Grant/Projek zakończony

Multiscale modelling of multiphase ceramics

Identyfikator grantu: PT00967

Kierownik projektu: Masoud Tahani

Instytut Podstawowych Problemów Techniki PAN w Warszawie


Data otwarcia: 2022-04-12

Data zakończenia: 2024-03-08

Streszczenie projektu

Ceramic composites (CCs) are mixtures of different phases, and their development is often regarded as a milestone in technological progress. They are used in practically all significant industries. Frequently, CCs are exposed to variable dynamic loads, impacts, or high temperatures. The high interest is in composites that are subjected to extreme dynamic loads. In particular, the properties of the interface between phases will be evaluated. Since ceramic polycrystals usually consist of a few phases and some additions, the interface properties become significant. The phases boundaries are not sharp but fuzzy. It happens because the grain surfaces are not ideal due to phenomena at the atomic level, namely diffusion. The diffusion effects will be evaluated using molecular dynamics (MD). Based on the simulations, the equivalent material properties are evaluated. To this end, in this project, we intend to model the interface of two phases at the atomic level and obtain the diffusion of atoms. Also, the effect of temperature, pressure, and amount of porosity on the final mechanical properties of the very thin interface layer will be evaluated.
The interest is focused on the influence of different kinds of imperfections like voids, inclusions, and initial cracks on the large-scale models of the polycrystals. However, the investigation will always be done, given the interface properties.
It is expected to outline general rules that govern the influence of interface properties in the multi-phase composites on their performance.


  1. Tahani M., Postek E., Sadowsi T., Molecular Dynamics Study of Interdiffusion for Cubic and Hexagonal SiC/Al Interfaces, Crystals 13, (2023) 46
  2. Tahani M., Postek E., Motevalizadeh L., Sadowsi T., Effect of Vacancy Defect Content on the Interdiffusion of Cubic and Hexagonal SiC/Al Interfaces: A Molecular Dynamics Study , Molecules 28, (2023) 744

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