Structure of polydisperse inverse ferrofluids: theory and computer simulation
Article Abstract:
Molecular dynamics simulations are used for examining the structure of colloidal crystal formed by nonmagnetic microparticles suspended in ferrofluids, by considering the effect of polydispersity in size of the nonmagnetic microparticles. The effect of microparticle size distributions, including polydispersity in size, has played a vital role in the formation of various kinds of structural configurations.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2008
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Thermal response in crystalline I[beta] cellulose: A molecular dynamics study
Article Abstract:
The influence of temperature on structure and properties of the cellulose I[beta] crystal studied by molecular dynamics simulations with GROMOs 45a4 force-field was found to reproduce the crystal structure sufficiently well in terms of crystal density, packing and crystal unit cell dimensions, chain conformation parameters, hydrogen bonds and Young's modulus.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
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Slow dynamics and re-entrant melting in a polydisperse hard-sphere fluid
Article Abstract:
Extensive molecular dynamic simulations are performed at six percent polydispersity to investigate the phase diagram of a polydisperse hard-sphere fluid and the dynamical behavior in each phase. The existence of the glass transition is suggested even in the hard-sphere fluid with small polydispersity.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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