Dynamics of the Chemically Driven Densification of Barium Titanate Using Molten Hydroxides

Autor: Kosuke Tsuji, Adri C. T. van Duin, Sun Hwi Bang, Arnaud Ndayishimiye, Dooman Akbarian, Mert Y. Sengul, Clive A. Randall, Zhongming Fan
Rok vydání: 2021
Předmět:
Zdroj: Nano letters. 21(8)
ISSN: 1530-6992
Popis: Molten hydroxides, often used for crystal growth and nanoparticle synthesis, have recently been applied for the single step densification of several inorganic materials under moderate uniaxial pressures and 1000 °C below their usual sintering temperatures. The latter approach, termed cold sintering process (CSP), is a mechanochemically driven process that enables the densification of inorganic materials through a dissolution-precipitation creep mechanism. In this study, we report the main densification mechanisms of BaTiO3 in a NaOH-KOH eutectic mixture. A chemical insight at the atomistic level, investigated by ReaxFF molecular dynamics simulations, offers plausible ionic complex formation scenarios and reactions at the BaTiO3/molten hydroxide interface, enabling the dissolution-precipitation reactions and the subsequent cold sintering of BaTiO3.
Databáze: OpenAIRE