ePubs
The open archive for STFC research publications
Home
About ePubs
Content Policies
News
Help
Privacy/Cookies
Suggest an Enhancement
Contact ePubs
Full Record Details
Persistent URL
http://purl.org/net/epubs/work/52073
Record Status
Checked
Record Id
52073
Title
Recent advances in large-scale atomistic and coarse-grained molecular dynamics simulation of clay minerals
Contributors
JL Suter (UCL) (Pr.Au.)
,
RL Anderson (Durham U.)
,
HC Greenwell (Durham U.)
,
PV Coveney (UCL)
Abstract
We review the recent advances in large-scale and coarse-grained molecular dynamics applied to clay minerals. Recent advances in local and distributed high performance computational resources together with the development of efficient parallelized algorithms has enabled the simulation of increasingly realistic large-scale models of clay mineral systems. Using this improved technology, it is becoming possible to simulate realistic clay platelet sizes at an atomistic level. This has considerably extended the spatial dimensions of microscopic simulation into a domain normally encountered in mesoscopic simulation. The simulation of large-scale model systems is important to further study complex phenomena, such as the structural and mechanical properties of disordered layered materials such as clays. In order to achieve even larger length and longer time-scales coarse-grained methods are increasingly employed, capturing phenomena such as composite failure modes and intercalation.
Organisation
Keywords
Materials
,
Nanocomposites
,
Mechanical Properties
Funding Information
Related Research Object(s):
Licence Information:
Language
English (EN)
Type
Details
URI(s)
Local file(s)
Year
Journal Article
J Mater Chem
19 (2009): 2482-2493.
doi:10.1039/b820445d
2009
Showing record 1 of 1
Recent Additions
Browse Organisations
Browse Journals/Series
Login to add & manage publications and access information for OA publishing
Username:
Password:
Useful Links
Chadwick & RAL Libraries
SHERPA FACT
SHERPA RoMEO
SHERPA JULIET
Journal Checker Tool
Google Scholar