Coordination number distribution

Paper "Investigating a quickly cooling process of 2D SiC by molecular dynamics simulation" presents the study results of quickly cooling 2D silicon carbide by MD simulation with a sample of 8100 atoms. Silicon carbide 2D is cooled from 5000K to 300K with a velocity of 1013 K/s. Investigation of energy dependence on temperature shows a jump in the average total energy of molten 2D Silicon carbide at the temperature T = 3000K.

13p lieuyeuyeu18 23-12-2022 5 3   Download

This work presents the effect of pressure on the local microstructure of amorphous Germania (GeO2). The Molecular Dynamics simulation was performed on systems at 900 K and high pressure up to 70 GPa. The structural properties have been analyzed through the pair correlation function, coordination number distribution, and structure factors.

7p meyerowitz 25-12-2021 20 0   Download

The molecular dynamic simulation has been conducted to study the behavior of void and void clusters in liquid silica under temperature. We focused on two kinds of void aggregation: void cluster and void tube. The evolution of structural changes of silica under temperature has been analyzed through coordination number, angle distribution and void characteristics. It was found that there is a large void tube composed of 91% O-void spread over simulation shell. The temperature dependence of different kinds of void seems to be very week in comparison with pressure.

5p thienlangso 15-12-2021 11 0   Download

Oganov potentials and period boundary condition to perform molecular dynamics simulation of amorphous and liquid Mg2SiO4 systems under pressures 0 GPa and 40 GPa. We clarify structure of amorphous Mg2SiO4 at 0 and 40 GPa and compared with the one of Mg2SiO4 at liquid state. Especially, the origin of sub-peaks in radial distribution function of O-O, Si-Si and Mg-Mg pairs is explained clearly. The change of radial distribution functions, coordination number and the number of all types of bonds including the corner-, edge- and face-sharing bonds is also discussed in detail in this paper.

9p nguaconbaynhay11 07-04-2021 11 1   Download

In this work, we use molecular dynamic (MD) simulation to study the structure transition and crystallization of amorphous silica (SiO2) under compression. The structural evolution of amorphous SiO2 is explained through radial distribution function, coordination number distribution, bond angle distribution and visualization.

10p tamynhan6 14-09-2020 10 2   Download

The Charged Hard Sphere (CHS) reference system is applied to study the structural analysis of liquid 3d transition metals. Here we report the structure factor S(q), pair distribution function g (r), interatomic distance r1 of nearest neighbour atoms and coordination number n1 for liquid 3d transition metals viz: Ti, V, Cr, Mn, Fe, Co, Ni and Cu. To describe electron–ion interaction our own model potential is employed alongwith the local field correction due to Sarkar et al (SS). The present results of S(q) and g (r) are in good agreement with experimental findings.

8p 12120609 01-06-2020 18 1   Download

The paper presents a novel technique to detect Denial of Service (DoS) attacks applied by misbehaving nodes in wireless networks with the presence of hidden nodes employing the widely used IEEE 802.11 Distributed Coordination Function (DCF) protocols described in the IEEE standard [1]. Attacker nodes alter the IEEE 802.11 DCF firmware to illicitly capture the channel via elevating the probability of the average number of packets transmitted successfully using up the bandwidth share of the innocent nodes that follow the protocol standards.

8p kethamoi1 17-11-2019 18 2   Download

Structural properties of Na2O-9SiO2 liquid under compression are studied by computer simulation. The local structure characteristics as well as topology of SiOx are investigated via pair radial distribution function, coordination number, Si-O bond distance and O-Si-O bond angle distribution.

8p viedison2711 03-09-2019 10 0   Download

The U.S. food and agricultural sector is undergoing rapid change in production, distribution, and consumption of food and fiber, and in technology. There have been dramatic increases in production and marketing coordination, market contracting, concentration of agricultural output by fewer and fewer operations, and consolidation of agricultural operations. These increases are manifested in significant long- and short-term changes in farm size, number, distribution, and location.

158p mnemosyne75 02-02-2013 60 7   Download

The large size, heterogeneity, and distributed nature of networks give administrators a large number of degrees of freedom to consider when configuration changes need to be made. The proper functioning of the network as a whole is a result of the coordinated configuration of multiple network elements whose interaction gives rise to the desired behaviors. The number of options to consider and the complexity of the interactions and interdependencies between various protocols and applications make it a very hard task to reason about configuration changes.

8p khongmuonnghe 04-01-2013 43 3   Download