https://doi.org/10.1140/epjb/s10051-026-01150-1
Research - Condensed Matter
MD simulation of lead-silicate glass: prospective from Buckingham and BMH potentials
1
School of Nano Science and Technology, Indian Institute of Technology, 721302, Kharagpur, India
2
Department of Physics, University of California, 92521, Riverside, CA, USA
a
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Received:
22
January
2026
Accepted:
26
February
2026
Published online:
28
March
2026
Abstract
Lead oxide (PbO) as special materials are characterized by high refractive indices, nonlinear susceptibilities, and large infrared transmission windows, and hence, have found widespread applicability in optical devices used in electronics and optoelectronics. Lead glasses have low melting point, minor crystallization tendency upon thermal activation, and are a good radiation shielding glasses having high attenuation coefficient for gamma rays as well because heavy-metal oxides (HMO) like PbO increase the density of the glass and have a high molecular weight. The addition of lead oxide in silicate glass compositions has the potential to improve the shielding effectiveness significantly. It is a challenge therefore to investigate how these glasses can be tailored for optimal gamma ray shielding. Therefore, in order to search for a better shielding material, lead silicate glass has been simulated using the molecular dynamics simulation (melt → quench → equilibration → production) both with Buckingham and Born–Mayer–Huggins (BMH) potential with an aim to validate the use of both potentials as both of them are interchangeable albeit a change of variable, though the parameter set is different. Further, we elucidate the structure and mechanical properties by making use of the both potentials and make a careful comparison. Finally, the use of this simulated glass in nuclear radiation shielding has been commented on.
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© The Author(s), under exclusive licence to EDP Sciences, SIF and Springer-Verlag GmbH Germany, part of Springer Nature 2026
Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
