Naslov
Periodic Boundary Conditions for MR Linear Contact Detection Algorithm in YNANO

Autori
Su, Fang ; Lukas, Tomas ; Guillermo, Gonzalo Schiava D’Albano ; Zhu, Hai ; Antonio Munjiza ;

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
PARTICLES 2015 IV International Conference on Particle-Based Methods. Fundamentals and Applications / - , 2015, 1-1

Skup
PARTICLES 2015 IV International Conference on Particle-Based Methods. Fundamentals and Applications

Mjesto i datum
Barcelona, Španjolska, 28.09.2015. - 30.09.2015

Vrsta sudjelovanja
Predavanje

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
Periodic Boundary Conditions for MR Linear Contact Detection Algorithm in YNANO

Sažetak
Periodic Boundary Conditions for MR Linear Contact Detection Algorithm in YNANO The Molecular Dynamics simulation (MD) is an atomistic discontinua simulation tool which has been widely used in computational physics, biology, nano mechanic, nano technology and etc. [1][2][3][4][5] The most time consuming part of a MD simulation is the contact detection process, therefore a good contact detection algorithm is essential to the efficiency of a simulation. MR linear contact detection (linear sort and linear search) algorithm is a widely-used contact detection algorithm because of its linear processing time proportional to the number of atoms. [6] YNANO one such open-source MD code implemented with MR linear contact detection algorithm. However, the MR is developed without a periodic boundary condition (PBC), which greatly limited its application in fluid and gas dynamics simulations. This paper implements the MR contact detection algorithm with a three dimensional PBC scheme, using a linear contact detection algorithm, MR_PB sort and MR_PB search (PB for periodic boundary).

Izvorni jezik
Engleski

Znanstvena područja
Interdisciplinarne prirodne znanosti, Interdisciplinarne tehničke znanosti

POVEZANOST RADA