Contents:

  • Mikołaj Bilski A New, Effective Method for Computing the Interaction Potential of Hard Cyclic Multimer Systems   abstract | full text
  • Slawomir Gulkowski Computer Implementation of Mass Transport in Matlab Environment for Modeling Epitaxial Growth Process with Moving Boundary Problem   abstract | full text
  • Slawomir Gulkowski Application of the Savitzky-Golay Method for PV Power Output Data Set   abstract | full text
  • W. Gwizdała and Z. Gburski Molecular Order and Dynamics of 5CB Liquid Crystals in Confined Space — Computer Simulation   abstract | full text
  • George J. Papadopoulos Real time quantum tunneling   abstract | full text
  • Yulia S. Nykyruy and Stepan I. Mudry Variation of Temperature Field Created at Pulsed Laser Irradiation of Amorphous Fe{73.7}Si{15.5}B{7.4}Nb{2.4}Cu{1.0} Alloy   abstract | full text

Abstracts:

hMikołaj Bilski A New, Effective Method for Computing the Interaction Potential of Hard Cyclic Multimer Systems

Studies of efficiency of several methods for calculating the interaction potential of a pair of two-dimensional hard cyclic multimers – molecules formed by hard disks (atoms) placed at the vertices of a regular polygon – are reported in this work. Such hard-body particles, known as hard cyclic multimers, constitute a class of important reference systems in modeling structural and thermodynamic properties of molecular systems. A new method is proposed which can be easily implemented to Monte Carlo simulations of two-dimensional cyclic multimers and which is faster than the fastest method used previously.

 

hSlawomir Gulkowski Computer Implementation of Mass Transport in Matlab Environment for Modeling Epitaxial Growth Process with Moving Boundary Problem

Due to the possibility of producing high quality and low cost silicon substrates the Epitaxial Lateral Overgrowth technology may find its application in the photovoltaic industry. However, a lateral growth process depends on many technological parameters such as the temperature of the system, the cooling rate, the solvent or the geometry of the mask. For this reason finding optimized settings for these factors in experimental research is difficult and time consuming. Numerical analysis of the growth process leads to better understanding of the fundamentals of the growth process. For this reason a computational model of epitaxial growth was proposed. This paper focuses on the accuracy of the numerical solution of the mass transport process during epitaxial growth. The method was implemented in the Matlab environment for the moving boundary application. The results of the calculations are presented.

 

hSlawomir Gulkowski Application of the Savitzky-Golay Method for PV Power Output Data Set

The power output of a PV system changes in time during the day and strongly depends on the location and orientation of the photovoltaic module as well as on seasonal conditions. Clouds occurring during a partly cloudy day are the reason why this data is very irregular and difficult to analyze in terms of obtaining energy. The Savitzky-Golay method was applied for the power output data obtained for sunny, cloudy and partly cloudy days in order to determine the average level of power produced by a PV system at a given location. The total amount of energy was analyzed for each case.

 

hW. Gwizdała and Z. Gburski Molecular Order and Dynamics of 5CB Liquid Crystals in Confined Space — Computer Simulation

We studied the dynamical and structural properties of an important nematic 4n-pentyl-4'-cyanobiphenyl (5CB) mesogen placed near carbon allotropes (graphene, nanotube), using modeling and molecular dynamics simulations (MD). Every investigated nanosystem (a free cluster of 5CB, a 5CB cluster confined in a single-walled carbon nanotube, 5CB mesogens located between two graphene sheets, a 5CB thin layer on a single-walled carbon nanotube, a thin layer of a 5CB molecules near graphene plane) contains a liquid crystal cluster consisting of 5CB molecules (22–98 molecules). We also performed a computer experiment for a 5CB bulk sample (196 5CB mesogens) with periodic boundary conditions. The following observables were calculated for several temperatures: mean square displacement, radial distribution function and second rank order parameter of 5CB clusters. The obtained results from MD simulations were discussed and compared with the experimental data.

 

hGeorge J. Papadopoulos Real time quantum tunneling

The time evolution of the probability and current densities stemming from an initial state of a particle in the form of a wave packet on the left hand side of a square barrier is studied. In particular, the space distribution at a given time of the above densities is given. Furthermore, the evolution in time at the entrance and exit of the barrier is given. The numerical results show repeated reversal in the current density at the barrier entrance, while being unidirectional at the exit. However, the probability entering the barrier over a long time equals the corresponding probability exiting the barrier. Owing to the fact that the wave packet expands on both of its sides, as time goes by, it is possible to have transmission even if the particle's initial momentum points away from the barrier. The effect, in question, becomes evident in a diagram for the transmission coefficient in terms of the particle initial momentum, over a relatively small region.

 

hYulia S. Nykyruy and Stepan I. Mudry Variation of Temperature Field Created at Pulsed Laser Irradiation of Amorphous Fe{73.7}Si{15.5}B{7.4}Nb{2.4}Cu{1.0} Alloy

The temperature in the laser irradiation area of an amorphous iron-based ribbon was calculated. As a result of the calculation a spatial temperature distribution and its time dependence were structured which allowed reproducing the geometric and structural characteristics of exposed areas. Simultaneously, an irradiated amorphous alloy was investigated by scanning electron microscopy which allowed determining the geometric and structural characteristics of these areas experimentally and obtaining their dependencies on the laser pulse parameters. The results of theoretical calculations were compared with the experimental data.

 

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