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pro vyhledávání: '"Çağin, T."'
This note corrects some errors in a previously published paper: Size-dependent piezoelectricity and elasticity in nanostructures due to the flexoelectric effect[PHYSICAL REVIEW B 77, 125424 (2008)]. The comlete published paper is also included in thi
Externí odkaz:
http://arxiv.org/abs/0903.0785
Publikováno v:
Phys. Rev. B 77, 155306 (2008)
The interface chemistry of silicon nanocrystals (NCs) embedded in amorphous oxide matrix is studied through molecular dynamics simulations with the chemical environment described by the reactive force field model. Our results indicate that the Si NC-
Externí odkaz:
http://arxiv.org/abs/0804.2322
Publikováno v:
In Materials Chemistry and Physics 1 February 2018 205:315-324
Autor:
Cuitino, A. M., Stainier, L., Wang, G., Strachan, A., Cagin, T., Goddard III, W. A., Ortiz, M.
In this paper we present a modeling approach to bridge the atomistic with macroscopic scales in crystalline materials. The methodology combines identification and modeling of the controlling unit processes at microscopic level with the direct atomist
Externí odkaz:
http://arxiv.org/abs/cond-mat/0104381
Publikováno v:
In Materials Today: Proceedings 2017 4(7) Part 1:7011-7017
The temperature dependence of thermodynamic and mechanical properties of six fcc transition metals (Ni, Cu, Ag, Au, Pt, Rh) and the alloying behavior of Ag-Au and Cu-Ni are studied using molecular dynamics (MD). The structures are described at elevat
Externí odkaz:
http://arxiv.org/abs/cond-mat/9709114
We utilize the many-body potentials developed by Sutton and Chen(1990) within the context of the tight-binding approach to study the bulk properties of metals and metal alloys in molecular dynamics (MD) simulations. In the simulations of Pt-Rh alloys
Externí odkaz:
http://arxiv.org/abs/cond-mat/9611241
Akademický článek
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Publikováno v:
In Journal of Alloys and Compounds 5 June 2015 633:272-279
Publikováno v:
In Journal of Alloys and Compounds 25 October 2014 611:225-234