Monte Carlo simulations reveal the straightening up of an end-grafted flexible chain with a rigid side chain

We have studied the conformational properties of a flexible end-grafted chain (length $N$) with a rigid side chain (length $S$) by means of Monte Carlo simulations. Depending on the lengths $N$ and $S$ and the branching site, $b$, we observe a considerable straightening of the flexible backbone as quantified via the gyration tensor. For $b=N$, i.e. when attaching the side chain to the free end of the flexible backbone, the effect was strongest

Relic density of wino-like dark matter in the MSSM

The relic density of TeV-scale wino-like neutralino dark matter in the MSSM is subject to potentially large corrections as a result of the Sommerfeld effect. A recently developed framework enables us to calculate the Sommerfeld-enhanced relic density in general MSSM scenarios, properly treating mixed states and multiple co-annihilating channels as well as including off-diagonal contributions. Using this framework, including on-shell one-loop mass splittings and running couplings and taking into account the latest experimental constraints, we perform a thorough study of the regions of parameter space surrounding the well known pure-wino scenario: namely the effect of sfermion masses being non-decoupled and of allowing non-negligible Higgsino or bino components in the lightest neutralino. We further perform an investigation into the effect of thermal corrections and show that these can safely be neglected. The results reveal a number of phenomenologically interesting but so far unexplored regions where the Sommerfeld effect is sizeable. We find, in particular, that the relic density can agree with experiment for dominantly wino neutralino dark matter with masses ranging from 1.7 to beyond 4 TeV. In light of these results the bounds from Indirect Detection on wino-like dark matter should be revisited.Comment: 49 pages, 15 figure

Shot noise of a quantum dot measured with GHz stub impedance matching

The demand for a fast high-frequency read-out of high impedance devices, such as quantum dots, necessitates impedance matching. Here we use a resonant impedance matching circuit (a stub tuner) realized by on-chip superconducting transmission lines to measure the electronic shot noise of a carbon nanotube quantum dot at a frequency close to 3 GHz in an efficient way. As compared to wide-band detection without impedance matching, the signal to noise ratio can be enhanced by as much as a factor of 800 for a device with an impedance of 100 k$\Omega$. The advantage of the stub resonator concept is the ease with which the response of the circuit can be predicted, designed and fabricated. We further demonstrate that all relevant matching circuit parameters can reliably be deduced from power reflectance measurements and then used to predict the power transmission function from the device through the circuit. The shot noise of the carbon nanotube quantum dot in the Coulomb blockade regime shows an oscillating suppression below the Schottky value of $2eI$, as well an enhancement in specific regions.Comment: 6 pages, 4 figures, supplementar

Analysis of band-gap formation in squashed arm-chair CNT

The electronic properties of squashed arm-chair carbon nanotubes are modeled using constraint free density functional tight binding molecular dynamics simulations. Independent from CNT diameter, squashing path can be divided into {\it three} regimes. In the first regime, the nanotube deforms with negligible force. In the second one, there is significantly more resistance to squashing with the force being $\sim 40-100$ nN/per CNT unit cell. In the last regime, the CNT looses its hexagonal structure resulting in force drop-off followed by substantial force enhancement upon squashing. We compute the change in band-gap as a function of squashing and our main results are: (i) A band-gap initially opens due to interaction between atoms at the top and bottom sides of CNT. The $\pi-$orbital approximation is successful in modeling the band-gap opening at this stage. (ii) In the second regime of squashing, large $\pi-\sigma$ interaction at the edges becomes important, which can lead to band-gap oscillation. (iii) Contrary to a common perception, nanotubes with broken mirror symmetry can have {\it zero} band-gap. (iv) All armchair nanotubes become metallic in the third regime of squashing. Finally, we discuss both differences and similarities obtained from the tight binding and density functional approaches.Comment: 16 pages and 6 figures, To appear in PR

A Bell-Evans-Polanyi principle for molecular dynamics trajectories and its implications for global optimization

The Bell-Evans-Polanyi principle that is valid for a chemical reaction that proceeds along the reaction coordinate over the transition state is extended to molecular dynamics trajectories that in general do not cross the dividing surface between the initial and the final local minima at the exact transition state. Our molecular dynamics Bell-Evans-Polanyi principle states that low energy molecular dynamics trajectories are more likely to lead into the basin of attraction of a low energy local minimum than high energy trajectories. In the context of global optimization schemes based on molecular dynamics our molecular dynamics Bell-Evans-Polanyi principle implies that using low energy trajectories one needs to visit a smaller number of distinguishable local minima before finding the global minimum than when using high energy trajectories

Stability in the instantaneous Bethe-Salpeter formalism: harmonic-oscillator reduced Salpeter equation

A popular three-dimensional reduction of the Bethe-Salpeter formalism for the description of bound states in quantum field theory is the Salpeter equation, derived by assuming both instantaneous interactions and free propagation of all bound-state constituents. Numerical (variational) studies of the Salpeter equation with confining interaction, however, observed specific instabilities of the solutions, likely related to the Klein paradox and rendering (part of the) bound states unstable. An analytic investigation of this problem by a comprehensive spectral analysis is feasible for the reduced Salpeter equation with only harmonic-oscillator confining interactions. There we are able to prove rigorously that the bound-state solutions correspond to real discrete energy spectra bounded from below and are thus free of any instabilities.Comment: 23 pages, 3 figures, extended conclusions, version to appear in Phys. Rev.