Atomistic study of shock Hugoniot of single crystal Mg

Agarwal, Garvit; Dongare, Avinash M.

doi:10.1063/1.4971592

Cited by 11 publications

(6 citation statements)

References 19 publications

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“…We calculate the stress-strain relations at the strain rate 10 8 s −1 as a function of uniaxial compression along the [0001] HCP , HCP and [-12-10] HCP low-index directions (see figure 3), which can be compared with the calculations (figure S4 in supplementary materials) of the FS potential developed by Sun et al [44] used for NEMD simulations of Mg single crystal under shock loading [57][58][59]. Both FS potential models reproduce the anisotropy of the stress-strain relations under compression and the elastic-inelastic transformation points.…”

Section: Evaluations Of the Fs Potentialmentioning

confidence: 99%

“…Some potentials are suitable for Mg binary alloys, such as Mg-Al [40,48], Mg-Zn [46,47], Mg-Y [47,50], Mg-Cu [42] and Mg-H [54]. In addition, some have been used for studies of Mg under high pressure [14,[57][58][59]. For example, Agarwal and Dongare investigated the shock Hugoniot of Mg single crystal [58] utilizing potentials developed by Liu et al [40] and Sun et al [44].…”

Section: Introductionmentioning

confidence: 99%

“…In addition, some have been used for studies of Mg under high pressure [14,[57][58][59]. For example, Agarwal and Dongare investigated the shock Hugoniot of Mg single crystal [58] utilizing potentials developed by Liu et al [40] and Sun et al [44]. Moreover, they investigated the shock-wave propagation and spall failure for Mg single crystal [57] applying the potential developed by Sun et al [44], and results indicated that the spall strength decreased with increasing shock pressure and initial system temperature.…”

Section: Introductionmentioning

confidence: 99%

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Shock-induced plasticity and phase transformation in single crystal magnesium: an interatomic potential and non-equilibrium molecular dynamics simulations

Jian

Chen

Xiao

et al. 2022

J. Phys.: Condens. Matter

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An effective and reliable Finnis-Sinclair (FS) type potential is developed for large-scale molecular dynamics (MD) simulations of plasticity and phase transition of Magnesium (Mg) single crystals under high-pressure shock loading. The shock-wave profiles exhibit a split elastic-inelastic wave in the [0001]HCP shock orientation and a three-wave structure in the [10-10]HCP and [-12-10]HCP directions, namely, an elastic precursor following the plastic and phase-transition fronts. The shock Hugoniot of the particle velocity (Up) vs. the shock velocity (Us) of Mg single crystals in three shock directions under low shock strength reveals apparent anisotropy, which vanishes with increasing shock strength. For the [0001]HCP shock direction, the amorphization caused by strong atomic strain plays an important role in the phase transition and allows for the phase transition from an isotropic stressed state to the daughter phase. The reorientation in the shock directions [10-10]HCP and [-12-10]HCP, as the primary plasticity deformation, leads to the compressed hexagonal close-packed (HCP) phase and reduces the phase-transition threshold pressure. The phase-transition pathway in the shock direction [0001]HCP includes a preferential contraction strain along the [0001]HCP direction, a tension along [-12-10]HCP direction, an effective contraction and shear along the [10-10]HCP direction. For the [10-10]HCP and [-12-10]HCP shock directions, the phase-transition pathway consists of two steps: a reorientation and the subsequent transition from the reorientation hexagonal close-packed phase (RHCP) to the body-centered cubic (BCC). The orientation relationships between HCP and BCC are (0001)HCP á-12-10ñHCP // {110}BCC á001ñBCC. Due to different slipping directions during the phase transition, three variants of the product phase are observed in the shocked samples, accompanied by three kinds of typical coherent twin-grain boundaries between the variants. The results indicate that the highly concentrated shear stress leads to the crystal lattice instability in the elastic precursor, and the plasticity or the phase transition relaxed the shear stress.

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Section: Evaluations Of the Fs Potentialmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Shock-induced plasticity and phase transformation in single crystal magnesium: an interatomic potential and non-equilibrium molecular dynamics simulations

Jian

Chen

Xiao

et al. 2022

J. Phys.: Condens. Matter

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“…Al'e Tshuler et al [14] studied the equations of state of Al, Cu and Pb at high pressure environment. Bringa et al [15] and Agarwal et al [16] explored the linear relationship between the downward shock velocity and particle velocity of different crystals by analysing the non-equilibrium molecular dynamics (NEMD) of the adiabatic shock line of Mg and Cu single crystals. Mackenchery and Dongare [17] analysed the impact of four different atomic potentials on Ti single crystal at collision velocities and Hugoniot curves of approximately 0.5-2.0 km/s based on molecular dynamics (MD).…”

Section: Literature Reviewmentioning

confidence: 99%

Parameter Id of Metal Hi-pressure State Equation

Chen

2021

Applied Mathematics and Nonlinear Sciences

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In this study, parameters of the Grüneisen equation of state for GH4169 alloy were calculated based on multi-scale impact technology and first-principles calculation methods. The calculated parameters are consistent with the results of Liu et al., which primarily verifies the accuracy of the method. The AUTODYN software was used for numerical simulation of dynamic plate impact experiments. The parameters of the Grüneisen equation of GH4169 alloy were used as input to verify its accuracy. Comparing and analysing the speed of the free surface particle and the actual experimental measurement point at the same position, it is concluded that the simulated value is consistent with the experimental value. The morphology of the flying piece and the target have the same characteristics, which proves that Grüneisen equation of state parameters obtained by proposed parameter identification method are practical and reliable.

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“…These have been developed over the last 30 years, and include shock response of materials [20][21][22]. Through these MD techniques, Jarmakani et al resolved disagreements on materials undergoing shockwaves [23], and similar atomistic studies have been carried out by Argawal et al [24], that realistically replicate the two-wave (elasticplastic) structure above the Hugoniot elastic limit (HEL) with the embedded atom method (EAM). In general, there has been considerable research on the use of MD code for extreme compressive conditions, and the results have converged well with the experimental and theoretical data.…”

Section: Introductionmentioning

confidence: 99%

The profile of extreme tension wave front in aluminum

et al. 2023

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In this study, the extreme tension wave front profile (pull speed up to 1.6 km/s) in pure aluminum (density 2.7 $$\mathrm{g}/{\mathrm{cm}}^{3}$$ g / cm 3 ) is analyzed using the LAMMPS molecular dynamics (MD) code and based on the tension conservation equations of mass, momentum, and energy. The simulation results agree favorably with the theoretical calculation. The profile of the extreme tension wave front is observed from the MD code simulation, and a typical shockless ramp wave front formation is identified during forced extreme tension loading. Further analysis was accomplished based on the formation of the ramp wave front, illustrating the behavior of the isentrope of aluminum under extreme tension loading.

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Atomistic study of shock Hugoniot of single crystal Mg

Cited by 11 publications

References 19 publications

Shock-induced plasticity and phase transformation in single crystal magnesium: an interatomic potential and non-equilibrium molecular dynamics simulations

Shock-induced plasticity and phase transformation in single crystal magnesium: an interatomic potential and non-equilibrium molecular dynamics simulations

Parameter Id of Metal Hi-pressure State Equation

The profile of extreme tension wave front in aluminum

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