Quantitative estimates of the content of the metastable Si-XII,Si-III,and α-Si phases of silicon in the areas of indenter impressions

A quantitative estimate is presented of the specific and total volumes of the metastable Si-XII, Si-III, and α-Si phases of silicon in a locally strained (Berkovich pyramid) area. Calculations are performed using experimental data obtained via Raman spectroscopy and in situ registration of the Si-I → Si-II phase transitions of silicon under the indenter.     

Analysis of the common characteristics of the Hartmann,Ronchi, and Shack–Hartmann tests

An overview of the settings of the planes for the filters and observed patterns in the Hartmann and Ronchi tests is presented. Also a new set of filters for both test were developed. In a similar way, it is easy to extend this analysis to the Shack–Hartmann test, and to propose a new Null Shack–Hartmann filter.     

Effects of the 3d transition metal doping on the structural,electronic, and magnetic properties of BeO nanotubesEffects of the 3d transition metal doping on the structural,electronic, and magnetic properties of BeO nanotubesEffects of the 3d transition metal doping on the structural,electronic, and magnetic properties of BeO nanotubes

First-principles calculations have been performed on the structural, electronic, and magnetic properties of seven 3d transition-metal （TM） impurities （V, Cr, Mn, Fe, Co, Ni, and Cu） doped armchair （5,5） and zigzag （8,0） beryllium oxide nanotubes （BeONTs）. The results show that there exists a structural distortion around the 3d TM impurities with respect to the pristine BeONTs. The magnetic moment increases for V- and Cr-doped BeONTs and reaches a maximum for Mn-doped BeONT, and then decreases for Fe-, Co-, Ni-, and Cu-doped BeONTs successively, consistent with the predicted trend of Hund＇s rule to maximize the magnetic moments of the doped TM ions. However, the values of the magnetic moments are smaller than the predicted values of Hund＇s rule due to the strong hybridization between the 2p orbitals of the near O and Be ions of BeONTs and the 3d orbitals of the TM ions. Furthermore, the V-, Co-, and Ni-doped （5,5） and （8,0） BeONTs with half-metal ferromagnetism and thus 100% spin polarization character are good candidates for spintronic applications.     

MIDI,the 10 μm interferometer of the VLT

We report in this paper on the current status of the mid-infrared beam combiner of the VLTI: MIDI. We explain the interest of VLTI for this range of wavelentghs and give an overview of the main characteristics of MIDI and present its scientific targets.     

First-principles calculations of the structural,electronic, optical and thermal properties of the BNxAs1–x alloys

The present paper aims to study the structural, electronic, optical and thermal properties of the boron nitride (BN) and BAs bulk materials as well as the BN_xAs_1–x ternary alloys by employing the full-potential-linearised augmented plane wave method within the density functional theory. The structural properties are determined using the Wu–Cohen generalised gradient approximation that is based on the optimisation of the total energy. For band structure calculations, both the Wu–Cohen generalised gradient approximation and the modified Becke–Johnson of the exchange-correlation energy and potential, respectively, are used. We investigated the effect of composition on the lattice constants, bulk modulus and band gap. Deviations of the lattice constants and the bulk modulus from the Vegard’s law and the linear concentration dependence, respectively, were observed for the alloys where this result allows us to explain some specific behaviours in the electronic properties of the alloys. For the optical properties, the calculated refractive indices and the optical dielectric constants were found to vary nonlinearly with the N composition. Finally, the thermal effect on some of the macroscopic properties was predicted using the quasi-harmonic Debye model in which the lattice vibrations are taken into account.     

Helmholtz, Riemann, and the Sirens: Sound, Color, and the “Problem of Space”

Emerging from music and the visual arts, questions about hearing and seeing deeply affected Hermann Helmholtz’s and Bernhard Riemann’s contributions to what became called the “problem of space [Raumproblem],” which in turn influenced Albert Einstein’s approach to general relativity. Helmholtz’s physiological investigations measured the time dependence of nerve conduction and mapped the three-dimensional manifold of color sensation. His concurrent studies on hearing illuminated musical evidence through experiments with mechanical sirens that connect audible with visible phenomena, especially how the concept of frequency unifies motion, velocity, and pitch. Riemann’s critique of Helmholtz’s work on hearing led Helmholtz to respond and study Riemann’s then-unpublished lecture on the foundations of geometry. During 1862–1870, Helmholtz applied his findings on the manifolds of hearing and seeing to the Raumproblem by supporting the quadratic distance relation Riemann had assumed as his fundamental hypothesis about geometrical space. Helmholtz also drew a “close analogy … in all essential relations between the musical scale and space.” These intersecting studies of hearing and seeing thus led to reconsideration and generalization of the very concept of “space,” which Einstein shaped into the general manifold of relativistic space-time.     

