Robust and efficient coding with grid cells.

The neuronal code arising from the coordinated activity of grid cells in the rodent entorhinal cortex can uniquely represent space across a large range of distances, but the precise conditions for optimal coding capacity are known only for environments with finite size. Here we consider a coding scheme that is suitable for unbounded environments, and present a novel, number theoretic approach to derive the grid parameters that maximise the coding range in the presence of noise. We derive an analytic upper bound on the coding range and provide examples for grid scales that achieve this bound and hence are optimal for encoding in unbounded environments.

Physical mechanism of δ-δ'-ε phase stability in plutonium.

Based on first-principle calculations, we have systematically explored the nature of the elastic stability and the δ-δ'-ε phase transitions in pure Pu at high temperature. It is found that, both the electron-phonon coupling and the spin fluctuation effects tend to decrease the tetragonal elastic constant (C') of δ-Pu, accounting for its anomalous softening at high temperature. The lattice thermal expansion together with the electron-phonon coupling can stiffen C' of ε-Pu, promoting its mechanical stability at high temperature.

First Principles Theory of the hcp-fcc Phase Transition in Cobalt.

Identifying the forces that drive a phase transition is always challenging. The hcp-fcc phase transition that occurs in cobalt at ~700 K has not yet been fully understood, although early theoretical studies have suggested that magnetism plays a main role in the stabilization of the fcc phase at high temperatures. Here, we perform a first principles study of the free energies of these two phases, which we break into contributions arising from the vibration of the lattice, electronic and magnetic systems and volume expansion.

On the multi-reference nature of plutonium oxides: PuO, PuO, PuO and PuO(OH).

Actinide-containing complexes present formidable challenges for electronic structure methods due to the large number of degenerate or quasi-degenerate electronic states arising from partially occupied 5f and 6d shells. Conventional multi-reference methods can treat active spaces that are often at the upper limit of what is required for a proper treatment of species with complex electronic structures, leaving no room for verifying their suitability. In this work we address the issue of properly defining the active spaces in such calculations, and introduce a protocol to determine optimal active spaces based on the use of the Density Matrix Renormalization Group algorithm and concepts of quantum information theory.

Shear-driven segregation of dry granular materials with different friction coefficients.

We report the first experimental demonstration of bulk segregation in a shear-driven dry granular mixture, where the particles only differ in their surface friction coefficients. We found that the smoother particles tend to sink to the bottom of the shear zone, while rough particles migrate to the top of the sample. This phenomenon is similar to the well known kinetic sieving in particle mixtures with size heterogeneity.

Outflow and clogging of shape-anisotropic grains in hoppers with small apertures.

Outflow of granular material through a small orifice is a fundamental process in many industrial fields, for example in silo discharge, and in everyday's life. Most experimental studies of the dynamics have been performed so far with monodisperse disks in two-dimensional (2D) hoppers or spherical grains in 3D. We investigate this process for shape-anisotropic grains in 3D hoppers and discuss the role of size and shape parameters on avalanche statistics, clogging states, and mean flow velocities.

Neural Variability and Sampling-Based Probabilistic Representations in the Visual Cortex.

Neural responses in the visual cortex are variable, and there is now an abundance of data characterizing how the magnitude and structure of this variability depends on the stimulus. Current theories of cortical computation fail to account for these data; they either ignore variability altogether or only model its unstructured Poisson-like aspects. We develop a theory in which the cortex performs probabilistic inference such that population activity patterns represent statistical samples from the inferred probability distribution.

Exchange-Correlation Catastrophe in Cu-Au: A Challenge for Semilocal Density Functional Approximations.

Semilocal density functional approximations occupy the second rung of the Jacob's ladder model and are thus expected to have certain limits to their applicability. A recent study [Y. Zhang, G.

Biasing a ferronematic - a new way to detect weak magnetic field.

The magnetic properties of a ferronematic, i.e., a nematic liquid crystal doped with magnetic nanoparticles in low volume concentration are studied, with the focus on the ac magnetic susceptibility.

Intra-cage dynamics of molecular hydrogen confined in cages of two different dimensions of clathrate hydrates.

In porous materials the molecular confinement is often realized by means of weak Van der Waals interactions between the molecule and the pore surface. The understanding of the mechanism of such interactions is important for a number of applications. In order to establish the role of the confinement size we have studied the microscopic dynamics of molecular hydrogen stored in the nanocages of clathrate hydrates of two different dimensions.

Segregation of granular mixtures in a spherical tumbler.

Segregation of polydisperse granular materials in rotating containers is a ubiquitous but still not satisfactorily understood phenomenon. This study describes axial segregation of bidisperse granular mixtures of glass beads in a spherical container, rotating about its horizontal axis. Depending on the filling fraction of the mixer and on the composition of the mixture, qualitatively different spontaneously formed patterns are observed.

Calcium buffer proteins are specific markers of human retinal neurons.

Ca(2+)-buffer proteins (CaBPs) modulate the temporal and spatial characteristics of transient intracellular Ca(2+)-concentration changes in neurons in order to fine-tune the strength and duration of the output signal. CaBPs have been used as neurochemical markers to identify and trace neurons of several brain loci including the mammalian retina. The CaBP content of retinal neurons, however, varies between species and, thus, the results inferred from animal models cannot be utilised directly by clinical ophthalmologists.

