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Showing 1 to 6 of 6 entries
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Phase equilibria, fluid structure, and diffusivity of a discotic liquid crystal.

Soft matter

Cienega-Cacerez O, Moreno-Razo JA, Díaz-Herrera E, Sambriski EJ.
PMID: 24718439
Soft Matter. 2014 May 14;10(18):3171-82. doi: 10.1039/c3sm52301b. Epub 2014 Jan 30.

Molecular Dynamics simulations were performed for the Gay-Berne discotic fluid parameterized by GB(0.345, 0.2, 1.0, 2.0). The volumetric phase diagram exhibits isotropic (IL), nematic (ND), and two columnar phases characterized by radial distribution functions: the transversal fluid structure varies...

Analytical coarse-grained description for polymer melts.

The Journal of chemical physics

Sambriski EJ, Yatsenko G, Nemirovskaya MA, Guenza MG.
PMID: 17190572
J Chem Phys. 2006 Dec 21;125(23):234902. doi: 10.1063/1.2404669.

Starting from the Ornstein-Zernike equation the authors derive an analytical theory, at the level of pair correlation functions, which coarse grains polymer melts into liquids of interacting soft colloidal particles. Since it is analytical, the presented coarse-graining approach will...

Theoretical coarse-graining approach to bridge length scales in diblock copolymer liquids.

Physical review. E, Statistical, nonlinear, and soft matter physics

Sambriski EJ, Guenza MG.
PMID: 18233675
Phys Rev E Stat Nonlin Soft Matter Phys. 2007 Nov;76(5):051801. doi: 10.1103/PhysRevE.76.051801. Epub 2007 Nov 02.

A microscopic theory for coarse graining diblock copolymers into dumbbells of interacting soft colloidal particles has been developed based on the solution of liquid-state integral equations. The Ornstein-Zernike equation is solved to provide a mesoscopic description of the diblock...

Coarse-grained description of polymer blends as interacting soft-colloidal particles.

The Journal of chemical physics

Yatsenko G, Sambriski EJ, Guenza MG.
PMID: 15740353
J Chem Phys. 2005 Feb 01;122(5):54907. doi: 10.1063/1.1835271.

We present a theoretical approach which maps polymer blends onto mixtures of soft-colloidal particles. The analytical mesoscale pair correlation functions reproduce well data from united atom molecular dynamics simulations of polyolefin mixtures without fitting parameters. The theory exactly recovers...

Sequence effects in the melting and renaturation of short DNA oligonucleotides: structure and mechanistic pathways.

Journal of physics. Condensed matter : an Institute of Physics journal

Sambriski EJ, Ortiz V, de Pablo JJ.
PMID: 21817250
J Phys Condens Matter. 2009 Jan 21;21(3):034105. doi: 10.1088/0953-8984/21/3/034105. Epub 2008 Dec 17.

The renaturation/denaturation of DNA oligonucleotides is characterized in the context of expanded ensemble (EXE) and transition path sampling (TPS) simulations. Free energy profiles have been determined from EXE for DNA sequences of varying composition, chain length, and ionic strength....

Induced stabilization of columnar phases in binary mixtures of discotic liquid crystals.

Soft matter

Cienega-Cacerez O, García-Alcántara C, Moreno-Razo JA, Díaz-Herrera E, Sambriski EJ.
PMID: 26576703
Soft Matter. 2016 Jan 28;12(4):1295-312. doi: 10.1039/c5sm01959a.

Three discotic liquid-crystalline binary mixtures, characterized by their extent of bidispersity in molecular thickness, were investigated with molecular dynamics simulations. Each equimolar mixture contained A-type (thin) and B-type (thick) discogens. The temperature-dependence of the orientational order parameter reveals that...

Showing 1 to 6 of 6 entries