Exchange and Correlation Kernels at the Resonance Frequency -- Implications for Excitation Energies in Density-Functional Theory

Specific matrix elements of exchange and correlation kernels in time-dependent density-functional theory are computed. The knowledge of these matrix elements not only constraints approximate time-dependent functionals, but also allows to link different practical approaches to excited states, either based on density-functional theory, or on many-body perturbation theory, despite the approximations that have been performed to derive them.Comment: Submitted to Phys. Rev. Lett. (February 4, 1999). Other related publications can be found at http://www.fhi-berlin.mpg.de/th/paper.htm

Spin currents and spin dynamics in time-dependent density-functional theory

We derive and analyse the equation of motion for the spin degrees of freedom within time-dependent spin-density-functional theory (TD-SDFT). Results are (i) a prescription for obtaining many-body corrections to the single-particle spin currents from the Kohn-Sham equation of TD-SDFT, (ii) the existence of an exchange-correlation (xc) torque within TD-SDFT, (iii) a prescription for calculating, from TD-SDFT, the torque exerted by spin currents on the spin magnetization, (iv) a novel exact constraint on approximate xc functionals, and (v) the discovery of serious deficiencies of popular approximations to TD-SDFT when applied to spin dynamics.Comment: now includes discussion of OEP and GGA; to appear in Phys. Rev. Let

Mechanical and microstructural integrity of nickel-titanium and stainless steel laser joined wires

The biomedical industry shows increasing interest in the joining of dissimilar metals, especially with the aim of developing devices that combine different mechanical and corrosive properties. As an example, nickel titanium shape memory alloys joined to stainless steel are very promising for new invasive surgery devices, such as guidewires. A fracture mechanics study of such joined wires was carried out using in situ tensile testing and scanning electron microscopy imaging combined with chemical analysis, and revealed an unusual fracture behaviour at superelastic stress. Nanoindentation was performed to determine the mechanical properties of the welded area, which were used as an input for mechanical computation in order to understand this unexpected behaviour. Automated image correlation allowed verification of the mechanical modelling and a reduced stress strain model is proposed to explain the special fracture mechanism. This study reveals the fact that tremendous property changes at the interface between the NiTi base wire and the weld area have more impact on the ultimate tensile strength than the chemical composition variation across the welded area. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved

Diabetes Distress but Not Clinical Depression or Depressive Symptoms Is Associated With Glycemic Control in Both Cross-Sectional and Longitudinal Analyses

ObjectiveTo determine the concurrent, prospective, and time-concordant relationships among major depressive disorder (MDD), depressive symptoms, and diabetes distress with glycemic control.Research design and methodsIn a noninterventional study, we assessed 506 type 2 diabetic patients for MDD (Composite International Diagnostic Interview), for depressive symptoms (Center for Epidemiological Studies-Depression), and for diabetes distress (Diabetes Distress Scale), along with self-management, stress, demographics, and diabetes status, at baseline and 9 and 18 months later. Using multilevel modeling (MLM), we explored the cross-sectional relationships of the three affective variables with A1C, the prospective relationships of baseline variables with change in A1C over time, and the time-concordant relationships with A1C.ResultsAll three affective variables were moderately intercorrelated, although the relationship between depressive symptoms and diabetes distress was greater than the relationship of either with MDD. In the cross-sectional MLM, only diabetes distress but not MDD or depressive symptoms was significantly associated with A1C. None of the three affective variables were linked with A1C in prospective analyses. Only diabetes distress displayed significant time-concordant relationships with A1C.ConclusionsWe found no concurrent or longitudinal association between MDD or depressive symptoms with A1C, whereas both concurrent and time-concordant relationships were found between diabetes distress and A1C. What has been called "depression" among type 2 diabetic patients may really be two conditions, MDD and diabetes distress, with only the latter displaying significant associations with A1C. Ongoing evaluation of both diabetes distress and MDD may be helpful in clinical settings

Properties of interfaces in amorphous/crystalline silicon heterojunctions

To study recombination at the amorphous/crystalline Si (a- Si:H/c-Si) heterointerface, the amphoteric nature of silicon (Si) dangling bonds is taken into account. Modeling interface recombination measured on various test structures provides insight into the microscopic passivation mechanisms, yielding an excellent interface defect density reduction by intrinsic a-Si:H and tunable field-effect passivation by doped layers. The potential of this model's applicability to recombination at other Si heterointerfaces is demonstrated. Solar cell properties of a-Si:H/c-Si heterojunctions are in good accordance with the microscopic interface properties revealed by modeling, that are, e.g., slight asymmetries in the neutral capture cross-sections and band offsets. The importance of atomically abrupt interfaces and the difficulties to obtain them on pyramidally textured c-Si is studied in combination with transmission electron microscopy

Natural Changes in Brain Temperature Underlie Variations in Song Tempo during a Mating Behavior

The song of a male zebra finch is a stereotyped motor sequence whose tempo varies with social context – whether or not the song is directed at a female bird – as well as with the time of day. The neural mechanisms underlying these changes in tempo are unknown. Here we show that brain temperature recorded in freely behaving male finches exhibits a global increase in response to the presentation of a female bird. This increase strongly correlates with, and largely explains, the faster tempo of songs directed at a female compared to songs produced in social isolation. Furthermore, we find that the observed diurnal variations in song tempo are also explained by natural variations in brain temperature. Our findings suggest that brain temperature is an important variable that can influence the dynamics of activity in neural circuits, as well as the temporal features of behaviors that some of these circuits generate

AWAKE: A proton-driven plasma wakefield acceleration experiment at CERN

The AWAKE Collaboration has been formed in order to demonstrate proton-driven plasma wakefield acceleration for the first time. This acceleration technique could lead to future colliders of high energy but of a much reduced length when compared to proposed linear accelerators. The CERN SPS proton beam in the CNGS facility will be injected into a 10 m plasma cell where the long proton bunches will be modulated into significantly shorter micro bunches. These micro-bunches will then initiate a strong wakefield in the plasma with peak fields above 1 GV/m that will be harnessed to accelerate a bunch of electrons from about 20 MeV to the GeV scale within a few meters. The experimental program is based on detailed numerical simulations of beam and plasma interactions. The main accelerator components, the experimental area and infrastructure required as well as the plasma cell and the diagnostic equipment are discussed in detail. First protons to the experiment are expected at the end of 2016 and this will be followed by an initial three-four years experimental program. The experiment will inform future larger-scale tests of proton-driven plasma wakefield acceleration and applications to high energy colliders.info:eu-repo/semantics/publishedVersio