Van der Waals Density Functional for General Geometries

A scheme within density functional theory is proposed that provides a practical way to generalize to unrestricted geometries the method applied with some success to layered geometries [H. Rydberg, et al., Phys. Rev. Lett. 91, 126402 (2003)]. It includes van der Waals forces in a seamless fashion. By expansion to second order in a carefully chosen quantity contained in the long range part of the correlation functional, the nonlocal correlations are expressed in terms of a density-density interaction formula. It contains a relatively simple parametrized kernel, with parameters determined by the local density and its gradient. The proposed functional is applied to rare gas and benzene dimers, where it is shown to give a realistic description.Comment: 4 pages, 4 figure

First Odin sub-mm retrievals in the tropical upper troposphere: ice cloud properties

International audienceMore accurate global measurements of the amount of ice in thicker clouds are needed to validate atmospheric models and sub-mm radiometry can be an important component in this respect. A cloud ice retrieval scheme for the first such instrument in space, Odin-SMR, is presented here. Several advantages of sub-mm observations are shown, such as low influence of particle shape and orientation, and a high dynamic range of the retrievals. In the case of Odin-SMR, only cloud ice above ?12.5 km can be measured. The present retrieval scheme gives a detection threshold of about 4 g/m2 above 12.5 km and does not saturate even for thickest observed clouds (>500 g/m2). The main retrieval uncertainties are the assumed particle size distribution and cloud inhomogeneity effects. The overall retrieval accuracy is estimated to be ~75%. The retrieval error is judged to have large random components and to be significantly lower than this value for averaged results, but high fixed errors can not be excluded. However, a firm lower value can always be provided. Initial results are found to be consistent with similar Aura MLS retrievals, but show important differences to corresponding data from atmospheric models. This first retrieval algorithm is limited to lowermost Odin-SMR tangent altitudes, and further development should improve the detection threshold and the vertical resolution. It should also be possible to decrease the retrieval uncertainty associated with cloud inhomogeneities by detailed analysis of other data sets

Enhanced dispersion interaction between quasi-one dimensional conducting collinear structures

Recent investigations have highlighted the failure of a sum of $R^{-6}$ terms to represent the dispersion interaction in parallel metallic, anisotropic, linear or planar nanostructures [J. F. Dobson, A. White, and A. Rubio, Phys. Rev. Lett. 96, 073201 (2006) and references therein]. By applying a simple coupled plasmon approach and using electron hydrodynamics, we numerically evaluate the dispersion (non-contact van der Waals) interaction between two conducting wires in a collinear pointing configuration. This case is compared to that of two insulating wires in an identical geometry, where the dispersion interaction is modelled both within a pairwise summation framework, and by adding a pinning potential to our theory leading to a standard oscillator-type model of insulating dielectric behavior. Our results provide a further example of enhanced dispersion interaction between two conducting nanosystems compared to the case of two insulating ones. Unlike our previous work, this calculation explores a region of relatively close coupling where, although the electronic clouds do not overlap, we are still far from the asymptotic region where a single power law describes the dispersion energy. We find that strong differences in dispersion attraction between metallic and semiconducting / insulating cases persist into this non-asymptotic region. While our theory will need to be supplemented with additional short-ranged terms when the electronic clouds overlap, it does not suffer from the short-distance divergence exhibited by purely asymptotic theories, and gives a natural saturation of the dispersion energy as the wires come into contact.Comment: 10 pages, 5 figures. Added new extended numerical calculations, new figures, extra references and heavily revised tex

Comparison between the first Odin-SMR, Aura MLS and CloudSat retrievals of cloud ice mass in the upper tropical troposphere

International audienceEmerging microwave satellite techniques are expected to provide improved global measurements of cloud ice mass. CloudSat, Aura MLS and Odin-SMR fall into this category and first cloud ice retrievals from these instruments are compared. The comparison is made for partial ice water columns above 12 km, following the SMR retrieval product. None of the instruments shows significant false cloud detections and a consistent view of the geographical distribution of cloud ice is obtained, but differences on the absolute levels exist. CloudSat gives the lowest values, with an overall mean of 2.12 g/m2. A comparable mean for MLS is 4.30 g/m2. This relatively high mean can be an indication of overestimation of the vertical altitude of cloud ice by the MLS retrievals. The vertical response of SMR has also some uncertainty, but this does not affect the comparison between MLS and CloudSat. SMR observations are sensitive to cloud inhomogeneities inside the footprint and some compensation is required. Results in good agreement with CloudSat, both in regard of the mean and probability density functions, are obtained for a weak compensation, while a simple characterisation of the effect indicates the need for stronger compensation. The SMR mean was found to be 1.89/2.62/4.10 g/m2 for no/selected/strongest compensation, respectively. Assumptions about the particle size distribution are a consideration for all three instruments, and constitute the dominating retrieval uncertainty for CloudSat. The comparison indicates a retrieval accuracy of about 40% (3.1±1.2 g/m2). This number is already very small compared to uncertainties of cloud ice parametrisation in atmospheric models, but can be decreased further through a better understanding of main retrieval error sources

Comparison between early Odin-SMR, Aura MLS and CloudSat retrievals of cloud ice mass in the upper tropical troposphere

