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Title: Molecular dynamics simulations of cesium adsorption on illite nanoparticles

Authors:
; ; ; ; ;
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1397784
Grant/Contract Number:
AC02-05CH11231
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Journal of Colloid and Interface Science
Additional Journal Information:
Journal Volume: 490; Journal Issue: C; Related Information: CHORUS Timestamp: 2018-02-01 23:04:58; Journal ID: ISSN 0021-9797
Publisher:
Elsevier
Country of Publication:
United States
Language:
English

Citation Formats

Lammers, Laura N., Bourg, Ian C., Okumura, Masahiko, Kolluri, Kedarnath, Sposito, Garrison, and Machida, Masahiko. Molecular dynamics simulations of cesium adsorption on illite nanoparticles. United States: N. p., 2017. Web. doi:10.1016/j.jcis.2016.11.084.
Lammers, Laura N., Bourg, Ian C., Okumura, Masahiko, Kolluri, Kedarnath, Sposito, Garrison, & Machida, Masahiko. Molecular dynamics simulations of cesium adsorption on illite nanoparticles. United States. doi:10.1016/j.jcis.2016.11.084.
Lammers, Laura N., Bourg, Ian C., Okumura, Masahiko, Kolluri, Kedarnath, Sposito, Garrison, and Machida, Masahiko. Wed . "Molecular dynamics simulations of cesium adsorption on illite nanoparticles". United States. doi:10.1016/j.jcis.2016.11.084.
@article{osti_1397784,
title = {Molecular dynamics simulations of cesium adsorption on illite nanoparticles},
author = {Lammers, Laura N. and Bourg, Ian C. and Okumura, Masahiko and Kolluri, Kedarnath and Sposito, Garrison and Machida, Masahiko},
abstractNote = {},
doi = {10.1016/j.jcis.2016.11.084},
journal = {Journal of Colloid and Interface Science},
number = C,
volume = 490,
place = {United States},
year = {Wed Mar 01 00:00:00 EST 2017},
month = {Wed Mar 01 00:00:00 EST 2017}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1016/j.jcis.2016.11.084

Citation Metrics:
Cited by: 8works
Citation information provided by
Web of Science

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  • No abstract prepared.
  • The research described in this product was performed in part in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. Molecular dynamics simulations at 300 K in vacuum were used to study nanoparticle motion and structural changes during aggregation and coarsening of 3 nm sphalerite (ZnS) particles and atomic diffusion during the subsequent phase transformation. Interaction forces between atoms in different nanoparticles can induce translational and rotational movements of the nanoparticles, driving them to find appropriate locations and orientations formore » aggregation. Following aggregation, the coarsened particle adopts a near-amorphous structure that transforms rapidly to wurtzite. Atomic diffusion is faster on the surface than in the bulk. Transient episodes of very fast atomic diffusion occur locally on the surface. Diffusion plays significant roles in nanoparticle structural change, aggregation, coarsening, and surface nucleation.« less
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