Study of the effect of the substitution of O by F,S, and Cl on the superconductivity of Y1Ba2Cu3O7−δ

We have studied the superconducting transitions of Y₁Ba₂Cu₃D _x O_7–x– samples where O has been replaced by D=F, S, or Cl andx=0.2-2. No single phase compounds were obtained forx>0.2. No dramatic increase inT _c was registered. Generally the results can be interpreted as a dilution of the highT _c 1 2 3 phase by other phases as the dopant concentration increases, ultimately suppressingT _c completely. Possibly there is an increase ofT _c for an intermediate dopant range,x, in the Cl series.     

Application of the multireference equation of motion coupled cluster method,including spin–orbit coupling,to the atomic spectra of Cr,Mn, Fe and Co

The recently introduced multireference equation of motion (MR-EOM) approach is combined with a simple treatment of spin–orbit coupling, as implemented in the ORCA program. The resulting multireference equation of motion spin–orbit coupling (MR-EOM-SOC) approach is applied to the first-row transition metal atoms Cr, Mn, Fe and Co, for which experimental data are readily available. Using the MR-EOM-SOC approach, the splittings in each L-S multiplet can be accurately assessed (root mean square (RMS) errors of about 70 cm^?1). The RMS errors for J-specific excitation energies range from 414 to 783 cm^?1 and are comparable to previously reported J-averaged MR-EOM results using the ACESII program. The MR-EOM approach is highly efficient. A typical MR-EOM calculation of a full spin–orbit spectrum takes about 2 CPU hours on a single processor of a 12-core node, consisting of Intel XEON 2.93 GHz CPUs with 12.3 MB of shared cache memory.     

Simulation of the (p,T) phase diagram of the temperature-driven metamagnet α-FeRh

We perform finite-pressure Monte Carlo simulations of an effective spin-analogous model with coupled magnetic and lattice degrees of freedom, which has previously been proposed in order to explain the anomalous temperature driven metamagnetic phase transition in α-FeRh. The results are in reasonable agreement with the experimental (p,?T) phase diagram. The critical behaviour of the system along the transition lines is analysed in detail.     

Synthesis, characterization of the pentacene and fabrication of pentacene field-effect transistors

A comprehensive understanding of the organic semiconductor material pentacene is meaningful for organic fieldeffect transistors （OFETs）. Thin films of pentacene are the most mobile molecular films known to date. This paper reported that the pentacene sample was successfully synthesized. The purity of pentacene is up to 95%. The results of a joint experimental investigation based on a combination of infrared absorption spectra, mass spectra （MS）, element analysis, x-ray diffraction （XRD） and atom force microscopy （AFM）. The authors fabricated OFET with the synthesized pentacene. Its field effect mobility is about 1.23 cm^2/（V·s） and on-off ratio is above 10^6.     

Peculiarities of the electronic structure of Yb, In, Ag, and Cu in the heavy-fermion system YbIn1−x AgxCu4

The method of x-ray spectral line displacement is used for studying the electronic structure, i.e., the population of the 4f shell of Yb, 5s shells of In and Ag, and 4s shell of Cu, in the YbIn_1?x Ag_xCu₄ heavy-fermion system (0≤x≤1, T=300 K; T=77, 300, and 1000 K for YbIn_0.7Ag_0.3Cu₄). It is shown that Yb is in a state with fractional valence whose value is independent of x (or on the type of the partner, i.e., In and Ag) in the entire range of compositions and is equal to $\bar m = 2.91 \pm 0.01$ at T=300 K. An increase in the population of the In s states of In, Ag, and Cu (as compared to metals) is observed: $\overline {\Delta n_s } (In) = 0.65 \pm 0.05 el/at$ , $\overline {\Delta n_s } (Ag) = 0.71 \pm 0.09 el/at$ , and $\overline {\Delta n_s } (Cu) = 0.08 \pm 0.02 el/at$ . A practically linear decrease in the valence of Yb to the value m(T=1000 K)=2.81±0.02 is observed in YbIn_0.7Ag_0.3Cu₄ upon an increase in temperature from T=77 to 1000 K.     

First-principles calculation of the structural,electronic, elastic,and optical properties of sulfur-doping ε-GaSe crystal

The structural,electronic,mechanical properties,and frequency-dependent refractive indexes of GaSe_(1-x)S_x(x=0,0.25,and 1) are studied by using the first-principles pseudopotential method within density functional theory.The calculated results demonstrate the relationships between intralayer structure and elastic modulus in GaSe_(1-x)S_x(x=0,0.25,and 1).Doping of ε-GaSe with S strengthens the Ga-X bonds and increases its elastic moduli of C_(11) and C_(66).Born effective charge analysis provides an explanation for the modification of cleavage properties about the doping of e-GaSe with S.The calculated results of band gaps suggest that the distance between intralayer atom and substitution of S_(Se),rather than interlayer force,is a key factor influencing the electronic exciton energy of the layer semiconductor.The calculated refractive indexes indicate that the doping of ε-GaSe with S reduces its refractive index and increases its birefringence.     

