Measuring the structure and equation of state of polyethylene terephthalate at megabar pressures

J. Lütgert; J. Vorberger; N. J. Hartley; K. Voigt; M. Rödel; A. K. Schuster; A. Benuzzi-Mounaix; S. Brown; T. E. Cowan; E. Cunningham; T. Döppner; R. W. Falcone; L. B. Fletcher; E. Galtier; S. H. Glenzer; A. Laso Garcia; D. O. Gericke; P. A. Heimann; H. J. Lee; E. E. McBride; A. Pelka; I. Prencipe; A. M. Saunders; M. Schölmerich; M. Schörner; P. Sun; T. Vinci; A. Ravasio; D. Kraus

doi:10.1038/s41598-021-91769-0

Measuring the structure and equation of state of polyethylene terephthalate at megabar pressures

J. Lütgert
, J. Vorberger
, N. J. Hartley
, K. Voigt
, M. Rödel
, A. K. Schuster
, A. Benuzzi-Mounaix
, S. Brown
, T. E. Cowan
, E. Cunningham
, T. Döppner
, R. W. Falcone
, L. B. Fletcher
, E. Galtier
, S. H. Glenzer
, A. Laso Garcia
, D. O. Gericke
, P. A. Heimann
, H. J. Lee
, E. E. McBride

A. Pelka, I. Prencipe, A. M. Saunders, M. Schölmerich, M. Schörner, P. Sun, T. Vinci, A. Ravasio, D. Kraus

Institute of Radiooncology - OncoRay
Institut für Festkörperphysik
Technical University Dresden
Stanford Linear Accelerator Center
Institute of Nuclear and Particle Physics
Lawrence Livermore National Laboratory
Department of Physics
University of California, Berkeley
Ernest Orlando Lawrence Berkeley National Laboratory
University of Warwick
European XFEL GmbH
Universität Rostock
Sorbonne Université

Research output: Contribution to journal › Article › peer-review

20 Citations (Scopus)

Abstract

We present structure and equation of state (EOS) measurements of biaxially orientated polyethylene terephthalate (PET, (C10H8O4)n, also called mylar) shock-compressed to (155 ± 20) GPa and (6000 ± 1000) K using in situ X-ray diffraction, Doppler velocimetry, and optical pyrometry. Comparing to density functional theory molecular dynamics (DFT-MD) simulations, we find a highly correlated liquid at conditions differing from predictions by some equations of state tables, which underlines the influence of complex chemical interactions in this regime. EOS calculations from ab initio DFT-MD simulations and shock Hugoniot measurements of density, pressure and temperature confirm the discrepancy to these tables and present an experimentally benchmarked correction to the description of PET as an exemplary material to represent the mixture of light elements at planetary interior conditions.

Original language	English
Article number	12883
Journal	Scientific Reports
Volume	11
Issue number	1
DOIs	https://doi.org/10.1038/s41598-021-91769-0
Publication status	Published - 1 Dec 2021

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Lütgert, J., Vorberger, J., Hartley, N. J., Voigt, K., Rödel, M., Schuster, A. K., Benuzzi-Mounaix, A., Brown, S., Cowan, T. E., Cunningham, E., Döppner, T., Falcone, R. W., Fletcher, L. B., Galtier, E., Glenzer, S. H., Laso Garcia, A., Gericke, D. O., Heimann, P. A., Lee, H. J., ... Kraus, D. (2021). Measuring the structure and equation of state of polyethylene terephthalate at megabar pressures. Scientific Reports, 11(1), Article 12883. https://doi.org/10.1038/s41598-021-91769-0

@article{fa9d074f00c14ec6b952d10f89e3908a,

title = "Measuring the structure and equation of state of polyethylene terephthalate at megabar pressures",

abstract = "We present structure and equation of state (EOS) measurements of biaxially orientated polyethylene terephthalate (PET, (C10H8O4)n, also called mylar) shock-compressed to (155 ± 20) GPa and (6000 ± 1000) K using in situ X-ray diffraction, Doppler velocimetry, and optical pyrometry. Comparing to density functional theory molecular dynamics (DFT-MD) simulations, we find a highly correlated liquid at conditions differing from predictions by some equations of state tables, which underlines the influence of complex chemical interactions in this regime. EOS calculations from ab initio DFT-MD simulations and shock Hugoniot measurements of density, pressure and temperature confirm the discrepancy to these tables and present an experimentally benchmarked correction to the description of PET as an exemplary material to represent the mixture of light elements at planetary interior conditions.",

