Abstract
The properties of silica clusters at temperatures of 1500 to 2800 K have been investigated using classical molecular dynamics simulations for particles containing up to 1152 atoms. We found that the atoms in the cluster were arranged in a shell like structure at low temperatures and that the radial density profile peaked near the outer-edge of the particle. Our computed surface tension did not show any significant size dependent behavior. Finally our computed diffusion coefficients in the liquid state are larger than bulk computed diffusivities. Smaller clusters have much higher pressures and lower the temperature of melting.
Schweigert, I V;
[1]
Lehtinen, K E.J.;
[2]
Carrier, M J;
[3]
Zachariah, M R;
[4]
Minnesota Supercomputer Institute, Minneapolis (United States)]
- Institute of Theoretical and Applied Mechanics, Novosibirsk 630090 (Russian Federation)
- University of Helsinki (Finland)
- National Institute of Standards and Technology, Gaithersburg (United States)
- Department of Mechanical Engineering and Chemistry, University of Minnesota, Minneapolis (United States)
Citation Formats
Schweigert, I V, Lehtinen, K E.J., Carrier, M J, Zachariah, M R, and Minnesota Supercomputer Institute, Minneapolis (United States)].
Nanoscale SiO2 particles at high temperatures: Size dependent properties.
United States: N. p.,
2002.
Web.
doi:10.1063/1.1527812.
Schweigert, I V, Lehtinen, K E.J., Carrier, M J, Zachariah, M R, & Minnesota Supercomputer Institute, Minneapolis (United States)].
Nanoscale SiO2 particles at high temperatures: Size dependent properties.
United States.
https://doi.org/10.1063/1.1527812
Schweigert, I V, Lehtinen, K E.J., Carrier, M J, Zachariah, M R, and Minnesota Supercomputer Institute, Minneapolis (United States)].
2002.
"Nanoscale SiO2 particles at high temperatures: Size dependent properties."
United States.
https://doi.org/10.1063/1.1527812.
@misc{etde_20621178,
title = {Nanoscale SiO2 particles at high temperatures: Size dependent properties}
author = {Schweigert, I V, Lehtinen, K E.J., Carrier, M J, Zachariah, M R, and Minnesota Supercomputer Institute, Minneapolis (United States)]}
abstractNote = {The properties of silica clusters at temperatures of 1500 to 2800 K have been investigated using classical molecular dynamics simulations for particles containing up to 1152 atoms. We found that the atoms in the cluster were arranged in a shell like structure at low temperatures and that the radial density profile peaked near the outer-edge of the particle. Our computed surface tension did not show any significant size dependent behavior. Finally our computed diffusion coefficients in the liquid state are larger than bulk computed diffusivities. Smaller clusters have much higher pressures and lower the temperature of melting.}
doi = {10.1063/1.1527812}
journal = []
issue = {1}
volume = {649}
journal type = {AC}
place = {United States}
year = {2002}
month = {Dec}
}
title = {Nanoscale SiO2 particles at high temperatures: Size dependent properties}
author = {Schweigert, I V, Lehtinen, K E.J., Carrier, M J, Zachariah, M R, and Minnesota Supercomputer Institute, Minneapolis (United States)]}
abstractNote = {The properties of silica clusters at temperatures of 1500 to 2800 K have been investigated using classical molecular dynamics simulations for particles containing up to 1152 atoms. We found that the atoms in the cluster were arranged in a shell like structure at low temperatures and that the radial density profile peaked near the outer-edge of the particle. Our computed surface tension did not show any significant size dependent behavior. Finally our computed diffusion coefficients in the liquid state are larger than bulk computed diffusivities. Smaller clusters have much higher pressures and lower the temperature of melting.}
doi = {10.1063/1.1527812}
journal = []
issue = {1}
volume = {649}
journal type = {AC}
place = {United States}
year = {2002}
month = {Dec}
}