Force-field dependence of the conformational properties of α,ω-dimethoxypolyethylene glycol

A molecular dynamics (MD) study of α,ω-dimethoxypolyethylene glycol has been carried out under various conditions with respect to solvent composition, ionic strength, chain length, force field and temperature. A previous MD study on a 15-mer of polyethyleneglycol (PEG) suggested a helical equilibrium structure that was stabilised by hydrogen bonding and bridging water molecules. Experiments show that PEG is highly soluble in water, and indicate that clustering is not favoured. In the present study using different force fields, the GROMOS force fields 45A3 and 53A6, a variation on the latter 53A6_OE, and a force field by Smith et al. produced different results. For the GROMOS force fields 45A3 and 53A6 no helical structure was found, but formation of more or less compact random coils in aqueous solution due to hydrophobic interactions was observed. For the other two force fields used, α,ω-dimethoxypolyethylene glycol stayed flexible and more or less elongated in aqueous solution, more in agreement with experimental observations and the previous MD study.     

Measurement of the two-photon widths of thea 2,η′, η

Pion interferometry has been reinvestigated forpp and \(\bar p\) p minimum bias data from the AFS experiment at CERN. A model based on an interplay between static coherent and chaotic sources finds some support in these data, although decisive predictions cannot be verified. The Kolehmainen-Gyulassy picture, taking into account both dynamical and geometrical aspects of the interaction, is quite successful and, particularly, the peaked structure in data at lowQ values is reproduced.     

On the mechanism of formation of excited states of the 8Be nucleus in the reaction 12C(γ, 3α)

The reaction ¹²C(γ, 3α) was studied with the aid of a diffusion chamber placed in a magnetic field, filled with a methane-helium mixture, and irradiated with bremsstrahlung photons of endpoint energy 150 MeV. The total reaction cross section was measured in the energy range E _γ < 40 MeV. The ground state; the first, second, and unseparated third and fourth excited states; and highly excited states (in the range 19.9 < E _x < 25.2 MeV) of the ⁸Be nucleus manifested themselves in the distribution of events with respect to the energy of the relative motion of two alpha particles. A resonance that is characterized by the energy of E₀ = 0.72 MeV and the width of Γ = 0.80 MeV and which was identified as a ghost anomaly was found between the ground state and the first excited state. Partial cross sections were measured for various channels. Excited states are formed in narrow photon-energy intervals, and their partial cross sections are of a resonance shape. It is found that the energy corresponding to the maximum of the partial cross section for the ith level, E _m ⁱ , and the excitation energy of the next level, E ₀ ⁱ⁺¹ , are correlated: E _m ⁱ = E ₀ ⁱ⁺¹ + ?, where ? is the reaction threshold. The results are qualitatively explained on the basis of a model that assumes photon absorption by an alpha-particle pair.     

Einstein,Incompleteness, and the Epistemic View of Quantum States

Does the quantum state represent reality or our knowledge of reality? In making this distinction precise, we are led to a novel classification of hidden variable models of quantum theory. We show that representatives of each class can be found among existing constructions for two-dimensional Hilbert spaces. Our approach also provides a fruitful new perspective on arguments for the nonlocality and incompleteness of quantum theory. Specifically, we show that for models wherein the quantum state has the status of something real, the failure of locality can be established through an argument considerably more straightforward than Bell’s theorem. The historical significance of this result becomes evident when one recognizes that the same reasoning is present in Einstein’s preferred argument for incompleteness, which dates back to 1935. This fact suggests that Einstein was seeking not just any completion of quantum theory, but one wherein quantum states are solely representative of our knowledge. Our hypothesis is supported by an analysis of Einstein’s attempts to clarify his views on quantum theory and the circumstance of his otherwise puzzling abandonment of an even simpler argument for incompleteness from 1927.     

In the Land of the Dinosaurs,How to Survive Experience with Building of Midrange Computing Cluster

This paper discusses how to put into operation a midrange computing cluster for the Nuclear Chemistry Group(NCG) of the State University of New York at STONY Brook(SUNY-SB).The NCG is part and one of the collaborators within the RHIC/Phenix experiment located at the Brookhaven National Laboratory(BNL).The Phenix detector system produces about half a PB(or 500 TB) of data a year and our goal was to provide to this remote collaborating facility the means to be part of the analysis process.The computing installation was put into operation at the beginning of the year 2000.The cluster consists of 32 peripheral machines running under Linux and central server Alpha 4100 under DIgital Unix 4.of (formally True Unix 64),In the paper the realization process is under discussion.