This dataset consists of mean-squared displacement and
shear-mechanical data on cumene (isopropyl benzene) and mean-squared
displacement data on 5PPE (5-polyphenyl ether) as presented in:

Henriette Wase Hansen, Bernhard Frick, Tina Hecksher, Jeppe C. Dyre
and Kristine Niss.
"Connection between fragility, mean-squared displacement, and shear
modulus in two van der Waals bonded glass-forming liquids"
Physical Review B 95, 104202 (2017).

also available at arXiv:1611.01748 [cond-mat.soft]
(http://arxiv.org/abs/1611.01748)

This electronic version of the data was published on the
"Glass and Time - Data repository" found at http://glass.ruc.dk/data

The authors have copyright to these data. 

The authors have given permission to "Glass and Time" to publish the
data on the "Glass and Time - Data repository" website. 

You are very welcome to use the data for further analysis, but
are requested to cite the original publication whenever use is made of
the data in publications, presentations, etc. 

Any questions regarding the data can be addressed to hwase@ruc.dk who
would also appreciate a mail if you find the data useful.

____________________________________________________________________

The downloaded file contains three sub-directories. The details
are given below for each of these: 


cumene_shear:
	This directory contains the shear data on cumene shown in
	figure 1 in the paper. The directory contains four data files
	(1) cumene_shear_T.dat 
		-- temperatures in Kelvin corresponding to the shear data. 
	(2) cumene_shear_fr.dat 
		-- the frequencies in Hertz corresponding to the shear data
	(3) cumene_shear_real.dat 
		-- the real part of the shear modulus in GPa
	(4) cumene_shear_imag.dat 
		-- the imaginary part of the shear modulus in GPa
The files (3) and (4) contain the shear data. Each column corresponds
to a temperature and each row corresponds to a frequency. For example:
cumene_shear_real(n,m)+i*cumene_shear_imag(n,m) is the total complex
shear modulus at temperature cumene_shear_T(m) and frequency
cumene_shear_fr(n)
	

cumene_msd:	
	This directory contains the mean-squared displacement data on
	cumene shown in figure 1 in the paper. The directory contains
	two data files
	(1) cumene_u2_IN16B.dat from IN16B which has two rows: 
		Temperature [K] and the mean-squared displacement <u^2> [Å^2]
	(2) cumene_u2_IN10.dat from IN10 which has two rows: 
		Temperature [K] and the mean-squared displacement <u^2> [Å^2]
The mean-squared displacement from IN10 was originally puclished in
K. Niss, C. Dalle-Ferrier, B. Frick, D. Russo, J. Dyre, and
C. Alba-Simionesco, Physical Review E 82, 021508 (2010).
	

5PPE_msd: 
	This directory contains the mean-squared displacement data on
	5PPE shown in figure 5 in the paper. The directory contains
	one data file
	(1) ppe_u2.dat from IN16 which has two rows: 
		Temperature [K] and the mean-squared displacement <u^2> [Å^2]

The shear data on 5PPE from figure 5 in the paper are published in
Tina Hecksher, Niels Boye Olsen, Keith A. Nelson, Jeppe C. Dyre, and
Tage Christensen, "Mechanical spectra of glass-forming
liquids. I. Low-frequency bulk and shear moduli of DC704 and 5-PPE
measured by piezoceramic transducers". Journal of Chemical Physics
138, 12A543 (2013) and are also available on the data repository.
	


	   Last edited April 2017, Henriette Wase Hansen