Modelling Interregional Trade of Energy Crops in Eastern Germany

Renewable resources gain in importance in our modern society. The line of reasoning is based on their positive effects on agriculture, the environment and the economy. To support renewable energy from biomass the EU promotes the cultivation of energy crops. A spatial equilibrium model is applied based on the concept of maximizing net welfare, to provide information whether energy crop production competes with food production for land area. The Model of Interregional Trade of Energy Crops (ITEC) refers to Eastern Germany and adjacent areas of Poland. First results show that the regions have enough feedstocks to meet the required demand for food and biofuel production. In many cases both food crops and biofuels are either traded on interregional basis or exported to "Rest of Europe" indicating that there is no competition between food and energy crops. Only green maize for biogas production strongly competes in areas where the crop is required as feed for cattle.Energy crops, spatial equilibrium analysis, interregional trade, International Relations/Trade,

Shortage of vaccines during a yellow fever outbreak in Guinea.

A yellow fever epidemic erupted in Guinea in September, 2000. From Sept 4, 2000, to Jan 7, 2001, 688 instances of the disease and 225 deaths were reported. The diagnosis was laboratory confirmed by IgM detection in more than 40 patients. A mass vaccination campaign was limited by insufficient international stocks. After the epidemic in Guinea, the International Coordinating Group on Vaccine Provision for Epidemic Meningitis Control decided that 2 million doses of 17D yellow fever vaccine, being stored as part of a UNICEF stockpile, should be used only in response to outbreaks

Real space first-principles derived semiempirical pseudopotentials applied to tunneling magnetoresistance

In this letter we present a real space density functional theory (DFT) localized basis set semi-empirical pseudopotential (SEP) approach. The method is applied to iron and magnesium oxide, where bulk SEP and local spin density approximation (LSDA) band structure calculations are shown to agree within approximately 0.1 eV. Subsequently we investigate the qualitative transferability of bulk derived SEPs to Fe/MgO/Fe tunnel junctions. We find that the SEP method is particularly well suited to address the tight binding transferability problem because the transferability error at the interface can be characterized not only in orbital space (via the interface local density of states) but also in real space (via the system potential). To achieve a quantitative parameterization, we introduce the notion of ghost semi-empirical pseudopotentials extracted from the first-principles calculated Fe/MgO bonding interface. Such interface corrections are shown to be particularly necessary for barrier widths in the range of 1 nm, where interface states on opposite sides of the barrier couple effectively and play a important role in the transmission characteristics. In general the results underscore the need for separate tight binding interface and bulk parameter sets when modeling conduction through thin heterojunctions on the nanoscale.Comment: Submitted to Journal of Applied Physic

Cd-vacancy and Cd-interstitial complexes in Si and Ge

The electrical field gradient (EFG), measured e.g. in perturbed angular correlation (PAC) experiments, gives particularly useful information about the interaction of probe atoms like 111In / 111Cd with other defects. The interpretation of the EFG is, however, a difficult task. This paper aims at understanding the interaction of Cd impurities with vacancies and interstitials in Si and Ge, which represents a controversial issue. We apply two complementary ab initio methods in the framework of density functional theory (DFT), (i) the all electron Korringa-Kohn-Rostoker (KKR) Greenfunction method and (ii) the Pseudopotential-Plane-Wave (PPW) method, to search for the correct local geometry. Surprisingly we find that both in Si and Ge the substitutional Cd-vacancy complex is unstable and relaxes to a split-vacancy complex with the Cd on the bond-center site. This complex has a very small EFG, allowing a unique assignment of the small measured EFGs of 54MHz in Ge and 28MHz in Si. Also, for the Cd-selfinterstitial complex we obtain a highly symmetrical split configuration with large EFGs, being in reasonable agreement with experiments

On the Origin of Metallicity and Stability of the Metastable Phase in Chemically Exfoliated MoS2_2

