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Multiscale study of...
Multiscale study of crystal and electronic structure of Al defects in concrete
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- Abrikosov, Alexei I. (author)
- Lund University
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- Kovačević, Goran (author)
- Ruder Boskovic Institute
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- Veryazov, Valera (author)
- Lund University,Lunds universitet,Beräkningskemi,Enheten för fysikalisk och teoretisk kemi,Kemiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Computational Chemistry,Physical and theoretical chemistry,Department of Chemistry,Departments at LTH,Faculty of Engineering, LTH
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Simos, Theodore E. (editor)
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Kalogiratou, Zacharoula (editor)
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Monovasilis, Theodore (editor)
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(creator_code:org_t)
- Author(s), 2018
- 2018
- English.
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In: International Conference of Computational Methods in Sciences and Engineering 2018, ICCMSE 2018. - : Author(s). - 9780735417663 ; 2040
- Related links:
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http://dx.doi.org/10...
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https://lup.lub.lu.s...
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https://doi.org/10.1...
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Abstract
Subject headings
Close
- 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.
Subject headings
- NATURVETENSKAP -- Kemi -- Materialkemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Materials Chemistry (hsv//eng)
Keyword
- C-A-S-H
- defects
- Multiscale approach
- ReaxFF
Publication and Content Type
- kon (subject category)
- ref (subject category)
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