Nose Temperature and Anticorrelation between Recrystallization Kinetics and Molecular Relaxation Dynamics in Amorphous Morniflumate at High Pressure

Molecular dynamics at constant temperature and pressure.

approved: enri J.F. Jansen Molecular dynamics is a technique in which the trajectories of a group of particles are calculated as a function of time by integrating the equations of motion. In this thesis we study the use of molecular dynamics for atoms in a crystal. A model is introduced which describes interactions of a physical system with an external heat reservoir in molecular dynamics simul...

the relationship between academic self-concept and academic achievement in english and general subjects of the students of high school

according to research, academic self-concept and academic achievement are mutually interdependent. in the present study, the aim was to determine the relationship between the academic self-concept and the academic achievement of students in english as a foreign language and general subjects. the participants were 320 students studying in 4th grade of high school in three cities of noor, nowshah...

Molecular carbon dioxide at high pressure and high temperature

Molecular dynamics computer simulation of amorphous silica under high pressure

The structural and dynamic properties of silica melts under high pressure are studied using molecular dynamics (MD) computer simulation. The interactions between the ions are modeled by a pairwise-additive potential, the so-called CHIK potential, that has been recently proposed by Carré et al. The experimental equation of state is well-reproduced by the CHIK model. With increasing pressure (den...

Thermal conductivity of solid argon at high pressure and high temperature: a molecular dynamics study.

The thermal conductivity of solid argon at high-pressure (up to 50 GPa) and high-temperature (up to 2000 K) has been calculated by equilibrium molecular dynamics simulations using the Green-Kubo formalism and an exponential-6 interatomic potential. A simple empirical expression is given for its pressure and temperature dependence. The results are compared with predictions based on kinetic theor...