Shock-induced spallation in single-crystalline tantalum at elevated temperatures through molecular dynamics modeling

Wang, Yuntian; Zeng, Xiangguo; Yang, Xin; Xu, Taolong

doi:10.1016/j.commatsci.2021.110870

Cited by 14 publications

(5 citation statements)

References 40 publications

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“…The size of the sample is 36 ×18 × 18 nm, totally contains about 70×10 4 atoms. The grain includes about 60×10 4 atoms and the grain boundary includes about 10×10 4 atoms. The configuration of grain is FCC and the crystal direction of the grain is random.…”

Section: Computation Model and Methodologymentioning

confidence: 99%

“…The classical molecular dynamics (MD) simulations have been used increasingly to examine the shock compression response of crystalline materials. The massively parallel three-dimensional MD simulations were employed to examine the plasticity induced by shock waves [1][2][3][4]. The MD calculations were used to examine the shock wave propagation along [100], [111], and [110] directions in aluminum single crystals [5].…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Molecular Dynamics Simulation on Shocked Nanocrystalline Aluminum

Ju,

Zhang

2023

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The characteristics of shocked nanocrystalline aluminum are investigated by using molecular dynamics method based on the embedded atom method potential function. The result presents the particle velocity profile and the width of shock front in detail. The simulated Hugoniot relations are basically consistent with the experimental data and other molecular dynamics results. The width of shock front decreases with the particle velocity exponentially.

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Section: Computation Model and Methodologymentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Molecular Dynamics Simulation on Shocked Nanocrystalline Aluminum

Ju,

Zhang

2023

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“…In addition, LD accelerates the melting process and reduces the melting temperature by lowering the energy barrier of the nucleation of amorphous clusters and then promoting the formation of amorphization [43]. Wang et al [44] found that higher impact velocity nucleate more voids followed by a fast void growing and coalescence and also resulting in higher temperature increment.…”

Section: Mechanical Property Analysismentioning

confidence: 99%

Molecular dynamics analysis of the low-temperature shock behavior of the CoCrFeMnNi high-entropy alloy

Chen¹,

Li²,

Tang³

et al. 2022

Modelling Simul. Mater. Sci. Eng.

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This study presents a non-equilibrium molecular dynamics simulation of the shock compression of a [1¯10]-oriented CoCrFeMnNi high-entropy alloy (HEA) at 77 K. The effects of different impact velocities on the mechanical properties were investigated in detail, as well as the changes in atomic microstructure and the formation of defects and dislocations under impact loading. In addition, the role of voids in the CoCrFeMnNi HEA was investigated. The results showed that with an increase in impact velocity, the average values of the atomic velocity, temperature, and stress increase. The phenomenon of double-wave separation of the elastic and plastic waves was apparent, and when the loading velocity increased, the propagation velocities of the elastic and plastic waves also increased incrementally. The change in the atomic microstructure and generation of dislocation defects further revealed the effect of different impact velocities on the CoCrFeMnNi HEA. The degree of change in the phase structure was positively correlated with the magnitude of the impact velocity; however, the number of dislocations and defects first increased to a maximum and then decreased with the increase in impact velocity. In addition, the void structure had almost no effect on the phase change of the HEA when subjected to impact loading, whereas the effect on dislocation defects was more pronounced.

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“…The metal materials usually experience elastic-plastic response under one-dimensional shock compression, and finally reach a stable state of stress, temperature and density [4,5]. It is very important to understand the structure of shock front and the detailed broadening mechanisms in response to materials for theoretical treatments and other applications [6][7][8]. The shock-induced plasticity and phase transition in the hexagonal columnar nanocrystalline Mg was investigated by large-scale nonequilibrium molecular dynamics simulations, and the results showing that the phase-transition pathway involving two steps: the reorientation and phase transformation [9].…”

Section: Introductionmentioning

confidence: 99%

Molecular Dynamics Simulation of Shock Wave Propagation in Aluminum Single Crystal

Zhang

2023

JMNM

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The characteristics of shock wave propagation in aluminum single crystal are simulated by using the molecular dynamics (MD) method based on the embedded atom method (EAM) potential function. The structure of the shock front and the Hugonoit relation are obtained. The simulated results show that a two-wave structure exists in the aluminum single crystal for the particle velocity bellower than 2 km/s and the velocity of the elastic wave increases slightly with the shock loading. While only plastic wave exists in the aluminum single crystal for the particle velocity higher than 2 km/s and the width of the shock front decreases by exponent with the normal stress. The MD simulation results are basically consistent with the experimental results.

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Shock-induced spallation in single-crystalline tantalum at elevated temperatures through molecular dynamics modeling

Cited by 14 publications

References 40 publications

Molecular Dynamics Simulation on Shocked Nanocrystalline Aluminum

Molecular Dynamics Simulation on Shocked Nanocrystalline Aluminum

Molecular dynamics analysis of the low-temperature shock behavior of the CoCrFeMnNi high-entropy alloy

Molecular Dynamics Simulation of Shock Wave Propagation in Aluminum Single Crystal

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