Chemical exfoliation of MoS$_2$ via Li-intercalation route has led to many desirable properties and spectacular applications due to the presence of a metastable state in addition to the stable H phase. However, the nature of the specific metastable phase formed, and its basic charge conduction properties have remained controversial. Using spatially resolved Raman spectroscopy (~1 micrometer resolution) and photoelectron spectroscopy (~120 nm resolution), we probe such chemically exfoliated MoS$_2$ samples in comparison to a mechanically exfoliated H phase sample and confirm that the dominant metastable state formed by this approach is a distorted T' state with a small semiconducting gap. Investigating two such samples with different extents of Li residues present, we establish that Li+ ions, not only help to exfoliate MoS$_2$ into few layer samples, but also contribute to enhancing the relative stability of the metastable state as well as dope the system with electrons, giving rise to a lightly doped small bandgap system with the T' structure, responsible for its spectacular properties.Comment: 34 pages, Main manuscript + Supplementary Materia

Accurate evaluation of the interstitial KKR-Green function

It is shown that the Brillouin zone integral for the interstitial KKR-Green function can be evaluated accurately by taking proper care of the free-electron singularities in the integrand. The proposed method combines two recently developed methods, a supermatrix method and a subtraction method. This combination appears to provide a major improvement compared with an earlier proposal based on the subtraction method only. By this the barrier preventing the study of important interstitial-like defects, such as an electromigrating atom halfway along its jump path, can be considered as being razed.Comment: 23 pages, RevTe

A relativistic model for neutrino pion production from nuclei in the resonance region

We present a relativistic model for electroweak pion production from nuclei, focusing on the $\Delta$ and the second resonance region. Bound states are derived in the Hartree approximation to the $\sigma-\omega$ Walecka model. Final-state interactions of the outgoing pion and nucleon are described in a factorized way by means of a relativistic extension of the Glauber model. Our formalism allows a detailed study of neutrino pion production through $Q^2$, $W$, energy, angle and out-of-plane distributions.Comment: 3 pages, 1 figure, poster presented at the NuInt07 conference on few-GeV neutrino physic

Property-Based Testing - The ProTest Project

The ProTest project is an FP7 STREP on property based testing. The purpose of the project is to develop software engineering approaches to improve reliability of service-oriented networks; support fault-finding and diagnosis based on specified properties of the system. And to do so we will build automated tools that will generate and run tests, monitor execution at run-time, and log events for analysis. The Erlang / Open Telecom Platform has been chosen as our initial implementation vehicle due to its robustness and reliability within the telecoms sector. It is noted for its success in the ATM telecoms switches by Ericsson, one of the project partners, as well as for multiple other uses such as in facebook, yahoo etc. In this paper we provide an overview of the project goals, as well as detailing initial progress in developing property based testing techniques and tools for the concurrent functional programming language Erlang

Broken-Bond Rule for the Surface Energies of Noble Metals

Using two different full-potential ab-initio techniques we introduce a simple, universal rule based on the number of broken first-neighbor bonds to determine the surface energies of the three noble metals Cu, Ag and Au. When a bond is broken, the rearrangement of the electronic charge for these metals does not lead to a change of the remaining bonds. Thus the energy needed to break a bond is independent of the surface orientation. This novel finding can lead to the development of simple models to describe the energetics of a surface like step and kink formation, crystal growth, alloy formation, equilibrium shape of mesoscopic crystallites and surface faceting.Comment: 4 pages, 2 figure

Ballistic Spin Injection from Fe into ZnSe and GaAs with a (001), (111), and (110) orientation

We present first-principles calculations of ballistic spin injection in Fe/GaAs and Fe/ZnSe junctions with orientation (001), (111), and (110). We find that the symmetry mismatch of the Fe minority-spin states with the semiconductor conduction states can lead to extremely high spin polarization of the current through the (001) interface for hot and thermal injection processes. Such a symmetry mismatch does not exist for the (111) and (110) interfaces, where smaller spin injection efficiencies are found. The presence of interface states is found to lower the current spin polarization, both with and without a Schottky barrier. Finally, a higher bias can also affect the spin injection efficiency.Comment: 12 pages, 18 figure