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Publikováno v:
Chaos, Solitons & Fractals. 40:2550-2556
A stochastic action principle for random dynamics is revisited. Numerical diffusion experiments are carried out to show that the diffusion path probability depends exponentially on the Lagrangian action A = ∫ a b L d t . This result is then used to
Publikováno v:
Computational Materials Science. 43:812-817
All components of the elasticity tensors for OsSi (P213), OsSi2 (Cmca) and Os2Si3 (Pbcn and P-4c2) were computed by means of the stress–strain method in the framework of the density functional theory. The total energies and stress were calculated u
Publikováno v:
Computational Materials Science. 42:156-160
Rare earth fluoroscheelites lattice parameters have been investigated using the Vienna Ab initio Simulation Package within the generalized gradient approximation. Elastic constants were evaluated by stress–strain method as implemented in MedeA inte
Autor:
A. El Kaabouchi, A. Lawani, B. Minisini, F. Tsobnang, A. Le Méhauté, Dmitrii Tayurskii, Laurent Nivanen, J. Le Meur, Q. A. Wang, M. Pezeril
Publikováno v:
SCOPUS00222291-2008-150-34-SID38749125907
Journal of Low Temperature Physics
Journal of Low Temperature Physics, Springer Verlag (Germany), 2008, 150, pp.605-611. ⟨10.1007/s10909-007-9596-2⟩
Journal of Low Temperature Physics
Journal of Low Temperature Physics, Springer Verlag (Germany), 2008, 150, pp.605-611. ⟨10.1007/s10909-007-9596-2⟩
In the Bose-Einstein condensation of interacting atoms or molecules such as 87Rb, 23Na and 7Li, the theoretical understanding of the transition temperature is not always obvious due to the interactions or zero point energy which cannot be exactly tak
Publikováno v:
Journal of Physics: Condensed Matter. 18:2429-2441
An investigation of the pressure induced phase transition from the scheelite phase (I41/a,Z = 4) to the fergusonite-like phase (I 2/a,Z = 4) and to the LaTaO4 phase (P 21/c,Z = 4) of LiYF4 is presented. Employing density functional theory (DFT) withi
Autor:
F. Tsobnang, B. Minisini
Publikováno v:
Composites Part A: Applied Science and Manufacturing. 36:539-544
A molecular dynamics study was performed to analyze the interaction energy between an organomodified clay surface and functionalized polypropylene. A supercell containing montmorillonite with a cation exchange capacity of 140 meq/100 g organomodified
Autor:
B. Minisini, F. Tsobnang
Publikováno v:
Composites Part A: Applied Science and Manufacturing. 36:531-537
Molecular mechanics calculations were performed to characterize organomodified clay. Supercells containing montmorillonite with a cation exchange capacity of 70 and 140 meq/100 g organomodified with three mono-tailed and one di-tailed surfactants wer
Autor:
B. Minisini, F. Tsobnang
Publikováno v:
Applied Surface Science. 242:21-28
Montmorillonite is one of the most commonly used 2:1 phyllosilicates. A characteristic feature of the smectites is a high degree of structural disorder leading to a high dispersity of the cation exchange capacity (CEC). The electrostatic interactions
Publikováno v:
Journal of Physics: Condensed Matter. 12:7243-7254
The aim of this work is the computational study of the electronic and magnetic properties of [FeO4]5- clusters diluted in a cubic host crystal: BaLiF3. Experimental results show that these systems display a bistable magnetic behaviour (intermediate s