@article{be410158efc840a3b792ef79f69127f6,
title = "Adsorption of Cs+ ion into diand tri-octahedral vermiculites as demonstrated by classical molecular dynamics simulation",
abstract = "The intrinsic adsorption of a Cs+ ion into diand tri-octahedral vermiculites without the presence of K+ ions was demonstrated by a classical molecular dynamics (MD) simulation. The calculation conditions included Coulomb and BornMayerHuggins potentials, assisted by LennardJones potentials under a constant pressure ensemble and valences from a force field for clays (CLAYFF) mainly as well as conventional valences. A monoclinic di-octahedral vermiculite crystal with a 6",
keywords = "Cesium ion, Defects, Molecular dynamics simulation, Vermiculite",
author = "Akira Takeuchi",
note = "Funding Information: The author thanks Dr. Hiromu Arai and Prof. Akira Hasegawa from REER (Research Center for Remediation Engineering of Living Environments Contaminated with Radioisotopes), Graduate School of Engineering, Tohoku University, and Dr. Keizo Ishii, professor emeritus of Tohoku University, for their fruitful discussion on the experimentally observed features of vermiculite. I specifically thank Dr. Keizo Ishii, professor emeritus of Tohoku University, who advised the author to include the contents of the number of Cs+ ions from an experimentally observed specific activity. This work was partially supported by JSPS KAKENHI Grant Number JP17H03375. Publisher Copyright: {\textcopyright} 2021 The Japan Institute of Metals and Materials.",
year = "2021",
month = apr,
day = "1",
doi = "10.2320/matertrans.MT-M2020274",
language = "English",
volume = "62",
pages = "469--478",
journal = "Materials Transactions",
issn = "1345-9678",
publisher = "Japan Institute of Metals (JIM)",
number = "4",
}