International audienceEmerging microwave satellite techniques are expected to provide improved global measurements of cloud ice mass. CloudSat, Aura MLS and Odin-SMR fall into this category and early cloud ice retrievals from these instruments are compared. The comparison follows the SMR retrieval product and is made for partial ice water columns above 12 km. None of the retrievals shows a significant degree of false cloud detections, the ratio between local mean values from the instruments is fairly constant and a consistent view of the geographical distribution of cloud ice is obtained. However, important differences on the absolute levels exist, where the overall mean is 9.6, 4.2 and 3.7 g m?2 for CloudSat, SMR and MLS, respectively. Assumptions about the particle size distribution (PSD) are a consideration for all three instruments and constitute the dominating retrieval uncertainty for CloudSat. The mean for CloudSat when applying the same PSD as for MLS and SMR was estimated to 6.3 g m?2. A second main consideration for MLS and SMR are the effects caused by the poorer spatial resolution: a possible vertical misplacement of retrieved values and an impact of cloud inhomogeneities. The latter effect was found to be the dominating retrieval uncertainty for SMR, giving a possible mean value range of 2.3?8.9 g m?2. The comparison indicates a common retrieval accuracy in the order of 70%. Already this number should suffice for improved validations of cloud ice parametrisation schemes in atmospheric models, but a substantially better consistency between the datasets should be attainable through an increased understanding of main retrieval error sources

Time to first recurrence, pattern of recurrence, and survival after recurrence in endometrial cancer according to the molecular classification.

OBJECTIVE Despite its generally favorable prognosis at primary diagnosis, recurrence of endometrial cancer remains an important clinical challenge. The aim of this study was to analyze the value of molecular classification in recurrent endometrial cancer. METHODS This study included patients with recurrent endometrial cancer who underwent primary surgical treatment between 2004 and 2015 at the Karolinska University Hospital, Sweden and the Bern University Hospital, Switzerland (KImBer cohort) with molecular classification of the primary tumor. RESULTS Out of 594 molecularly classified endometrial cancer patients, 101 patients experienced recurrence, consisting of 2 POLEmut, 33 MMRd, 30 p53abn, and 36 NSMP tumors. Mean age at recurrence was 71 years and mean follow-up was 54 months. Overall, median time to first recurrence was 16 months (95% CI 12-20); with the shortest median time in MMRd patients, with 13 months (95% CI 5-21). The pattern of recurrence was distinct among molecular subgroups: MMRd tumors experienced more locoregional, while p53abn cases showed more abdominal recurrences (P = .042). Median survival after recurrence was best for MMRd cases (43 months, 95% CI 11-76), compared to 39 months (95% CI 21-57) and 10 months (95% CI 7-13) for the NSMP and p53abn cases respectively (log-rank, P = .001). CONCLUSION Molecular classification is a significant indicator of survival after recurrence in endometrial cancer patients, and patterns of recurrence differ by molecular subgroups. While MMRd endometrial cancer show more locoregional recurrence and the best survival rates after recurrence, p53abn patients experience abdominal recurrence more often and had the worst prognosis of all recurrent patients

Desorption of n-alkanes from graphene: a van der Waals density functional study

A recent study of temperature programmed desorption (TPD) measurements of small n-alkanes (CNH2N+2) from C(0001) deposited on Pt(111) shows a linear relationship of the desorption energy with increasing n-alkane chain length. We here present a van der Waals density functional study of the desorption barrier energy of the ten smallest n-alkanes (N = 1 to 10) from graphene. We find linear scaling with N, including a nonzero intercept with the energy axis, i.e., an offset at the extrapolation to N = 0. This calculated offset is quantitatively similar to the results of the TPD measurements. From further calculations of the polyethylene polymer we offer a suggestion for the origin of the offset.Comment: 3 pictures, 1 tabl

Atomic Supersymmetry, Rydberg Wave Packets, and Radial Squeezed States

We study radial wave packets produced by short-pulsed laser fields acting on Rydberg atoms, using analytical tools from supersymmetry-based quantum-defect theory. We begin with a time-dependent perturbative calculation for alkali-metal atoms, incorporating the atomic-excitation process. This provides insight into the general wave packet behavior and demonstrates agreement with conventional theory. We then obtain an alternative analytical description of a radial wave packet as a member of a particular family of squeezed states, which we call radial squeezed states. By construction, these have close to minimum uncertainty in the radial coordinates during the first pass through the outer apsidal point. The properties of radial squeezed states are investigated, and they are shown to provide a description of certain aspects of Rydberg atoms excited by short-pulsed laser fields. We derive expressions for the time evolution and the autocorrelation of the radial squeezed states, and we study numerically and analytically their behavior in several alkali-metal atoms. Full and fractional revivals are observed. Comparisons show agreement with other theoretical results and with experiment.Comment: published in Physical Review

Unified Treatment of Asymptotic van der Waals Forces

In a framework for long-range density-functional theory we present a unified full-field treatment of the asymptotic van der Waals interaction for atoms, molecules, surfaces, and other objects. The only input needed consists of the electron densities of the interacting fragments and the static polarizability or the static image plane, which can be easily evaluated in a ground-state density-functional calculation for each fragment. Results for separated atoms, molecules, and for atoms/molecules outside surfaces are in agreement with those of other, more elaborate, calculations.Comment: 6 pages, 5 figure

Polarization-selective optical nanostructures for optical MEMS integration

Optical nanostructures have the potential to provide useful new functionalities, using materials and fabrication methods that are compatible with standard silicon-based processes. For example, it has been shown that a nanoscale grating coated with a metal layer produces polarization-selective reflectivity [1,2], based on the combined effects of form birefringence and a resonant cavity [3]. In this work, we adapt this design approach to develop two devices optimized to operate around 1.55 μm wavelength: a polarizing beam splitter, and a polarization-selective reflector. Such devices are of particular interest as they may provide optical properties such as polarization selectivity or enhanced reflectivity using nanostructures compatible with optical micro-electro-mechanical systems (MEMS)