| Investigation of noise effect on heat capacity of Cu nanoparticles |
| Paper ID : 1170-UFGNSM-FULL |
| Authors: |
|
fariba ahmadi *1, houshang araghi2 1424 Hafez Ave, Tehran, Iran, 15875-4413 2Amirkabir university of technology |
| Abstract: |
| In this article, we aim to analyze the role of noise on heat capacity of copper nanoparticles. The molecular dynamic (MD) modeling procedure presented and implemented to calculate heat capacity. The MD is a powerful computational technique that simulate the real behavior of materials by solving the differential equation of motion for a system of particles. It can predict the physical properties of materials by assuming an interacting potential between particles. The inter-atomic interaction between particles is modeled by pair-wise Lennard-Jones (LJ) potential. Differential equations of motion are solved using velocity verlet algorithm. The heat capacity is calculated as a function of temperature in two approaches. In first approach we follow the deterministic method and don’t consider noise effect. In second approach we follow the stochastic method and take into account the noise effect in differential equations of motion. The noise is modeled by a normal distribution function. The results show that the role of noise is considerable and create fluctuations on heat capacity curve. As we will show in the results section of paper, these effects are significant and impressive. We elaborate on similarities between noisy simulations and deterministic simulations, and argue that the time averaged stochastic solution matches with an accuracy of 3.98889×10-5 with a well-defined stationary solution for the system. |
| Keywords: |
| noise, heat capacity, nanoparticles, molecular dynamic, stochastic, deterministic |
| Status : Paper Accepted (Poster Presentation) |
