The structure in warm dense carbon

Vorberger, Jan; Plageman, Kai-Uwe; Redmer, R.

doi:10.1016/j.hedp.2019.100737

Cited by 8 publications

(4 citation statements)

References 105 publications

(159 reference statements)

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“…The two-peak liquid structures predicted by the DFT-MD simulations are very similar to those present in the data for all the target/pressure combinations where liquid structure dominates. This similarity indicates that carbon-carbon bonding continues to strongly influence the behaviour [49,50]. The shapes, positions and heights of the liquid peaks in the simulations agree very closely with the measured lineouts, although this is true for both fully and partially mixed simulations.…”

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confidence: 59%

Liquid Structure of Shock-Compressed Hydrocarbons at Megabar Pressures

et al. 2018

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We present results for the ionic structure in hydrocarbons (polystyrene, polyethylene) that were shock compressed to pressures of up to 190 GPa, inducing rapid melting of the samples. The structure of the resulting liquid is then probed using in situ diffraction by an X-ray free electron laser beam, demonstrating the capability to obtain reliable diffraction data in a single shot, even for low-Z samples without long range order. The data agrees well with ab initio simulations, validating the ability of such approaches to model mixed samples in states where complex interparticle bonds remain, and showing that simpler models are not necessarily valid. While the results clearly exclude the possibility of complete carbon-hydrogen demixing at the conditions probed, they also, in contrast to previous predictions, indicate that diffraction is not always a sufficient diagnostic for this phenomenon.

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confidence: 59%

Liquid Structure of Shock-Compressed Hydrocarbons at Megabar Pressures

et al. 2018

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“…particle correlations. A more direct analysis of such clusters is possible based on higher order structure factors giving insight into, e.g., bond angle distributions [85], lifetimes or correlations of molecules [86], or nonlinear scattering [87].…”

Section: Quadratic Density Responsementioning

confidence: 99%

Nonlinear density response from imaginary-time correlation functions: Ab initio path integral Monte Carlo simulations of the warm dense electron gas

Dornheim,

Moldabekov,

Vorberger

2021

Preprint

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“…Material properties are only poorly understood and theoretically very difficult to describe in the transition regime between solid-state matter and a plasma [1][2][3][4], the so-called warm dense matter regime [5]. Here, the thermal energy of electrons is similar to those of chemical bond energies and above giving rise to extreme chemistry [6].…”

Section: Introductionmentioning

confidence: 99%

Recovery of release cloud from laser shock-loaded graphite and hydrocarbon targets: in search of diamonds

Schuster

Voigt

Klemmed

et al. 2022

J. Phys. D: Appl. Phys.

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This work presents first insights into the dynamics of free-surface release clouds from dynamically compressed polystyrene and pyrolytic graphite at pressures up to 200 GPa, where they transform into diamond or lonsdaleite, respectively. These ejecta clouds are released into either vacuum or various types of catcher systems, and are monitored with high-speed recordings (frame rates up to 10 MHz). Molecular dynamics simulations are used to give insights to the rate of diamond preservation throughout the free expansion and catcher impact process, highlighting the challenges of diamond retrieval. Raman spectroscopy data show graphitic signatures on a catcher plate confirming that the shock-compressed polystyrene is transformed. First electron microscopy analyses of solid catcher plates yield an outstanding number of different spherical-like objects in the size range between ten(s) up to hundreds of nanometres, which are one type of two potential diamond candidates identified. The origin of some objects can unambiguously be assigned, while the history of others remains speculative.

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The structure in warm dense carbon

Cited by 8 publications

References 105 publications

Liquid Structure of Shock-Compressed Hydrocarbons at Megabar Pressures

Liquid Structure of Shock-Compressed Hydrocarbons at Megabar Pressures

Nonlinear density response from imaginary-time correlation functions: Ab initio path integral Monte Carlo simulations of the warm dense electron gas

Recovery of release cloud from laser shock-loaded graphite and hydrocarbon targets: in search of diamonds

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