Modeling the annealing and thermal stability of silver dental amalgam.

Hedayat Karimi, Mohammad Hadi Ghatee, Saeid Davatolhagh

Journal: Journal of molecular modeling 2020;25(11):320

PMID: 31620922

Abstract

Effect of heat treatment on the structure and thermal properties of silver-copper dental amalgam (Ag-Cu/Hg) was investigated by means of Monte Carlo (MC) simulation. Simulated pair correlation functions in the framework of MC algorithm form the basis for a diverse analysis of the amalgam annealed up to 2893 K. As heat treatment increases, structural properties remain essentially unchanged up to 1093 K, beyond which, the properties are deteriorated. Phase separation in the context of homo-coordination and segregation of Ag-Cu alloy is characterized as the annealing of amalgam alloy is proceeded. Thus, the amalgam alloy could also maintain a microstructural phase and a structural strength around this temperature, consistent with the annealing reported experimentally. These findings provide insights into amalgam industrial technology, setting amalgamation process, Hg release in dental clinics, and basic information appreciated in the dentistry industry and partnership in forensic science. Graphical abstract Thermal stability of the homogeneous amalgam (Ag-Cu/Hg) is studied up to 2893 K where a phase separation and structural alteration is noted above 1093 and Hg phase segregates into a domain different from Ag-Cu alloy domain.

Address: Department of Chemistry, Shiraz University, Shiraz, 71946, Iran.; Department of Chemistry, Shiraz University, Shiraz, 71946, Iran. [email protected].; Department of Chemistry, University of Houston, Houston, TX, 77204, USA. [email protected].; Department of Physics, Shiraz University, Shiraz, 71946, Iran.

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