Proposing a new model for ramp compression from ab initio calculations

ORAL

Abstract

High-pressure states of matter can be reached through static compression, using diamond

anvil cells, or by dynamic shock and ramp compression experiments. While shock

compression is relatively well understood and described by the formalism of the Hugoniot

equations, no such formalism exists for ramp compression. The compression is thought to

be quasi-isentropic, leading to lower temperatures than shock compression, but there are

currently no measurements of temperature during ramp compression or a theoretical

framework to derive how much heating occurs. In this work, we present a model of ramp

compression that is based on thermodynamics and ab initio calculations where we

approximate ramp loading as a series of compression and relaxation steps. We apply our

model to diamond and we compare our predictions with the measured stress-density

relations reported from experiments [1-3]. We find good agreement between our model and

a multishock Hugoniot scheme, as well as with a recently proposed strength model for

diamond based on plastic work [4].

References:

[1] D. Bradley et al., PRL 102, 075503 (2009).

[2] R. Smith et al., Nature 511, 330 (2014).

[3] A. Lazicki et al., Nature 589, 532 (2021).

[4] D.C. Swift et al., arXiv 2004.03071 (2020).

*This work was in part supported by the National Science Foundation-Department of Energy (DOE) partnership for plasma science and engineering (Grant No. DE-SC0016248), by the DOE-National Nuclear Security Administration (Grant No. DE-NA0003842), and the University of California Labo- ratory Fees Research Program (Grant No. LFR-17-449059). This work was also performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. This research used computational resources of the National En- ergy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Sci- ence of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.

Publication: "Model of Ramp Compression of Diamond from Ab Initio Simulations," F. González-Cataldo, B.K. Godwal, Kevin Driver, Raymond Jeanloz, and Burkhard Militzer. Physical Review B, 104, 134104 (2021)

Presenters

  • Felipe J Gonzalez

    • University of California, Berkeley

Authors

  • Felipe J Gonzalez

    • University of California, Berkeley
  • Budhiram K Godwal

    • University of California, Berkeley
  • Kevin P Driver

    • Lawrence Livermore Natl Lab
  • Raymond Jeanloz

    • University of California, Berkeley
  • Burkhard Militzer

    • University of California, Berkeley