Multiscale study of crystal and electronic structure of Al defects in concrete
(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:
https://lup.lub.lu.se/record/9f94e6b2-d564-458f-9650-79b4e216426f
- author
- Abrikosov, Alexei I. LU ; Kovačević, Goran and Veryazov, Valera LU
- organization
- publishing date
- 2018-11-30
- 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 and Monovasilis, Theodore
- volume
- 2040
- article number
- 020007
- publisher
- American Institute of Physics (AIP)
- 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
- 2023-04-09 01:53:15
@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}}, booktitle = {{International Conference of Computational Methods in Sciences and Engineering 2018, ICCMSE 2018}}, editor = {{Simos, Theodore E. and Kalogiratou, Zacharoula and Monovasilis, Theodore}}, isbn = {{9780735417663}}, keywords = {{C-A-S-H; defects; Multiscale approach; ReaxFF}}, language = {{eng}}, month = {{11}}, publisher = {{American Institute of Physics (AIP)}}, title = {{Multiscale study of crystal and electronic structure of Al defects in concrete}}, url = {{http://dx.doi.org/10.1063/1.5079049}}, doi = {{10.1063/1.5079049}}, volume = {{2040}}, year = {{2018}}, }