In Quest of Optimal Algorithms for Molecular Dynamics Simulation of Surface Phenomena

• Authors: J. Mościński , W. Alda , M. Bargiel , M. Bubak , W. Dzwinel , J. Kitowski , E. Mościńska , Z. Skotniczny
• Languages of publication: EN

Abstracts

EN

In this paper we present short-range molecular dynamics algorithms and programs elaborated for sequential and vector computer architectures. They are suitable for investigations of surface and subsurface layer properties which require of about 10^{5} molecules in a computational box.

Keywords

EN

02.70.+d; 64.70.Fx; 68.10.La

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 1991
• Volume: 80
• Issue: 5
• Pages: 649-652

Dates

published

1991-11

received

1991-03-21

Contributors

author

J. Mościński

• Academy of Mining and Metallurgy, Institute of Computer Science, Al. Mickiewicza 30, 30-059 Kraków, Poland

author

W. Alda

• Academy of Mining and Metallurgy, Institute of Computer Science, Al. Mickiewicza 30, 30-059 Kraków, Poland

author

M. Bargiel

• Academy of Mining and Metallurgy, Institute of Computer Science, Al. Mickiewicza 30, 30-059 Kraków, Poland

author

M. Bubak

• Academy of Mining and Metallurgy, Institute of Computer Science, Al. Mickiewicza 30, 30-059 Kraków, Poland

author

W. Dzwinel

• Academy of Mining and Metallurgy, Institute of Computer Science, Al. Mickiewicza 30, 30-059 Kraków, Poland

author

J. Kitowski

• Academy of Mining and Metallurgy, Institute of Computer Science, Al. Mickiewicza 30, 30-059 Kraków, Poland

author

E. Mościńska

• Academy of Mining and Metallurgy, Institute of Computer Science, Al. Mickiewicza 30, 30-059 Kraków, Poland

author

Z. Skotniczny

• Academy of Mining and Metallurgy, Institute of Computer Science, Al. Mickiewicza 30, 30-059 Kraków, Poland

Identifiers

DOI

10.12693/APhysPolA.80.649