skip to main content

DOE PAGESDOE PAGES

This content will become publicly available on October 11, 2019

Title: Structure and dynamics of water on the forsterite surface

A combination of QENS experiments and MD simulations quantifies the structure and dynamics of water on the olivine surface.
Authors:
ORCiD logo [1] ; ORCiD logo [1] ; ORCiD logo [2] ; ORCiD logo [2] ;  [3] ;  [4] ;  [1]
  1. School of Earth Sciences, The Ohio State University, Columbus, USA
  2. Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, USA
  3. Neutron Scattering Science Division, Oak Ridge National Laboratory, Oak Ridge, USA
  4. Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, USA
Publication Date:
Grant/Contract Number:
DESC0006878
Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics Journal Volume: 20 Journal Issue: 44; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry (RSC)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United Kingdom
Language:
English
OSTI Identifier:
1480360

Liu, Tingting, Gautam, Siddharth, Wang, Hsiu-Wen, Anovitz, Lawrence M., Mamontov, Eugene, Allard, Lawrence F., and Cole, David R.. Structure and dynamics of water on the forsterite surface. United Kingdom: N. p., Web. doi:10.1039/C8CP05075A.
Liu, Tingting, Gautam, Siddharth, Wang, Hsiu-Wen, Anovitz, Lawrence M., Mamontov, Eugene, Allard, Lawrence F., & Cole, David R.. Structure and dynamics of water on the forsterite surface. United Kingdom. doi:10.1039/C8CP05075A.
Liu, Tingting, Gautam, Siddharth, Wang, Hsiu-Wen, Anovitz, Lawrence M., Mamontov, Eugene, Allard, Lawrence F., and Cole, David R.. 2018. "Structure and dynamics of water on the forsterite surface". United Kingdom. doi:10.1039/C8CP05075A.
@article{osti_1480360,
title = {Structure and dynamics of water on the forsterite surface},
author = {Liu, Tingting and Gautam, Siddharth and Wang, Hsiu-Wen and Anovitz, Lawrence M. and Mamontov, Eugene and Allard, Lawrence F. and Cole, David R.},
abstractNote = {A combination of QENS experiments and MD simulations quantifies the structure and dynamics of water on the olivine surface.},
doi = {10.1039/C8CP05075A},
journal = {Physical Chemistry Chemical Physics},
number = 44,
volume = 20,
place = {United Kingdom},
year = {2018},
month = {11}
}

Works referenced in this record:

DL_POLY_3: new dimensions in molecular dynamics simulations via massive parallelism
journal, January 2006
  • Todorov, Ilian T.; Smith, William; Trachenko, Kostya
  • Journal of Materials Chemistry, Vol. 16, Issue 20, p. 1911-1918
  • DOI: 10.1039/b517931a