[institut] Подсeтник/Reminder SCL Seminar: Miljan Dasic, четвртак-Thursday, 18 April, 14:00

[Igor Stankovic]

Поштоване колегинице и колеге,

Са задовољством вас позивамo на СЦЛ семинар Лабораторије за примену 
рачунара у науци Центра за изучавање комплексних система, који ће се 
одржати у четвртак 18. априла 2019. у 14:00 у читаоници Института за 
физику „Др Драган Поповић“.

Колега Миљан Дашић представиће изабране резултате из своје докторске 
дисертације.

Наслов на енглеском и апстракт предавања су у наставку поруке.

Са поштовањем,
Игор Станковић

Dear colleagues,

We are pleased to invite you to the SCL seminar of the Scientific 
Computing Laboratory, Center for the Study of Complex Systems,  which 
will be held on Thursday, 18 April 2019 at 14:00 in the library reading 
room “Dr. Dragan Popović" of the Institute of Physics Belgrade.

Mr. Miljan Dašić will present selected results from his Ph.D. thesis in 
a talk entitled

Modeling the behavior of confined dipolar configurations and ionic 
liquids

Abstract of the talk:

Self-assembly of hard spheres with permanent dipole moment under 
cylindrical confinement, (dipolar helices composed of dipolar hard 
spheres) has been investigated [1]. An approach for studying mesoscopic 
phenomena related to the lubrication with ionic liquids based on 
coarse-grained molecular dynamics simulations has been developed [2, 3, 
4]. Two generic models of ionic liquid, i.e., salt model (SM) [2, 3] and 
tailed model (TM) [4] have been implemented. The behavior of both bulk 
and confined ionic liquids has been carefully studied under static and 
dynamic conditions. The similarity of dipolar configurations and ionic 
liquids comes from the fact that their structure and behavior are 
governed by long-range interactions: dipole-dipole interaction (which is 
in addition anisotropic) and Coulombic interaction. Lekner method for 
summing the dipole-dipole interactions of 1D periodic structures has 
been applied for studying dipolar configurations, while MSM (multi-level 
summation) method for handling Coulombic interactions has been applied 
in the study of ionic liquids. A clear emergence of ordered structures 
(geometrically regular dipolar configurations and alternating ionic 
liquid layers) is a clear consequence of long-range interactions.

References:
[1] I. Stanković, M. Dašić and R. Messina, “Structure and cohesive 
energy of dipolar helices”, Soft Matter 12, 3056 (2016)
[2] K. Gkagkas, V. Ponnuchamy, M. Dašić and I. Stanković, “Molecular 
dynamics investigation of a model ionic liquid lubricant for automotive 
applications”, Tribology International 113, 83 (2017)
[3] M. Dašić, I. Stanković and K. Gkagkas, “Influence of confinement on 
flow and lubrication properties of a salt model ionic liquid 
investigated with molecular dynamics”, The European Physical Journal E 
41, 130 (2018)
[4] M. Dašić, I. Stanković and K. Gkagkas, “Molecular dynamics 
investigation of the influence of the shape of the cation on the 
structure and lubrication properties of ionic liquids”, Physical 
Chemistry Chemical Physics 21, 4375 (2019)

With best regards,
Igor Stanković

-- 
Scientific Computing Laboratory

Institute of Physics Belgrade
University of Belgrade

Pregrevica 118, 11080 Belgrade, Serbia
http://www.ipb.ac.rs/

+381 11 3713 124