Electronic structure of polychiral carbon nanotubes

Most of the works devoted so far to the electronic band structure of multiwall nanotubes have been restricted to the case where the individual layers have the same helicity. By comparison, much less is known on the electronic properties of multiwall nanotubes that mix different helicities. These are interesting systems, however, since they can be composed of both metallic and semiconducting layers. For the present work, tight-binding calculations were undertaken for polychiral two-layer nanotubes such as (9,6)@(15,10), (6,6)@(18,2), and others. The recursion technique was used to investigate how the densities of states of the individual layers are affected by the intertube coupling. Constant-current STM images were also calculated for these systems. The result obtained is that the image of a two-wall nanotube is pretty much the same as the one of the isolated external layer. It is only in the case of monochiral, commensurate structures like (5,5)@(10,10) that interlayer effects can be seen on the STM topography.Comment: 12 pages plus 6 figures included in the postscript fil

Multi-scale processes in metapopulations : Contributions of stage structure, rescue effect, and correlated extinctions

Peer reviewedPublisher PD

Unintended consequences: The snowball effect of energy communities

Following the development of decentralized generation and smart appliances, energy communities have become a phenomenon of increased interest. While the benefits of such communities have been discussed, there is increasing concern that inadequate grid tariffs may lead to excess adoption of such business models. Furthermore, snowball effects may be observed following the effects these communities have on grid tariffs. We show that restraining the study to a simple cost-benefit analysis is far from satisfactory. Therefore, we use the framework of cooperative game theory to take account of the ability of communities to share gains between members. The interaction between energy communities and the DSO then results in a non-cooperative equilibrium. We provide mathematical formulations and intuitions of such effects, and carry out realistic numerical applications where communities can invest jointly in solar panels and batteries. We show that such a snowball effect may be observed, but its magnitude and its welfare effects will depend on the grid tariff structure that is implemented, leading to possible PV over-investments

Knowledge graphs for covid-19: An exploratory review of the current landscape

Background: Searching through the COVID-19 research literature to gain actionable clinical insight is a formidable task, even for experts. The usefulness of this corpus in terms of improving patient care is tied to the ability to see the big picture that emerges when the studies are seen in conjunction rather than in isolation. When the answer to a search query requires linking together multiple pieces of information across documents, simple keyword searches are insufficient. To answer such complex information needs, an innovative artificial intelligence (AI) technology named a knowledge graph (KG) could prove to be effective. Methods: We conducted an exploratory literature review of KG applications in the context of COVID-19. The search term used was "covid-19 knowledge graph". In addition to PubMed, the first five pages of search results for Google Scholar and Google were considered for inclusion. Google Scholar was used to include non-peer-reviewed or non-indexed articles such as pre-prints and conference proceedings. Google was used to identify companies or consortiums active in this domain that have not published any literature, peer-reviewed or otherwise. Results: Our search yielded 34 results on PubMed and 50 results each on Google and Google Scholar. We found KGs being used for facilitating literature search, drug repurposing, clinical trial mapping, and risk factor analysis. Conclusions: Our synopses of these works make a compelling case for the utility of this nascent field of research

Exploiting the noise: improving biomarkers with ensembles of data analysis methodologies.

BackgroundThe advent of personalized medicine requires robust, reproducible biomarkers that indicate which treatment will maximize therapeutic benefit while minimizing side effects and costs. Numerous molecular signatures have been developed over the past decade to fill this need, but their validation and up-take into clinical settings has been poor. Here, we investigate the technical reasons underlying reported failures in biomarker validation for non-small cell lung cancer (NSCLC).MethodsWe evaluated two published prognostic multi-gene biomarkers for NSCLC in an independent 442-patient dataset. We then systematically assessed how technical factors influenced validation success.ResultsBoth biomarkers validated successfully (biomarker #1: hazard ratio (HR) 1.63, 95% confidence interval (CI) 1.21 to 2.19, P = 0.001; biomarker #2: HR 1.42, 95% CI 1.03 to 1.96, P = 0.030). Further, despite being underpowered for stage-specific analyses, both biomarkers successfully stratified stage II patients and biomarker #1 also stratified stage IB patients. We then systematically evaluated reasons for reported validation failures and find they can be directly attributed to technical challenges in data analysis. By examining 24 separate pre-processing techniques we show that minor alterations in pre-processing can change a successful prognostic biomarker (HR 1.85, 95% CI 1.37 to 2.50, P < 0.001) into one indistinguishable from random chance (HR 1.15, 95% CI 0.86 to 1.54, P = 0.348). Finally, we develop a new method, based on ensembles of analysis methodologies, to exploit this technical variability to improve biomarker robustness and to provide an independent confidence metric.ConclusionsBiomarkers comprise a fundamental component of personalized medicine. We first validated two NSCLC prognostic biomarkers in an independent patient cohort. Power analyses demonstrate that even this large, 442-patient cohort is under-powered for stage-specific analyses. We then use these results to discover an unexpected sensitivity of validation to subtle data analysis decisions. Finally, we develop a novel algorithmic approach to exploit this sensitivity to improve biomarker robustness

Surgical treatment of trochanteric fractures: An Ivorian experience

Background: Trochanteric fractures have become a major focus of orthopaedic interest. Surgical management is the best option for treating such fractures. Objective: To present our experience with the surgical treatment of trochanteric fractures with special attention to short-term results. Design: A retrospective study performed between 1993 and 2002. Setting: Department of orthopaedics surgery, Yopougon teaching hospital, Abidjan, Côte d'Ivoire. Patients and methods: There were 48 men and 17 women with a mean age of 44 years at the moment of the injury. Road traffic accident was the main cause of fractures accounting for 42 cases. Mean preoperative delay was 22 days. Surgical implants used were the Judet screw plate and Küntscher nail. Results: Postoperative death occurred in three cases. Fracture healing was achieved in 57 patients at an average of four months. Malunion and displacement into varus was noticed in 11.7% of patients. Infection occurred in seven patients, wound hematoma in eight and decubital ulcer in five. Conclusions: Trochanteric fractures in our environment are caused by severe trauma. These injuries could be managed surgically with simple methods that are readily available with immediate satisfactory outcome. Keywords: trochanteric fractures, surgical care Judet screw plate, Küntscher nail, complications Nigerian Journal of Surgical Research Vol. 7(1&2) 2005: 187–19

