open code was carried out. The sizes of macroscopic and nanoscopic pipes and crack lengths are selected taking into account the geometric similarity of the samples. Hereupon, the paths of the propagation of an inclined crack in a pipe under axial stretching conditions are obtained. Computations were carried out for several characteristic values of the crack inclination angles: 30, 45, 60 and 75° to the pipe axis. It is found that the crack propagation paths obtained within the framework of the continuum mechanics approach and atomistic simulations are similar to each other. It is established that for different angles of the crack location, the similarity of the crack growth trajectories in the pipe is preserved at various scale length levels: macroscopic and nanoscopic scales.

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