The Military Aspect of Canada

n/

Observation of magnetic circular dichroism in Fe L_{2,3} x-ray-fluorescence spectra

We report experiments demonstrating circular dichroism in the x-ray-fluorescence spectra of magnetic systems, as predicted by a recent theory. The data, on the L_{2,3} edges of ferromagnetic iron, are compared with fully relativistic local spin density functional calculations, and the relationship between the dichroic spectra and the spin-resolved local density of occupied states is discussed

Quantum test of the distributions of composite physical measurements [pre-print]

Probability distribution functions and lowest statistical moments of composite measurements representable as products and quotients of independent normal variates are derived, and tested by means of the α and β branching decays of 212Bi. The exact composite distribution functions are non-Gaussian and provide correct uncertainty estimates and confidence intervals in cases where standard error propagation relations are inaccurate. Although nuclear decay processes give rise to Poisson-distributed parent populations, the Gaussian-based composite distributions form nearly perfect envelopes to the discrete distributions of products and ratios of Poisson variates, even for relatively low counts. To our knowledge, this is the first reported experimental test of the statistics of composite measurements by a fundamental quantum process

Electronic structure and x-ray magnetic dichroism in random substitutional alloys of f-electron elements

The Koringa-Kohn-Rostoker —coherent-potential-approximation method combines multiple-scattering theory and the coherent-potential approximation to calculate the electronic structure of random substitutional alloys of transition metals. In this paper we describe the generalization of this theory to describe f-electron alloys. The theory is illustrated with a calculation of the electronic structure and magnetic dichroism curves for a random substitutional alloy containing rare-earth or actinide elements from first principles

Reversable heat flow through the carbon nanotube junctions

Microscopic mechanisms of externally controlled reversable heat flow through the carbon nanotube junctions (NJ) are studied theoretically. Our model suggests that the heat is transfered along the tube section ${\cal T}$ by electrons ($e$) and holes ($h$) moving ballistically in either in parallel or in opposite directions and accelerated by the bias source-drain voltage $V_{\rm SD}$ (Peltier effect). We compute the Seebeck coefficient $\alpha$, electric $\sigma$ and thermal $\kappa$ conductivities and find that their magnitudes strongly depend on $V_{\rm SD}$ and $V_{\rm G}$. The sign reversal of $\alpha$ versus the sign of $V_{\rm G}$ formerly observed experimentally is interpreted in this work in terms of so-called chiral tunneling phenomena (Klein paradox)

The structure of a purple acid phosphatase involved in plant growth and pathogen defence exhibits a novel immunoglobulin-like fold

Phosphatases function in the production, transport and recycling of inorganic phosphorus, which is crucial for cellular metabolism and bioenergetics, as well as in bacterial killing, since they are able to generate reactive oxygen species via Fenton chemistry. Diphosphonucleotide phosphatase/phosphodiesterase (PPD1), a glycoprotein plant purple acid phosphatase (PAP) from yellow lupin seeds, contains a bimetallic Fe–Mn catalytic site which is most active at acidic pH. Unlike other plant PAPs, PPD1 cleaves the pyrophosphate bond in diphosphonucleotides and the phosphodiester bond in various phosphodiesters. The homohexameric organization of PPD1, as revealed by a 1.65 Å resolution crystal structure and confirmed by solution X-ray scattering, is unique among plant PAPs, for which only homodimers have previously been reported. A phosphate anion is bound in a bidentate fashion at the active site, bridging the Fe and Mn atoms in a binding mode similar to that previously reported for sweet potato PAP, which suggests that common features occur in their catalytic mechanisms. The N-terminal domain of PPD1 has an unexpected and unique fibronectin type III-like fold that is absent in other plant PAPs. Here, the in vitro DNA-cleavage activity of PPD1 is demonstrated and it is proposed that the fibronectin III-like domain, which `overhangs' the active site, is involved in DNA selectivity, binding and activation. The degradation of DNA by PPD1 implies a role for PPD1 in plant growth and repair and in pathogen defence

An embedding scheme for the Dirac equation

An embedding scheme is developed for the Dirac Hamiltonian H. Dividing space into regions I and II separated by surface S, an expression is derived for the expectation value of H which makes explicit reference to a trial function defined in I alone, with all details of region II replaced by an effective potential acting on S and which is related to the Green function of region II. Stationary solutions provide approximations to the eigenstates of H within I. The Green function for the embedded Hamiltonian is equal to the Green function for the entire system in region I. Application of the method is illustrated for the problem of a hydrogen atom in a spherical cavity and an Au(001)/Ag/Au(001) sandwich structure using basis sets that satisfy kinetic balance.Comment: 16 pages, 5 figure