Lowlying levels of the odd69As nucleus in the particle quadrupol-phonon coupling model (PTQM)

The low excited states of the⁶⁹As nucleus have been described in the framework of theSU(6) particle-quadrupole-phonon coupling model (PTQM).     

Chaos and unpredictability in evolutionary dynamics in discrete time

A discrete-time version of the replicator equation for two-strategy games is studied. The stationary properties differ from those of continuous time for sufficiently large values of the parameters, where periodic and chaotic behavior replace the usual fixed-point population solutions. We observe the familiar period-doubling and chaotic-band-splitting attractor cascades of unimodal maps but in some cases more elaborate variations appear due to bimodality. Also unphysical stationary solutions can have unusual physical implications, such as the uncertainty of the final population caused by sensitivity to initial conditions and fractality of attractor preimage manifolds.     

Laboratory set-up for X-ray diffraction at high pressures

We describe here a simple set-up for X-ray diffraction under high pressure using a diamond anvil cell employing a sealed tube. The set-up works in angular dispersive geometry and is built using rather common components that are available in a research laboratory. We show that using this set-up one can routinely acquire good-quality data for the determination of structural properties under pressure and the equations of state. Technical details are presented along with examples of experimental results for sodium chloride and LiV₂O₄.     

Ground-based complex for checking the optical system

The purpose TUS space experiment is to study cosmic rays of ultrahigh energies produced by extensive air showers from space. The concentrator is located on satellite, made in the form of the Fresnel mirror towards the earth’s atmosphere, the focus of which is a photodetector. The angle of view of the mirror is ±4.5° that for a given height of the orbit corresponds to the area 80 × 80 km² on ground. The ground complex consisting of a number of stations, to check the optical system of the experiment is created, (their location and the amount will be determined after the launch of the satellite based on its actual orbit).     

Exploiting the Massey Gap

In this paper, we find new refinements to the Massey inequality, which relates the Shannon and guessing entropies, introducing a new concept: the Massey gap. By shrinking the Massey gap, we improve all previous work without introducing any new parameters, providing closed-form strict refinements, as well as a numerical procedure improving them even further.     

Knill-Laflamme-Milburn quantum computation with bosonic atoms

A Knill-Laflamme-Milburn (KLM) type quantum computation with bosonic neutral atoms or bosonic ions is suggested. Crucially, as opposite to other quantum computation schemes involving atoms (ions), no controlled interactions between atoms (ions) involving their internal levels are required. Versus photonic KLM computation, this scheme has the advantage that single-atom (ion) sources are more natural than single-photon sources, and single-atom (ion) detectors are far more efficient than single-photon ones.     

Quantum nonlocality and beyond: limits from nonlocal computation

We address the problem of "nonlocal computation," in which separated parties must compute a function without any individual learning anything about the inputs. Surprisingly, entanglement provides no benefit over local classical strategies for such tasks, yet stronger nonlocal correlations allow perfect success. This provides intriguing insights into the limits of quantum information processing, the nature of quantum nonlocality, and the differences between quantum and stronger-than-quantum nonlocal correlations.     

Linear and nonlinear relations between DSC parameters and elastic moduli for chemically and thermally treated human hair

Against the practical context of thermal straightening, hair samples were obtained with a chemical (bleaching) as well as a cumulative thermal history (0–800 s, 200 °C). On these samples, tensile testing and DSC analysis, both in the wet state, were conducted to obtain the elastic moduli E_w as well as denaturation temperatures T_D and enthalpies ΔH_D. 3D plots show overall linearity for the relationships between the parameters for natural hair. For bleached hair, pronounced nonlinearities develop beyond 300 s of thermal treatment. At this stage, T_D as well as E_w approaches limiting values, consistent with the state of a highly cross-linked, thermoset polymer. 2D projections are used to investigate the correlations between pairs of parameters. The results show that bleaching imparts a specific sensitivity for thermal damage, namely, to the matrix proteins, which more readily than the intermediate filaments (IF) turn into a thermoset. Overall, correlations between parameters hold well prior to the thermoset range. It is thus suggested that tensile testing to determine the elastic modulus and DSC come to consistent and equivalent results, at least, for the current experimental context. However, while E_w combines contributions of IFs and matrix, DSC differentiates the specific property changes of these components.

     

Calculations of molecular multipole electric moments of a series of exo-insaturated four-membered heterocycles,Y = CCH2CH2X

The influence of ring puckering angle on the multipole moments of sixteen four-membered heterocycles (1-16) was theoretically estimated using MP2 and different DFTs in combination with the 6-31+G(d,p) basis set. To obtain an accurate evaluation, CCSD/cc-pVDZ level and, the MP2 and PBE1PBE methods in combination with the aug-cc-pVDZ and aug-cc-pVTZ basis sets were performed on the planar geometries of 1-16. In general, the DFT and MP2 approaches provided an identical dependence of the electrical properties with the puckering angle for 1-16. Quantitatively, the quality of the level of theory and basis sets affects significant the predictions of the multipole moments, in particular for the heterocycles containing C=O and C=S bonds. Convergence basis sets within the MP2 and PBE1PBE approximations are reached in the dipole moment calculations when the aug-cc-pVTZ basis set is used, while the quadrupole and octupole moment computations require a larger basis set than aug-cc-pVTZ. On the other hand, the multipole moments showed a strong dependence with the molecular geometry and the nature of the carbon-heteroatom bonds. Specifically, the C-X bond determines the behavior of the μ(?), θ(?) and ?(?) functions, while the C=Y bond plays an important role in the magnitude of the studied properties.     

Solid-State NMR Spectroscopy: A Powerful Technique to Directly Study Small Gas Molecules Adsorbed in Metal–Organic Frameworks

Metal–organic frameworks (MOFs) have shown great potential in gas separation and storage, and the design of MOFs for these purposes is an on-going field of research. Solid-state nuclear magnetic resonance (SSNMR) spectroscopy is a valuable technique for characterizing these functional materials. It can provide a wide range of structural and motional insights that are complementary to and/or difficult to access with alternative methods. In this Concept article, the recent advances made in SSNMR investigations of small gas molecules (i.e., carbon dioxide, carbon monoxide, hydrogen gas and light hydrocarbons) adsorbed in MOFs are discussed. These studies demonstrate the breadth of information that can be obtained by SSNMR spectroscopy, such as the number and location of guest adsorption sites, host–guest binding strengths and guest mobility. The knowledge acquired from these experiments yields a powerful tool for progress in MOF development.