Grüneisen parameter and equations of states for copper – High pressure study

Joshi, R. H.; Bhatt, N. K.; Thakore, B. Y.; Vyas, P. R.; Jani, A. R.

doi:10.1016/j.cocom.2017.11.003

Cited by 13 publications

(4 citation statements)

References 29 publications

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“…Under high-pressure conditions, the behavior of metallic materials can be described by the equation of state (EOS) [3]. In the study on high-pressure physics, a deep understanding of EOS and other characteristics, such as the shock Hugoniot, Grüneisen coefficient (γ), and melting temperature (T m ), is vital [4,5].…”

Section: Introductionmentioning

confidence: 99%

Hugoniot States and Mie–Grüneisen Equation of State of Iron Estimated Using Molecular Dynamics

et al. 2021

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The objective of this study was to develop a micromechanical approach for determining the Mie–Grüneisen EOS parameters of iron under the Hugoniot states. The multiscale shock technique (MSST) coupled with molecular dynamics (MD) simulations was employed to describe the shocked Hugoniot relation of single-crystal (SC) and nanocrystalline (NC) iron under high pressures. The Mie–Grüneisen equation of state (EOS) parameters, the cold pressure (Pc), the cold energy (Ec), the Grüneisen coefficient (γ), and the melting temperature (Tm) are discussed. The error between SC and NC iron results was found to be less than 1.5%. Interestingly, the differences in Hugoniot state (PH) and the internal energy between SC and NC iron were insignificant, which shows that the effect of grain size (GS) under high pressures was not significant. The Pc and Ec of SC and NC iron calculated based on the Morse potential were almost the same with those calculated based on the Born–Mayer potential; however, those calculated based on the Born–Mayer potential were a little larger at high pressures. In addition, several empirical and theoretical models were compared for the calculation of γ and Tm. The Mie–Grüneisen EOSs were shown on the 3D contour space; the pressure obtained with the Hugoniot curves as the reference was larger than that obtained with the cold curves as the reference.

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Section: Introductionmentioning

confidence: 99%

Hugoniot States and Mie–Grüneisen Equation of State of Iron Estimated Using Molecular Dynamics

et al. 2021

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“…Having obtained the total Helmholtz free energy F (V, T M ), including the phonon anharmonic part, [38] we can estimate C L as follows. Following Joshi et al, [48,49] we have computed the effective vibrational force constant at T M and thereby determined θ e on replacing E e by F (V, T M ). Finally, an equilibrium lattice constant a 0 corresponding to T M is used to find the Lindemann constant.…”

Section: Theoretical Formalism 21 Interaction Potentialmentioning

confidence: 99%

Structural and mass transport properties of liquid ytterbium in the temperature range 1123 K–1473 K

2023

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We have studied structural and atomic transport properties for liquid f-shell ytterbium in a temperature range 1123–1473 K. Pair interactions among atoms are derived using a local pseudopotential. The potential parameters are fitted to the phonon dispersion curve at room temperature. The local pseudopotential used in the present study is computationally more efficient with only three parameters, and it is found to be transferable to the liquid phase without changing the parameters. Since computed various properties agree with reported theoretical and experimental findings; the adopted fitting scheme is justified. As a significant outcome of the study, we find that (i) the melting in Yb is governed by the Lindemann’s law, (ii) the mass transport mechanism obeys the Arrhenius law, (iii) the role of three particle correlation function for deriving the velocity autocorrelation function is little, (iv) the mean-square atomic displacement is more sensitive to the choice of interaction potential than the other bulk properties, and (v) the liquid Yb does not show liquid-liquid phase transition within the studied temperature range. Further, due to a good description of the structural and mass transport properties, we propose that Yb remains divalent at reduced density.

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“…Several studies investigated the Gruneisen parameters of materials, and method to measure Gruneisen parameters. For example, the Gruneisen parameter of lead, copper, and steel are 2.1, 2.0, and 1.7, respectively [31][32][33].…”

Section: X-ray Induced Acoustic Characteristics Of Target Materialsmentioning

confidence: 99%

GPU-accelerated 3D volumetric X-ray-induced acoustic computed tomography

Lee

Park

Choi

et al. 2020

Biomed. Opt. Express

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X-ray acoustic imaging is a hybrid biomedical imaging technique that can acoustically monitor X-ray absorption distribution in biological tissues through the X-ray induced acoustic effect. In this study, we developed a 3D volumetric X-ray-induced acoustic computed tomography (XACT) system with a portable pulsed X-ray source and an arc-shaped ultrasound array transducer. 3D volumetric XACT images are reconstructed via the back-projection algorithm, accelerated by a custom-developed graphics processing unit (GPU) software. Compared with a CPU-based software, the GPU software reconstructs an image over 40 times faster. We have successfully acquired 3D volumetric XACT images of various lead targets, and this work shows that the 3D volumetric XACT system can monitor a high-resolution X-ray dose distribution and image X-ray absorbing structures inside biological tissues.

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Grüneisen parameter and equations of states for copper – High pressure study

Cited by 13 publications

References 29 publications

Hugoniot States and Mie–Grüneisen Equation of State of Iron Estimated Using Molecular Dynamics

Hugoniot States and Mie–Grüneisen Equation of State of Iron Estimated Using Molecular Dynamics

Structural and mass transport properties of liquid ytterbium in the temperature range 1123 K–1473 K

GPU-accelerated 3D volumetric X-ray-induced acoustic computed tomography

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