READ ME File For 'Molecular Dynamics I'

Dataset DOI:  https://doi.org/10.5258/SOTON/D2569

ReadMe Author: SUNNY CHAUDHARY, University of Southampton ORCID ID: orcid.org/0000-0003-2664-7083

This dataset supports the thesis entitled: Molecular Dynamics in Core-Shell Filled Epoxy Nanocomposites
AWARDED BY: Univeristy of Southampton
DATE OF AWARD: 2023

DESCRIPTION OF THE DATA

The dataset contains data for following measurements:
a) Dielectric Spectroscopy - Room Temperature and Temperature Range (-160 to 160 C)
b) Fourier Transform Infra-Red Spectroscopy
c) Transmission Electron Miscroscopy
d) Diffrential Scanning Calorimetery

Methodology:

Transmission electron microscopy (TEM) was conducted using a Hitachi H 7000 TEM operated under high-resolution bright-field mode. To prepare the required samples, a quantity of nanoparticles was 
added to ethanol and sonicated and a small drop of the resulting dispersion placed onto a carbon-coated TEM grid. To determine the particle size distribution present in a given system, multiple TEM images were
obtained from different areas of the above grids, with 40 nanoparticles being chosen at random from these multiple images for analysis using the ImageJ image analysis software package.  Mettler Toledo DSC820 differential scanning calorimetry (DSC) was used to evaluate glass 
transition temperatures (Tg) after calibration of the instrument using high-purity indium, as well as zinc. In all cases, 4.5 mg in mass was employed using a two-step heating cycle, where the first cycle
was used to erase the thermal history of the sample and the second cycle was used to determine the reported Tg, which was taken as the inflexion point in the heat flow curve. Throughout the heating/cooling/
heating programme, a constant rate of 10 C min^-1 was used. Three samples were measured per material; the Tg was calculated by the mean value and the experimental uncertainty by standard
deviation. Attenuated total reflection Fourier transform infrared (ATR-FTIR) spectra were obtained using an iD7 Nicolet iS5 spectrometer from ThermoFisher. The dielectric response of the samples was measured via broadband dielectric spectroscopy (BDS) using a Solartron 1296 dielectric interface and a Schlumberger SI 1260 impedance/phase gain analyser.
Samples were sputter-coated with 20-mm-diameter gold electrodes prior to analysis and then mounted in a Janis Research STVP 200 XG system for measurement over the temperature range of - 160 to 160 C. 
An AC voltage of 7 V was used from 10^-1 to 10^5 Hz; an integration time of 10 s was used above 1 Hz; below 1 Hz acquired data were averaged over 10 cycles.

This dataset contains:

.xlsx and .csv measured data files for all the dataset from the techniques mentioned above.

Date of data collection: 27 September 2018 - 11 September 2021

Licence:
CC-By

Related projects/Funders:
PolyTherm - Polymer Competence Center Leoben, Austria

Related publication:

Investigating the role of particle interphase on the electrical behavior in nanodielectric materials
Chaudhary, S., Andritsch, T. & Vaughan, A., 15 Jan 2019, 12th Universities High Voltage Network Colloquium. p. 23 

Effect of core-shell particles on the dielectric properties of epoxy nanocomposites
Chaudhary, S., Andritsch, T. & Vaughan, A., 27 Feb 2020, 2019 IEEE Conference on Electrical Insulation and Dielectric Phenomena, CEIDP 2019 - Proceedings. IEEE, p. 729-732 4 p. 9009643. (Annual Report - Conference on Electrical Insulation and Dielectric Phenomena, CEIDP; vol. 2019-October).

Effect of nano-particle volume and surface characteristics on the bulk properties of epoxy nano-composite
Chaudhary, S., Andritsch, T. & Vaughan, A., 15 Jun 2020, (Accepted/In press) IEEE 2020 International Conference on Dielectrics. IEEE

Effect of shell-thickness on the dielectric properties of TiO2/SiO2 core-shell nanoparticles filled epoxy nanocomposites
Chaudhary, S., Andritsch, T. & Vaughan, A., 17 Oct 2020, 2020 IEEE Conference on Electrical Insulation and Dielectric Phenomena (CEIDP). IEEE

Molecular dynamics of epoxy nanocomposites filled with core–shell and hollow nanosilica architectures
Chaudhary, S., Vryonis, O., Vaughan, A. & Andritsch, T., 22 Nov 2022, In: Journal of Materials Science. 57, p. 21020–21038 19 p.

Dielectric response in epoxy nanocomposites incorporating various nano-silica architectures
Chaudhary, S., Vryonis, O., Vaughan, A. & Andritsch, T., 15 Feb 2022, 2021 IEEE Conference on Electrical Insulation and Dielectric Phenomena (CEIDP). IEEE, p. 57-60 4 p.

Dynamic mechanical response in epoxy nanocomposites incorporating various nano-silica architectures
Chaudhary, S., Vryonis, O., Vaughan, A., Andritsch, T. & Feuchter, M., 7 Jul 2022, (E-pub ahead of print).

Date that the file was created: 03, 2023