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.

All Other Miscellaneous Chemical Product and Preparation Manufacturing, Chemical preparations, not elsewhere classified, Colloids, Colloids & Related Products, Magnetic properties

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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.

Cellulose, Thermal properties

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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.

Phase transformations (Statistical physics), Phase transitions (Physics)

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