The melting of a 64 ion microcrystal of KCI was studied by means of a molecular dynamics computer simulation. We used a central pair interaction with an inverse power law repulsion. The thermodynamics, kinetic and structural properties such as melting temperature, latent heat, mean square displacement, diffusion constant, radial distribution function and bond angle distribution are calculated. ...

The heating process of zigzag silicon carbide nanoribbon (SiCNR) is studied via molecular dynamics (MD) simulation. initial model contained 10000 atoms from 50K to 6000K study the structural evolution SiCNR. melting point defined at 4010K, phase transition solid liquid exhibits first-order type. mechanism upon based on radiral distribution functions, coordination number, ring distributions, and...

Методом молекулярной динамики исследовалось плавление нанокластеров титана Ti(n = 3599, 28725, 97045) с различными скоростями их нагрева (от 0,1 до и 10,0 ТК/с). Молекулярно-динамическое моделирование проводили в программе LAMMPS на многопроцессорном компьютере. Использовался многочастичный потенциал межатомного взаимодействия. Кристаллическая структура нанокластера при нагреве переходит жидкую...

Microtubules, the active filaments with tubular shapes, play important roles in a wide range of cellular functions, including structural supports, mitosis, cytokinesis, and vesicular transport, which are essential for the growth and division of eukaryotic cells. Finding properties of microtubules is one of the main concerns of scientists. This work helps to obtain mechanical properties of m...

the determination of gyration radius is a strong research for configuration of a macromolecule. italso reflects molecular compactness shape. in this work, to characterize the behavior of theprotein, we observe quantities such as the radius of gyration and the average energy. we studiedthe changes of these factors as a function of temperature for acetylcholine receptor protein in gasphase with n...

As the speed and payload of Wheeled Mobile Robots (WMRs) increases and the clearances between obstacles and docking error tolerances decreases, methods for reducing tracking errors become increasingly important for a successful application. In this paper techniques and results are presented for improved tracking control of a WMR through the generation and dynamic simulation of paths with and wi...