Untersuchung von Kaffee und Kaffee-Ersatzstoffen

Ohne Zusammenfassung     

Mechanical deformation of nanoscale metal rods: when size and shape matter

Face centered cubic metals deform mainly by propagating partial dislocations generating planar fault ribbons. How do metals deform if the size is smaller than the fault ribbons? We studied the elongation of Au and Pt nanorods by in?situ electron microscopy and ab?initio calculations. Planar fault activation barriers are so low that, for each temperature, a minimal rod size is required to become active for releasing elastic energy. Surface effects dominate deformation energetics; system size and shape determine the preferred fault gliding directions which induce different tensile and compressive behavior.     

Quaternionic Kähler and Spin(7) metrics arising from quaternionic contact Einstein structures

We construct left-invariant quaternionic contact (qc) structures on Lie groups with zero and non-zero torsion and with non-vanishing quaternionic contact conformal curvature tensor, thus showing the existence of non-flat quaternionic contact manifolds. We prove that the product of the real line with a seven-dimensional manifold, equipped with a certain qc structure, has a quaternionic Kähler metric as well as a metric with holonomy contained in Spin(7). As a consequence, we determine explicit quaternionic Kähler metrics and Spin(7)-holonomy metrics, which seem to be new. Moreover, we give explicit non-compact eight dimensional almost quaternion hermitian manifolds that are not quaternionic Kähler with either a closed fundamental four form or fundamental two forms defining a differential ideal.     

Pseudo-Kähler metrics on six-dimensional nilpotent Lie algebras

It is well known that any symplectic manifold (M,Ω) has an almost complex structure J which is compatible with Ω. In this paper, we deal with the existence of compatible pairs (J,Ω) on nilpotent Lie algebras of dimension ≤6, J being an integrable almost complex structure. We prove that if such a pair exists, J must satisfy some extra conditions, namely J must be nilpotent in the sense of [Trans. Am. Math. Soc. 352 (2000) 5405]. Associated to any such a compatible pair, there is a pseudo-Kähler metric g which cannot be positive definite unless be abelian. All these metrics are Ricci flat, although many of them are nonflat, and we study the behaviour of its curvature tensor under deformation.     

Influence of Cross‐Linking Density on the Glass Transition and Structure of Chemically Cross‐Linked PVA: A Molecular Dynamics Study

Mechanical properties and glass transitions of cross‐linked polymer networks depend strongly on both the network topology and cross‐linking density. A model is developed using a dynamic cross‐linking approach based on a cutoff distance criterion followed by a high‐temperature annealing procedure. The analysis focused on on the influence of cross‐linking degree on chain packing and hydrogen‐bond structure and on the roles played by various energy components in the glass transition process. T_g was calculated using two different methods; (i) from the intersection of lines drawn through points in a plot of specific volume versus temperature and (ii) from plots of different molecular energy components as a function of temperature.

     

Synthesis, 5-hydroxytryptamine1A receptor affinity and docking studies of 3-[3-(4-aryl-1-piperazinyl)-propyl]-1H-indole derivatives

A series of 3-[3-(4-aryl-1-piperazinyl)-propyl]-1H-indole derivatives (12a-h) was synthesized and evaluated for binding affinity at the human 5-hydroxytryptamine(1A) receptor (5-HT(1A)R) compounds (12b) and (12h) showed the highest 5-HT(1A) receptor affinity (IC(50)=15 nM). Molecular docking studies with all the compounds in a homology model of 5-HT(1A) showed that the main interaction anchoring the ligand in the receptor was a charge-reinforced bond between the protonated nitrogen atom (N-4) of the piperazine ring and Aspartate(3.32).     

Structural and electronic properties of gold nanowires

We have used high resolution transmission electron microscopy to determine the structure of gold nanowires generated by mechanical stretching. Just before rupture, the contacts adopt only three possible atomic configurations, whose occurrence probabilities and quantized conductance were subsequently estimated. These predictions have shown a remarkable agreement with conductance measurements from a break junction operating in ultra-high-vacuum, corroborating the derived correlation between nanowire atomic structure and conductance behavior. Received 28 November 2000     

Carbon nanotubes films: electronic properties and their application as field emitters

Aligned carbon nanotube films have been studied with a wide variety of characterization techniques. Although nanotubes resemble bulk graphite as far as carrier densities, susceptibilities and conductivities are concerned, transport properties and ESR measurments indicate that carrier localization occurs at low temperatures. Nanotube films are good field emitters producing large currents at relatively low electric fields. The performance is superior to the intensely studied CVD diamond films in particular for the threshold field for electron emission. We believe that the observed remarkable electron emission is related to the special electronic structure of the nanotube tips.