author = "J. L{\"u}tgert and J. Vorberger and Hartley, \{N. J.\} and K. Voigt and M. R{\"o}del and Schuster, \{A. K.\} and A. Benuzzi-Mounaix and S. Brown and Cowan, \{T. E.\} and E. Cunningham and T. D{\"o}ppner and Falcone, \{R. W.\} and Fletcher, \{L. B.\} and E. Galtier and Glenzer, \{S. H.\} and \{Laso Garcia\}, A. and Gericke, \{D. O.\} and Heimann, \{P. A.\} and Lee, \{H. J.\} and McBride, \{E. E.\} and A. Pelka and I. Prencipe and Saunders, \{A. M.\} and M. Sch{\"o}lmerich and M. Sch{\"o}rner and P. Sun and T. Vinci and A. Ravasio and D. Kraus",

note = "Publisher Copyright: {\textcopyright} 2021, The Author(s).",

year = "2021",

month = dec,

day = "1",

doi = "10.1038/s41598-021-91769-0",

language = "English",

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Lütgert, J, Vorberger, J, Hartley, NJ, Voigt, K, Rödel, M, Schuster, AK, Benuzzi-Mounaix, A, Brown, S, Cowan, TE, Cunningham, E, Döppner, T, Falcone, RW, Fletcher, LB, Galtier, E, Glenzer, SH, Laso Garcia, A, Gericke, DO, Heimann, PA, Lee, HJ, McBride, EE, Pelka, A, Prencipe, I, Saunders, AM, Schölmerich, M, Schörner, M, Sun, P, Vinci, T, Ravasio, A & Kraus, D 2021, 'Measuring the structure and equation of state of polyethylene terephthalate at megabar pressures', Scientific Reports, vol. 11, no. 1, 12883. https://doi.org/10.1038/s41598-021-91769-0

TY - JOUR

T1 - Measuring the structure and equation of state of polyethylene terephthalate at megabar pressures

AU - Lütgert, J.

AU - Vorberger, J.

AU - Hartley, N. J.

AU - Voigt, K.

AU - Rödel, M.

AU - Schuster, A. K.

AU - Benuzzi-Mounaix, A.

AU - Brown, S.

AU - Cowan, T. E.

AU - Cunningham, E.

AU - Döppner, T.

AU - Falcone, R. W.

AU - Fletcher, L. B.

AU - Galtier, E.

AU - Glenzer, S. H.

AU - Laso Garcia, A.

AU - Gericke, D. O.

AU - Heimann, P. A.

AU - Lee, H. J.

AU - McBride, E. E.

AU - Pelka, A.

AU - Prencipe, I.

AU - Saunders, A. M.

AU - Schölmerich, M.

AU - Schörner, M.

AU - Sun, P.

AU - Vinci, T.

AU - Ravasio, A.

AU - Kraus, D.

PY - 2021/12/1

Y1 - 2021/12/1

N2 - We present structure and equation of state (EOS) measurements of biaxially orientated polyethylene terephthalate (PET, (C10H8O4)n, also called mylar) shock-compressed to (155 ± 20) GPa and (6000 ± 1000) K using in situ X-ray diffraction, Doppler velocimetry, and optical pyrometry. Comparing to density functional theory molecular dynamics (DFT-MD) simulations, we find a highly correlated liquid at conditions differing from predictions by some equations of state tables, which underlines the influence of complex chemical interactions in this regime. EOS calculations from ab initio DFT-MD simulations and shock Hugoniot measurements of density, pressure and temperature confirm the discrepancy to these tables and present an experimentally benchmarked correction to the description of PET as an exemplary material to represent the mixture of light elements at planetary interior conditions.

AB - We present structure and equation of state (EOS) measurements of biaxially orientated polyethylene terephthalate (PET, (C10H8O4)n, also called mylar) shock-compressed to (155 ± 20) GPa and (6000 ± 1000) K using in situ X-ray diffraction, Doppler velocimetry, and optical pyrometry. Comparing to density functional theory molecular dynamics (DFT-MD) simulations, we find a highly correlated liquid at conditions differing from predictions by some equations of state tables, which underlines the influence of complex chemical interactions in this regime. EOS calculations from ab initio DFT-MD simulations and shock Hugoniot measurements of density, pressure and temperature confirm the discrepancy to these tables and present an experimentally benchmarked correction to the description of PET as an exemplary material to represent the mixture of light elements at planetary interior conditions.

U2 - 10.1038/s41598-021-91769-0

DO - 10.1038/s41598-021-91769-0

M3 - Article

C2 - 34145307

AN - SCOPUS:85108162321

SN - 2045-2322

VL - 11

JO - Scientific Reports

JF - Scientific Reports

IS - 1

M1 - 12883

ER -

Measuring the structure and equation of state of polyethylene terephthalate at megabar pressures

Abstract

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