Simulation of the Structure 58SiO2– 38CaO– 4P2O5 Bioactive Glass Nanoparticles at Atomic Scale by Molecular Dynamics

Q: How can I download an article?

To download an article from SID, first log in to the site, search for the article title, and click on the 'Download Article' option.

Q: How can I download an ISI article?

To download an ISI article on SID, enter the keyword or article title in the search bar, view the relevant results, click on the desired article, and select the 'Download Article' option.

Q: How can I access the SID database?

To access the SID database, visit SID.ir, create an account, and log in to access scientific resources.

Q: Is downloading articles from SID free?

Some articles on SID are available for free, while others require payment. Details are specified on the article's page.

Ahmadi Seyed Mohammad; BEHNAMGHADER ALIASGHAR

مرکز اطلاعات علمی Scientific Information Database (SID) - Trusted Source for Research and Academic Resources

Journal Paper

Paper Information

Journal: JOURNAL OF ADVANCED MATERIALS AND TECHNOLOGIES Year:2018 | Volume:7 | Issue:2 Page(s): 41-48

Download Full-Text

Persian Verion

View:

586

Download:

Cites:

Information Journal Paper

Title

Simulation of the Structure 58SiO2– 38CaO– 4P2O5 Bioactive Glass Nanoparticles at Atomic Scale by Molecular Dynamics

Author(s)

Ahmadi Seyed Mohammad | BEHNAMGHADER ALIASGHAR | Issue Writer Certificate

Keywords

Bioactive glassQ1

Molecular dynamics simulationQ2

Radial distribution functionQ1

Molecular structureQ3

Abstract

Bioactive glasses are widely employed in repair and treatment of bone defects and also as an appropriate replacement for the ossicles in middle ear owing to their bonding ability to hard and soft tissues. In this research, the molecular dynamics package (GROMACS) was used to study the structure of Bioactive glass synthesized by sol-gel method. To create related hydroxyl groups, the Bioactive glass system was modeled. Then, a thermal cycle at temperature of 298-923 K with a constant rate was applied to the studied system and several parameters such as the internal structure, penetration coefficient, density and molecular weight, number of hydrogen bonding, bond length and bond angles were evaluated. Finally, the Radial distribution functions were analyzed to study the structure of the Bioactive glass, and the effect of the synthesis method on the Bioactive glasses was also determined. The evaluation of the molecules density and simulation results of the bond angles and lengths indicated that materials are tend to be placed in the optimal condition and sustainable system. Due to the higher molecular weight of P2O5 and its lesser movement throughout the box, SiO2 and CaO species played more important role in the uniform distribution of materials through the system. By determining the diffusion coefficient and molecules distribution via Radial distribution function method in the simulation box, it was concluded that the system components had a fairly uniform distribution and there was an acceptable and logical distance between atoms in almost every molecule.

Cites

No record.

References

No record.

Cite

APA: Copy

Ahmadi, Seyed Mohammad, & BEHNAMGHADER, ALIASGHAR. (2018). Simulation of the Structure 58SiO2– 38CaO– 4P2O5 Bioactive Glass Nanoparticles at Atomic Scale by Molecular Dynamics. JOURNAL OF ADVANCED MATERIALS AND TECHNOLOGIES, 7(2 ), 41-48. SID. https://sid.ir/paper/252363/en

Vancouver: Copy

Ahmadi Seyed Mohammad, BEHNAMGHADER ALIASGHAR. Simulation of the Structure 58SiO2– 38CaO– 4P2O5 Bioactive Glass Nanoparticles at Atomic Scale by Molecular Dynamics. JOURNAL OF ADVANCED MATERIALS AND TECHNOLOGIES[Internet]. 2018;7(2 ):41-48. Available from: https://sid.ir/paper/252363/en

IEEE: Copy

Seyed Mohammad Ahmadi, and ALIASGHAR BEHNAMGHADER, “Simulation of the Structure 58SiO2– 38CaO– 4P2O5 Bioactive Glass Nanoparticles at Atomic Scale by Molecular Dynamics,” JOURNAL OF ADVANCED MATERIALS AND TECHNOLOGIES, vol. 7, no. 2 , pp. 41–48, 2018, [Online]. Available: https://sid.ir/paper/252363/en

Related Journal Papers