Search: onr:"swepub:oai:DiVA.org:uu-28407" >
A molecular dynamic...
A molecular dynamics study of MgO(111) slabs
-
- Baudin, M (author)
- Uppsala universitet
-
- Wojcik, M (author)
- Uppsala universitet
-
- Hermansson, K (author)
- Uppsala universitet
-
(creator_code:org_t)
- ELSEVIER SCIENCE BV, 1997
- 1997
- English.
-
In: SURFACE SCIENCE. - : ELSEVIER SCIENCE BV. - 0039-6028. ; 375:2-3, s. 374-384
- Related links:
-
https://urn.kb.se/re...
Abstract
Subject headings
Close
- Constant stress - constant temperature molecular dynamics simulations are reported for 30 Angstrom thick crystalline MgO (111) slabs with 2-D periodicity in the temperature range 10-1100 K. The 10 K run was 3.75 ps, the 300 K run was 41.25 ps while the ot
Keyword
- low index single crystal surfaces; magnesium oxide; molecular dynamics; surface relaxation and reconstruction; SURFACE ELECTRONIC-STRUCTURE; MAGNESIUM-OXIDE; IONIC-CRYSTAL; 111 SURFACES; MGO; CHEMISORPTION; POTENTIALS; HYDROGEN; WATER; H-2
Publication and Content Type
- vet (subject category)
- art (subject category)
Find in a library
To the university's database