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Randall, Clive A.

Publications and source records attributed to Randall, Clive A..

Atomistic level aqueous dissolution dynamics of NASICON-Type Li 1+ x Al x Ti 2– x (PO 4 ) 3 (LATP)

Advancing the atomistic level understanding of aqueous dissolution of multicomponent materials is essential. Here, we combined ReaxFF and experiments to investigate the dissolution at the Li 1+ x Al x Ti 2– x (PO 4 ) 3 -water interface. We demonstrate that surface dissolution is a sequentially dynamic process. The phosphate dissolution destabilizes the NASICON structure, which triggers a titanium-rich secondary phase formation.

36 MATERIALS SCIENCE↗

Comparing hydrothermal sintering and cold sintering process: Mechanisms, microstructure, kinetics and chemistry

In this study, we report the sintering of zinc oxide (ZnO) through the comparison between the hydrothermal sintering (HS) and the cold sintering process (CSP) operating in closed and open conditions, respectively. Sintering was performed at 155 ± 5 °C applying a pressure of 320 MPa, and during different holding times (0 min, 20 min, 40 min and 80 min). Whatever the low sintering process used, ceramics characteristics are almost similar in terms of relative densities and ZnO structure. However, several differences such as the nature of stabilized phases, grain sizes and quantities of residual molecules in the densified pellets, were characterized and explained. The formation of zinc acetate “bridges” was observed ex situ in hydrothermally sintered samples. Lastly, a detailed ReaxFF molecular dynamics simulation was performed to help understand the formation mechanisms of zinc acetate “bridges” and compare the chemical activities between HS and CSP.

36 MATERIALS SCIENCE↗

Water-Mediated Surface Diffusion Mechanism Enables the Cold Sintering Process: A Combined Computational and Experimental Study

The cold sintering process (CSP) densifies ceramics at much lower temperatures than conventional sintering processes. Several ceramics and composite systems have been successfully densified under cold sintering. For the grain growth kinetics of zinc oxide, reduced activation energies are shown, and yet the mechanism behind this growth is unknown. In this work, we investigate these mechanisms in more detail with experiments and ReaxFF molecular dynamics simulations. We investigated the recrystallization of zinc cations under various acidic conditions and found that their adsorption to the surface can be a rate-limiting factor for cold sintering. In conclusion, our studies show that surface hydroxylation in CSP does not inhibit crystallization; in contrast, by creating a surface complex, it creates an orders of magnitude acceleration in surface diffusion, and in turn, accelerates recrystallization.

36 MATERIALS SCIENCE↗