Nature and strength of bonding in a crystal of semiconducting nanotubes: van der Waals density functional calculations and analytical results

The dispersive interaction between nanotubes is investigated through ab initio theory calculations and in an analytical approximation. A van der Waals density functional (vdW-DF) [Phys. Rev. Lett. 92, 246401 (2004)] is used to determine and compare the binding of a pair of nanotubes as well as in a nanotube crystal. To analyze the interaction and determine the importance of morphology, we furthermore compare results of our ab initio calculations with a simple analytical result that we obtain for a pair of well-separated nanotubes. In contrast to traditional density functional theory calculations, the vdW-DF study predicts an intertube vdW bonding with a strength that is consistent with recent observations for the interlayer binding in graphitics. It also produce a nanotube wall-to-wall separation which is in very good agreement with experiments. Moreover, we find that the vdW-DF result for the nanotube-crystal binding energy can be approximated by a sum of nanotube-pair interactions when these are calculated in vdW-DF. This observation suggests a framework for an efficient implementation of quantum-physical modeling of the CNT bundling in more general nanotube bundles, including nanotube yarn and rope structures.Comment: 10 pages, 4 figure

Three-loop matching coefficients for hot QCD: Reduction and gauge independence

We perform an integral reduction for the 3-loop effective gauge coupling and screening mass of QCD at high temperatures, defined as matching coefficients appearing in the dimensionally reduced effective field theory (EQCD). Expressing both parameters in terms of a set master (sum-) integrals, we show explicit gauge parameter independence. The lack of suitable methods for solving the comparatively large number of master integrals forbids the complete evaluation at the moment. Taking one generic class of masters as an example, we highlight the calculational techniques involved. The full result would allow to improve on one of the classic probes for the convergence of the weak-coupling expansion at high temperatures, namely the comparison of full and effective theory determinations of the spatial string tension. Furthermore, the full result would also allow to determine one new contribution of order O(g**7) to the pressure of hot QCD.Comment: 19 pages, 2 figures. v2: new Section 6 discussing applications, to match journal versio

Ecosystem engineering by plants on wave-exposed intertidal flats is governed by relationships between effect and response traits

In hydrodynamically stressful environments, some species—known as ecosystem engineers—are able to modify the environment for their own benefit. Little is known however, about the interaction between functional plant traits and ecosystem engineering. We studied the responses of Scirpus tabernaemontani and Scirpus maritimus to wave impact in full-scale flume experiments. Stem density and biomass were used to predict the ecosystem engineering effect of wave attenuation. Also the drag force on plants, their bending angle after wave impact and the stem biomechanical properties were quantified as both responses of stress experienced and effects on ecosystem engineering. We analyzed lignin, cellulose, and silica contents as traits likely effecting stress resistance (avoidance, tolerance). Stem density and biomass were strong predictors for wave attenuation, S. maritimus showing a higher effect than S. tabernaemontani. The drag force and drag force per wet frontal area both differed significantly between the species at shallow water depths (20 cm). At greater depths (35 cm), drag forces and bending angles were significantly higher for S. maritimus than for S. tabernaemontani. However, they do not differ in drag force per wet frontal area due to the larger plant surface of S. maritimus. Stem resistance to breaking and stem flexibility were significantly higher in S. tabernaemontani, having a higher cellulose concentration and a larger cross-section in its basal stem parts. S. maritimus had clearly more lignin and silica contents in the basal stem parts than S. tabernaemontani. We concluded that the effect of biomass seems more relevant for the engineering effect of emergent macrophytes with leaves than species morphology: S. tabernaemontani has avoiding traits with minor effects on wave attenuation; S. maritimus has tolerating traits with larger effects. This implies that ecosystem engineering effects are directly linked with traits affecting species stress resistance and responding to stress experienced

3-D unrestricted TDHF fusion calculations using the full Skyrme interaction

We present a study of fusion cross sections using a new generation Time-Dependent Hartree-Fock (TDHF) code which contains no approximations regarding collision geometry and uses the full Skyrme interaction, including all of the time-odd terms. In addition, the code uses the Basis-Spline collocation method for improved numerical accuracy. A comparative study of fusion cross sections for $^{16}O + ^{16,28}O$ is made with the older TDHF results and experiments. We present results using the modern Skyrme forces and discuss the influence of the new terms present in the interaction.Comment: 7 pages, 10 figure

