From 4630ff28887bb9b621ea0f51779d4735b03a2d92 Mon Sep 17 00:00:00 2001 From: Simon Gravelle Date: Sun, 31 Dec 2023 12:15:10 +0100 Subject: [PATCH] added figure legend --- .../illustrations/lennard-jones-fluids.rst | 16 ++++++++++++---- 1 file changed, 12 insertions(+), 4 deletions(-) diff --git a/docs/source/illustrations/lennard-jones-fluids.rst b/docs/source/illustrations/lennard-jones-fluids.rst index 5bfe3cec..b30009d4 100755 --- a/docs/source/illustrations/lennard-jones-fluids.rst +++ b/docs/source/illustrations/lennard-jones-fluids.rst @@ -76,6 +76,16 @@ MD system repository +Results +------- + +.. container:: justify + + The correlation function :math:`G^(0)` was first extract for two temperatures, :math:`T = 50` + and :math:`140\,\text{K}`, and compared with the correlation functions reported by Grivet :cite:`grivetNMRRelaxationParameters2005`. + Our results show an excellent agreement with the results from Grivet, thus validating the + NMR formalism used here as well as the LJ system and parameters. + .. image:: ../figures/illustrations/lennard-jones-fluid/G_correlation-dark.png :class: only-dark :alt: NMR results obtained from the LAMMPS simulation of water @@ -86,7 +96,5 @@ MD system .. container:: figurelegend - Figure: NMR relaxation times :math:`T_1` (disks) and - :math:`T_2` (squares) as a function - of the frequency :math:`f` for - the :math:`\text{PEG-H}_2\text{O}` bulk mixture. + Figure: Correlation function :math:`G^(0)` as extracted from the LJ fluid simulation + for two different temperatures, and compared with the data from Grivet :cite:`grivetNMRRelaxationParameters2005` (open symbols).