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Multiscale study of crystal and electronic structure of Al defects in concrete

Abrikosov, Alexei I.; Kovačević, Goran and Veryazov, Valera LU (2018) International Conference of Computational Methods in Sciences and Engineering 2018, ICCMSE 2018 2040.
Abstract

Possible crystal structures of aluminium defects in concrete materials are tested with reactive force filed ReaxFF. The ongoing project includes further refinement of the structures by semiempirical and ab initio methods.

Please use this url to cite or link to this publication:
author
organization
publishing date
type
Chapter in Book/Report/Conference proceeding
publication status
published
subject
keywords
C-A-S-H, defects, Multiscale approach, ReaxFF
host publication
International Conference of Computational Methods in Sciences and Engineering 2018, ICCMSE 2018
editor
Simos, Theodore E.; Kalogiratou, Zacharoula; Monovasilis, Theodore; Simos, Theodore E.; Simos, Theodore E.; ; ; ; and
volume
2040
publisher
American Institute of Physics Inc.
conference name
International Conference of Computational Methods in Sciences and Engineering 2018, ICCMSE 2018
conference location
Thessaloniki, Greece
conference dates
2018-03-14 - 2018-03-18
external identifiers
  • scopus:85058665987
ISBN
9780735417663
DOI
10.1063/1.5079049
language
English
LU publication?
yes
id
9f94e6b2-d564-458f-9650-79b4e216426f
date added to LUP
2019-01-04 12:31:14
date last changed
2019-02-20 11:41:42
@inproceedings{9f94e6b2-d564-458f-9650-79b4e216426f,
  abstract     = {<p>Possible crystal structures of aluminium defects in concrete materials are tested with reactive force filed ReaxFF. The ongoing project includes further refinement of the structures by semiempirical and ab initio methods.</p>},
  author       = {Abrikosov, Alexei I. and Kovačević, Goran and Veryazov, Valera},
  editor       = {Simos, Theodore E. and Kalogiratou, Zacharoula and Monovasilis, Theodore and Simos, Theodore E. and Simos, Theodore E.},
  isbn         = {9780735417663},
  keyword      = {C-A-S-H,defects,Multiscale approach,ReaxFF},
  language     = {eng},
  location     = {Thessaloniki, Greece},
  month        = {11},
  publisher    = {American Institute of Physics Inc.},
  title        = {Multiscale study of crystal and electronic structure of Al defects in concrete},
  url          = {http://dx.doi.org/10.1063/1.5079049},
  volume       = {2040},
  year         = {2018},
}