Analysis of planetary analogue materials by laser-induced breakdown spectroscopy

Laser Induced Breakdown Spectroscopy (LIBS) is a promising tool for elemental chemical analysis in planetary science, because it allows real-time and fast in-situ determination of the elemental composition of materials down to minute concentrations. The technique requires no special preparation of samples, can provide high lateral resolution (as low as several tenths μm), depth profiling (down to mm) and, therefore, is not disturbed by dust layers. Miniaturized LIBS instruments are currently considered for the next NASA (Mars Science Laboratory) and ESA (ExoMars) missions to Mars, as well as studied for the international Europa Lander Mission. Here we present the LIBS laboratory facility at the German Aerospace Center in Berlin for the chemical elemental analysis under simulated planetary (Mars, Europa) conditions. The main purpose of the system is the study of the LIBS capability for in-situ spectroscopy for diverse planetary missions as well as the development of a LIBS spectral database under simulated planetary conditions for planetary analogue materials

Phase-dependent light propagation in atomic vapors

Light propagation in an atomic medium whose coupled electronic levels form a diamond-configuration exhibits a critical dependence on the input conditions. In particular, the relative phase of the input fields gives rise to interference phenomena in the electronic excitation whose interplay with relaxation processes determines the stationary state. We integrate numerically the Maxwell-Bloch equations and observe two metastable behaviors for the relative phase of the propagating fields corresponding to two possible interference phenomena. These phenomena are associated to separate types of response along propagation, minimize dissipation, and are due to atomic coherence. These behaviors could be studied in gases of isotopes of alkali-earth atoms with zero nuclear spin, and offer new perspectives in control techniques in quantum electronics.Comment: 16 pages, 11 figures, v2: typos corrected, v3: final version, to appear in Phys. Rev.

A bright nanowire single photon source based on SiV centers in diamond

The practical implementation of many quantum technologies relies on the development of robust and bright single photon sources that operate at room temperature. The negatively charged silicon-vacancy (SiV-) color center in diamond is a possible candidate for such a single photon source. However, due to the high refraction index mismatch to air, color centers in diamond typically exhibit low photon out-coupling. An additional shortcoming is due to the random localization of native defects in the diamond sample. Here we demonstrate deterministic implantation of Si ions with high conversion efficiency to single SiV- centers, targeted to fabricated nanowires. The co-localization of single SiV- centers with the nanostructures yields a ten times higher light coupling efficiency than for single SiV- centers in bulk diamond. This enhanced photon out-coupling, together with the intrinsic scalability of the SiV- creation method, enables a new class of devices for integrated photonics and quantum science.Comment: 15 pages, 5 figure

Local Anisotropy of Fluids using Minkowski Tensors

Statistics of the free volume available to individual particles have previously been studied for simple and complex fluids, granular matter, amorphous solids, and structural glasses. Minkowski tensors provide a set of shape measures that are based on strong mathematical theorems and easily computed for polygonal and polyhedral bodies such as free volume cells (Voronoi cells). They characterize the local structure beyond the two-point correlation function and are suitable to define indices $0\leq \beta_\nu^{a,b}\leq 1$ of local anisotropy. Here, we analyze the statistics of Minkowski tensors for configurations of simple liquid models, including the ideal gas (Poisson point process), the hard disks and hard spheres ensemble, and the Lennard-Jones fluid. We show that Minkowski tensors provide a robust characterization of local anisotropy, which ranges from $\beta_\nu^{a,b}\approx 0.3$ for vapor phases to $\beta_\nu^{a,b}\to 1$ for ordered solids. We find that for fluids, local anisotropy decreases monotonously with increasing free volume and randomness of particle positions. Furthermore, the local anisotropy indices $\beta_\nu^{a,b}$ are sensitive to structural transitions in these simple fluids, as has been previously shown in granular systems for the transition from loose to jammed bead packs