Abstracts Book - IMRC 2018

• SD2-P007
MODELLING OF PHASE BEHAVIOR FOR TWO DIMENSIONAL MIES
POTENTIAL USING GPU.
Patricia del Carmen Tavares Ramirez 1 , Luis Adrian Padilla Salas 1 , Ana Laura Benavides
Obregon 1 , Julio Cesar Armas Perez 1
1 Universidad de Guanajuato campus León, Division de Ciencias e Ingenierias, Mexico.
Low dimensionality induces interesting and intriguing behaviors in Soft matter.
An good example of this is the intermediate phase observed between the
isotropic fluid and ordered solid phase, for a system of hard spheres is confined
to move in two dimensions. This phase is so-called hexatic and it has been found
that the topological defects are the driven forces for transition phase. For this
study, we make a systematic study, through molecular simulations, to
understand the effect of the repulsive and attractive part of the intermolecular
potential to observe hexatic phase. For that, we have chosen the Mies
intermolecular potential, which is a generalized version of well known 12-6
Lennard-Jones potential. Mies potential allows to change straightforward the
strength of repulsive and attractive forces through parameters n and m,
respectively.
We have used a Molecular Dynamics open source code called HooMD. This
software has important features such as being highly parallelizable, so part of
the code runs on GPU. From the results obtained, we found a crucial correlation
between the repulsive part and the formation of the hexatic phase. The phase
diagram for different pairs of values of n and m is presented.
Acknowledgment:
This research was funding thanks to PRODEP UGTO-PTC-578. Patricia del
Carmen Tavares Ramírez is grateful for a CONACYT scholarship. L. A. Padilla is
grateful for the Ph.D. scholarship provided by CONACyT. National Laboratory
UG-UAA-CONACyT (No. 123732) is acknowledged for supercomputing
resources. J. C. Armas-Perez is thankfully to Miztli Supercomputer of the DGTIC-
UNAM facilities.