Computation of Scanning Tunneling Microscope Images of Nanometer-Sized Objects Physisorbed on Metal Surfaces

This communication deals with the application of a transfer-matrix strategy for the quantitative evaluation of the tunnel current in a scanning tunneling microscope (STM). The image given by a simple atomic-size object deposited on a metal surface is specifically examined in both modes of STM operation namely the constant-height and the constant-current modes. The two-dimensional corrugation induced at low temperature by Xe atoms physisorbed on an otherwise clean, unreconstructed Ni (110) surface is studied in detail. It is shown that the simple consideration of the elastic scattering of electrons by the three-dimensional potential barrier between the tip and the metal substrates provides a quantitative description of the images produced by the instrument: (1) the Xe atom appears as a conic protrusion, approximately 7 A wide, with a corrugation 1.3 A high; (2) in Xe clusters, each adjoining atom is resolved, with a shape in full agreement with experiment. In order to obtain correct quantitative results, image-charge corrections to the potential cannot be neglected

System multilayered applied to the radiative cooling

In applied optics, the multilayered structures (MLS) take an important place in many instrumental and industrial devices. The aim of this work is to study the MLS in order to optimize the inverse greenhouse effect; it is made by a survey on theoretical formalism of the energy exchange phenomena. This optimization requires that the window materials (MLS) are good reflectors in the visible range and assuring a total transmission in the infrared zone (8-13 µm); One of the support elements, of the window, answering to these criterions is germanium, for which we have studied the thickness influence and have found that the equilibrium temperature reached by the absorber has a minimal value between 0.01 µm and 0.06 µm. However, only with germanium, the window can not products the inverse greenhouse effect. Indeed, the germanium must include other layers in order to increase the visible reflectance and the infrared transmittance (8-13µm); what forms a multilayered structure. Several system have been used, only 7 of them have been kept for this work: S1, S2, …, S7 systems. Only the following systems: S2/S1, S3/S2/S1 and MgO/S3/S2/S1 give a radiative cooling effect, with a very good result of 15 °C below ambient temperature in the case of the S6 system. To approach of the real conditions of this system realization (S6), we simulated the effects of such imperfections, as presence of air, that would be due to the quality of the layers deposition. This study is made in the case of the S7 system. As results, we found that, for zenithal angles ≤ 60°, the layers of air, for which the thickness is lower than 0.5 µm, don't present any influence on the absorber's equilibrium temperature.In applied optics, the multilayered structures (MLS) take an important place in many instrumental and industrial devices. The aim of this work is to study the MLS in order to optimize the inverse greenhouse effect; it is made by a survey on theoretical formalism of the energy exchange phenomena. This optimization requires that the window materials (MLS) are good reflectors in the visible range and assuring a total transmission in the infrared zone (8-13 µm); One of the support elements, of the window, answering to these criterions is germanium, for which we have studied the thickness influence and have found that the equilibrium temperature reached by the absorber has a minimal value between 0.01 µm and 0.06 µm. However, only with germanium, the window can not products the inverse greenhouse effect. Indeed, the germanium must include other layers in order to increase the visible reflectance and the infrared transmittance (8-13µm); what forms a multilayered structure. Several system have been used, only 7 of them have been kept for this work: S1, S2, …, S7 systems. Only the following systems: S2/S1, S3/S2/S1 and MgO/S3/S2/S1 give a radiative cooling effect, with a very good result of 15 °C below ambient temperature in the case of the S6 system. To approach of the real conditions of this system realization (S6), we simulated the effects of such imperfections, as presence of air, that would be due to the quality of the layers deposition. This study is made in the case of the S7 system. As results, we found that, for zenithal angles ≤ 60°, the layers of air, for which the thickness is lower than 0.5 µm, don't present any influence on the absorber's equilibrium temperature

Two-Stage Rotational Disordering of a Molecular Crystal Surface: C\u3csub\u3e60\u3c/sub\u3e

We propose a two-stage mechanism for the rotational surface disordering phase transition of a molecular crystal, as realized in C60 fullerite. Our study, based on Monte Carlo simulations, uncovers the existence of a new intermediate regime, between a low-temperature ordered (2×2) state, and a high-temperature (1×1) disordered phase. In the intermediate regime there is partial disorder, strongest for a subset of particularly frustrated surface molecules. These concepts and calculations provide a coherent understanding of experimental observations, with possible extension to other molecular crystal surfaces

Towards analytical approaches to the dynamical-cluster approximation

I introduce several simplified schemes for the approximation of the self-consistency condition of the dynamical cluster approximation. The applicability of the schemes is tested numerically using the fluctuation-exchange approximation as a cluster solver for the Hubbard model. Thermodynamic properties are found to be practically indistinguishable from those computed using the full self-consistent scheme in all cases where the non-interacting partial density of states is replaced by simplified analytic forms with matching 1st and 2nd moments. Green functions are also compared and found to be in close agreement, and the density of states computed using Pad\'{e} approximant analytic continuation shows that dynamical properties can also be approximated effectively. Extensions to two-particle properties and multiple bands are discussed. Simplified approaches to the dynamical cluster approximation should lead to new analytic solutions of the Hubbard and other models