Minimal graphene thickness for wear protection of diamond

We show by means of molecular dynamics simulations that graphene is an excellent coating for diamond. The transformation of diamond to amorphous carbon while sliding under pressure can be prevented by having at least two graphene layers between the diamond slabs, making this combination of materials suitable for new coatings and micro- and nanoelectromechanical devices. Grain boundaries, vacancies and adatoms on the diamond surface do not change this picture whereas reactive adsorbates between the graphene layers may have detrimental effects. Our findings can be explained by the properties of layered materials where the weak interlayer bonding evolves to a strong interlayer repulsion under pressure

CKVul: evolving nebula and three curious background stars

We analyse the remnants of CK Vul (Nova Vul 1670) using optical imaging and spectroscopy. The imaging, obtained between 1991 and 2010, spans 5.6% of the life-time of the nebula. The flux of the nebula decreased during the last 2 decades. The central source still maintains the ionization of the innermost part of the nebula, but recombination proceeds in more distant parts of the nebula. Surprisingly, we discovered two stars located within 10 arcsec of the expansion centre of the radio emission that are characterized by pronounced long term variations and one star with high proper motion. The high proper motion star is a foreground object, and the two variable stars are background objects. The photometric variations of two variables are induced by a dusty cloud ejected by CK Vul and passing through the line of sight to those stars. The cloud leaves strong lithium absorption in the spectra of the stars. We discuss the nature of the object in terms of recent observations.Comment: Published in MNRAS, available at http://mnras.oxfordjournals.org/cgi/content/abstract/stt426

The development of a mapping tool for the evaluation of building systems for future climate scenarios on European scale

The paper presents a tool for the mapping of the performance of building systems on European scale for different (future) time periods. The tool is to use for users and be applicable for different building systems. Users should also be able to use a broad range of climate parameters to assess the influence of climate change on these climatic parameters. Also should the calculation time be reasonable short. The mapping tool is developed in MATLAB, which can be used by other users for their own studies.Comment: 21 pages, 24 figures, pre-conferenc

The shortcomings of semi-local and hybrid functionals: what we can learn from surface science studies

A study of the adsorption of CO on late 4d and $5d$ transition metal (111) surfaces (Ru, Rh, Pd, Ag, Os, Ir, and Pt) considering atop and hollow site adsorption is presented. The applied functionals include the gradient corrected PBE and BLYP functional, and the corresponding hybrid Hartree-Fock density functionals HSE and B3LYP. We find that PBE based hybrid functionals (specifically HSE) yield, with the exception of Pt, the correct site order on all considered metals, but they also considerably overestimate the adsorption energies compared to experiment. On the other hand, the semi-local BLYP functional and the corresponding hybrid functional B3LYP yield very satisfactory adsorption energies and the correct adsorption site for all surfaces. We are thus faced with a Procrustean problem: the B3LYP and BLYP functionals seem to be the overall best choice for describing adsorption on metal surfaces, but they simultaneously fail to account well for the properties of the metal, vastly overestimating the equilibrium volume and underestimating the atomization energies. Setting out from these observations, general conclusions are drawn on the relative merits and drawbacks of various semi-local and hybrid functionals. The discussion includes a revised version of the PBE functional specifically optimized for bulk properties and surface energies (PBEsol), a revised version of the PBE functional specifically optimized to predict accurate adsorption energies (rPBE), as well as the aforementioned BLYP functional. We conclude that no semi-local functional is capable to describe all aspects properly, and including non-local exchange also only improves some, but worsens other properties.Comment: 12 pages, 6 figures; to be published in New Journal of Physic

BES with FEM: Building Energy Simulation using Finite Element Methods

An overall objective of energy efficiency in the built environment is to improve building and systems performances in terms of durability, comfort and economics. In order to predict, improve and meet a certain set of performance requirements related to the indoor climate of buildings and the associated energy demand, building energy simulation (BES) tools are indispensable. Due to the rapid development of FEM software and the Multiphysics approaches, it should possible to build and simulate full 3D models of buildings regarding the energy demand. The paper presents a methodology for performing building energy simulation with Comsol. The method was applied to an international test box experiment. The results showed an almost perfect agreement between the used BES model and Comsol. These preliminary results confirm the great opportunities to use FEM related software for building energy performance simulation.Comment: 5 pages, 6 figures, Proceedings of the 2012 COMSOL Conference in Mila

BCFW recursion for TMD parton scattering

We investigate the application of the BCFW recursion relation to scattering amplitudes with one off-shell particle in a Yang-Mills theory with fermions. We provide a set of conditions of applicability of the BCFW recursion, stressing some important differences with respect to the pure on-shell case. We show how the formulas for Maximally-Helicity-Violating (MHV) configurations with any number of partons, which are well known in the fully on-shell case, are generalized to this kinematic regime. We also derive analytic expressions for all the helicity configurations of the 5-point color-stripped tree-level amplitudes for any of the partons being off the mass shell.Comment: Some typos in text and formulas correcte