Structural evolution of two-dimensional silicates using a “bond-switching” algorithm

Author:

Boscoboinik Alejandro M.1234ORCID,Manzi Sergio J.56789,Pereyra Víctor D.510789,Mas Walter L.11789,Boscoboinik Jorge Anibal1213144ORCID

Affiliation:

1. Department of Chemistry and Biochemistry and Laboratory for Surface Studies

2. University of Wisconsin–Milwaukee

3. Milwaukee

4. USA

5. Departamento de Física

6. Instituto de Física Aplicada (INFAP) – CONICET

7. Universidad Nacional de San Luis

8. San Luis 5700

9. Argentina

10. Instituto de Matemática Aplicada (IMASL) – CONICET

11. Departamento de Matemática

12. Center for Functional Nanomaterials

13. Brookhaven National Laboratory

14. Upton

Abstract

Ring size distribution in silicate bilayers obtained from Monte Carlo simulations using a bond-switching algorithm (compared to experimental data) when a temperature gradient is introduced to mimic a crystalline to vitreous domain boundary.

Funder

Brookhaven National Laboratory

Consejo Nacional de Investigaciones Científicas y Técnicas

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science

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