Molecular dynamics study of Hugoniot relation in shocked nickel single crystal

Jimin Choi, Sanghyuk Yoo, Soonho Song, Jung Su Park, Keonwook Kang

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

We study shock behavior of single crystalline nickel (Ni) using molecular dynamics (MD) simulations. Five different embedded-atom method (EAM) potential models were tested to select a suitable potential for shock simulation by comparing Grüneisen parameter, a key parameter in the equation of state describing energy change before and after shock load. We conducted shock propagation simulations along <100> direction of Ni and extracted (1) pressure-volume Hugoniot curve and (2) shock velocity (Us) vs particle velocity (up) relation with selected potential models by Grüneisen parameter. Although the Hugoniot p-V curve calculated by the MD simulations is slightly higher than the experimental data, its trend is overall in good comparison, considering that the experimental data is obtained from polycrystalline Ni sample containing many internal defects. The Us-up curve shows deviation especially for low up, since the sound speed c0 along <100> direction acts as the lower bound for shock velocity (Us ≥ c0).

Original languageEnglish
Pages (from-to)3273-3281
Number of pages9
JournalJournal of Mechanical Science and Technology
Volume32
Issue number7
DOIs
Publication statusPublished - 2018 Jul 1

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Molecular dynamics
Nickel
Single crystals
Computer simulation
Equations of state
Acoustic waves
Crystalline materials
Atoms
Defects

All Science Journal Classification (ASJC) codes

  • Mechanics of Materials
  • Mechanical Engineering

Cite this

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Molecular dynamics study of Hugoniot relation in shocked nickel single crystal. / Choi, Jimin; Yoo, Sanghyuk; Song, Soonho; Park, Jung Su; Kang, Keonwook.

In: Journal of Mechanical Science and Technology, Vol. 32, No. 7, 01.07.2018, p. 3273-3281.

Research output: Contribution to journalArticle

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