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81.
As an aid towards improving the treatment of exchange and correlation effects in electronic structure calculations, it is
desirable to have a clear picture of the errors introduced by currently popular approximate exchange-correlation functionals.
We have performed ab initio density functional theory and density functional perturbation theory calculations to investigate
the thermal properties of bulk Cu, using both the local density approximation (LDA) and the generalized gradient approximation
(GGA). Thermal effects are treated within the quasiharmonic approximation. We find that the LDA and GGA errors for anharmonic
quantities are an order of magnitude smaller than for harmonic quantities; we argue that this might be a general feature.
We also obtain much closer agreement with experiment than earlier, more approximate calculations. 相似文献
82.
Effect of doping of carbon nanotubes by magnetic transition metal atoms has been considered in this paper. In the case of
semiconducting tubes, it was found that the system has zero magnetization, whereas in metallic tubes the valence electrons
of the tube screen the magnetization of the dopants: the coupling to the tube is usually antiferromagnetic (except for Cr). 相似文献
83.
Quality of service has become today a major concern for operators of mobile communication networks. The massive development of networks and strong competition between operators has lead to the necessary and daily follow-up of network quality of service, a key factor for its subscriber’s fidelity. This article aims at presenting the optimization methodology and proposes its illustration with a case of RNO (Radio Network Optimisation) software usage, one of the Alcatel optimization toolchain component. After a short presentation of cellular network, the optimization basic principles are described. RNO software and its main functionnalities are then detailed before a last part dedicated to a real case of optimization done with RNO software. 相似文献
84.
Responds to Gauthier (see record 2004-17185-003) who commented on the two articles by Koerner et al (see record 2004-17185-001) and by Roberge et al (see record 2004-17185-002. The purpose of this response is to discuss the issue of limited availability of mental health services for anxiety disorders in Canada. From a public health perspective, the authors emphasize the importance of gathering Canadian empirical data on the organization of mental health services for anxiety disorders. Specifically more research is needed on care requirements, and the financial and structural barriers that restrict access to mental health services at the regional, provincial and national levels. The authors also discuss the role of psychologists in improving mental health care in Canada. Cost-effectiveness studies conducted in interdisciplinary practice environments could demonstrate the value added by psychology in the organization of mental health care for anxiety disorders. (PsycINFO Database Record (c) 2010 APA, all rights reserved) 相似文献
85.
D. Vignolles D. Smirnov G. Rikken B. Raquet H. Rakoto C. Proust M. Nardone J. Léotin F. Lecouturier M. Goiran O. Drachenko J. M. Broto L. Brossard A. Audouard 《Journal of Low Temperature Physics》2003,133(1-2):97-120
An overview over past and present activities and future developments at the Toulouse pulsed magnetic field facility is given, both as far as technical developments of the infrastructure, as well as low temperature physics performed at the LNCMP are concerned. 相似文献
86.
Désiré Lara; Veissier Isabelle; Després Gérard; Boissy Alain 《Canadian Metallurgical Quarterly》2004,118(4):363
Appraisal theories provide a framework that gives insight into emotions and could allow comparisons across species. According to these theories, events are first evaluated on their suddenness, novelty, and unpredictability. The authors examined the ability of lambs (Ovis aries) to evaluate an event according to these 3 criteria through 3 tests. The lambs responded to suddenness with a startle response coupled with an increase in heart rate and to novelty with an orientation response coupled with an increase of vagal activity. There was no clear evidence that lambs can detect the predictability of an event. Those results support the usefulness of appraisal theories to assess emotion in animals. (PsycINFO Database Record (c) 2010 APA, all rights reserved) 相似文献
87.
Dong-Soo Yoon Jae Sung Roh Sung-Man Lee Hong Koo Baik 《Journal of Electronic Materials》2003,32(8):890-898
The effect of a thin RuOx layer formed on the Ru/TiN/doped poly-Si/Si stack structure was compared with that on the RuOx/TiN/doped poly-Si/Si stack structure over the post-deposition annealing temperature ranges of 450–600°C. The Ru/TiN/poly-Si/Si
contact system exhibited linear behavior at forward bias with a small increase in the total resistance up to 600°C. The RuOx/TiN/poly-Si/Si contact system exhibited nonlinear characteristics under forward bias at 450°C, which is attributed to no
formation of a thin RuOx layer at the RuOx surface and porous-amorphous microstructure. In the former case, the addition of oxygen at the surface layer of the Ru film
by pre-annealing leads to the formation of a thin RuOx layer and chemically strong Ru-O bonds. This results from the retardation of oxygen diffusion caused by the discontinuity
of diffusion paths. In particular, the RuOx layer in a nonstoichiometric state is changed to the RuO2-crystalline phase in a stoichiometric state after post-deposition annealing; this phase can act as an oxygen-capture layer.
Therefore, it appears that the electrical properties of the Ru/TiN/poly-Si/Si contact system are better than those of the
RuOx/TiN/poly-Si/Si contact system. 相似文献
88.
89.
I Ferrenq L Tranqui B Vailhé PY Gumery P Tracqui 《Canadian Metallurgical Quarterly》1997,45(3-4):267-293
Traction forces developed by most cell types play a significant role in the spatial organisation of biological tissues. However, due to the complexity of cell-extracellular matrix interactions, these forces are quantitatively difficult to estimate without explicitly considering cell properties and extracellular mechanical matrix responses. Recent experimental devices elaborated for measuring cell traction on extracellular matrix use cell deposits on a piece of gel placed between one fixed and one moving holder. We formulate here a mathematical model describing the dynamic behaviour of the cell-gel medium in such devices. This model is based on a mechanical force balance quantification of the gel visco-elastic response to the traction forces exerted by the diffusing cells. Thus, we theoretically analyzed and simulated the displacement of the free moving boundary of the system under various conditions for cells and gel concentrations. This model is then used as the theoretical basis of an experimental device where endothelial cells are seeded on a rectangular biogel of fibrin cast between two floating holders, one fixed and the other linked to a force sensor. From a comparison of displacement of the gel moving boundary simulated by the model and the experimental data recorded from the moving holder displacement, the magnitude of the traction forces exerted by the endothelial cell on the fibrin gel was estimated for different experimental situations. Different analytical expressions for the cell traction term are proposed and the corresponding force quantifications are compared to the traction force measurements reported for various kind of cells with the use of similar or different experimental devices. 相似文献
90.