The ion microscope as a tool for quantitative measurements in the extreme ultraviolet.

We demonstrate a tool for quantitative measurements in the extreme ultraviolet (EUV) spectral region measuring spatially resolved atomic ionization products at the focus of an EUV beam. The ionizing radiation is a comb of the 11(th)-15(th) harmonics of a Ti:Sapphire femtosecond laser beam produced in a Xenon gas jet. The spatial ion distribution at the focus of the harmonics is recorded using an ion microscope.

Tuned Magnetic Properties of L1(0)-MnGa/Co(001) Films by Epitaxial Strain.

We demonstrate that the interface structure has a significant influence on the magnetic state of MnGa/Co films consisting of L1(0)-MnGa on face-centered-cubic Co(001) surface. We reveal an antiferromagnetic to ferromagnetic magnetization reversal as a function of the lateral lattice constant. The magnetization reversal mainly originates from localized states and weak hybridization at interface due to charge redistribution between muffin-tin spheres and interstitial region.

Tensile strain-induced softening of iron at high temperature.

In weakly ferromagnetic materials, already small changes in the atomic configuration triggered by temperature or chemistry can alter the magnetic interactions responsible for the non-random atomic-spin orientation. Different magnetic states, in turn, can give rise to substantially different macroscopic properties. A classical example is iron, which exhibits a great variety of properties as one gradually removes the magnetic long-range order by raising the temperature towards its Curie point of  TC°= 1043 K.

Thermal surface free energy and stress of iron.

Absolute values of surface energy and surface stress of solids are hardly accessible by experiment. Here, we investigate the temperature dependence of both parameters for the (001) and (110) surface facets of body-centered cubic Fe from first-principles modeling taking into account vibrational, electronic, and magnetic degrees of freedom. The monotonic decrease of the surface energies of both facets with increasing temperature is mostly due to lattice vibrations and magnetic disorder.

Signal Transduction Pathways of TNAP: Molecular Network Analyses.

Despite the growing body of evidence pointing on the involvement of tissue non-specific alkaline phosphatase (TNAP) in brain function and diseases like epilepsy and Alzheimer's disease, our understanding about the role of TNAP in the regulation of neurotransmission is severely limited. The aim of our study was to integrate the fragmented knowledge into a comprehensive view regarding neuronal functions of TNAP using objective tools. As a model we used the signal transduction molecular network of a pyramidal neuron after complementing with TNAP related data and performed the analysis using graph theoretic tools.

Ab initio-predicted micro-mechanical performance of refractory high-entropy alloys.

Recently developed high-entropy alloys (HEAs) consisting of multiple principal elements represent a new field of metallurgy and have demonstrated appealing properties for a wide range of applications. Using ab initio alloy theory, we reveal the alloying effect on the elastic properties and the ideal tensile strength (ITS) in the [001] direction of four body-centered cubic (bcc) refractory HEAs based on Zr, V, Ti, Nb, and Hf. We find that these HEAs show high elastic anisotropy and large positive Cauchy pressure, suggesting good extrinsic ductility.

Characterization of connexin36 gap junctions in the human outer retina.

Retinal connexins (Cx) form gap junctions (GJ) in key circuits that transmit average or synchronize signals. Expression of Cx36, -45, -50 and -57 have been described in many species but there is still a disconcerting paucity of information regarding the Cx makeup of human retinal GJs. We used well-preserved human postmortem samples to characterize Cx36 GJ constituent circuits of the outer plexiform layer (OPL).

Testing spontaneous wave-function collapse models on classical mechanical oscillators.

We show that the heating effect of spontaneous wave-function collapse models implies an experimentally significant increment ΔT(sp) of equilibrium temperature in a mechanical oscillator. The obtained new form ΔT(sp) is linear in the oscillator's relaxation time τ and independent of the mass. The oscillator can be in a classical thermal state, also the effect ΔT(sp) is classical for a wide range of frequencies and quality factors.

Communication: four-component density matrix renormalization group.

We present the first implementation of the relativistic quantum chemical two- and four-component density matrix renormalization group algorithm that includes a variational description of scalar-relativistic effects and spin-orbit coupling. Numerical results based on the four-component Dirac-Coulomb Hamiltonian are presented for the standard reference molecule for correlated relativistic benchmarks: thallium hydride.

General non-markovian structure of Gaussian master and stochastic Schrödinger equations.

General open quantum systems display memory features, their master equations are non-Markovian. We show that the subclass of Gaussian non-Markovian open system dynamics is tractable in a depth similar to the Markovian class. The structure of master equations exhibits a transparent generalization of the Lindblad structure.

Stratified organization and disorganization of inner plexiform layer revealed by TNAP activity in healthy and diabetic rat retina.

Tissue non-specific alkaline phosphatase (TNAP), an abundant ectophosphatase, is present in various organs including the brain and retina of several vertebrate species. Evidence is emerging that TNAP influences neural functions in multiple ways. In rat, strong TNAP activity has been found in retinal vessels, photoreceptors, and both synaptic layers.

Evolution of shear zones in granular materials.

The evolution of wide shear zones or shear bands was investigated experimentally and numerically for quasistatic dry granular flows in split bottom shear cells. We compare the behavior of materials consisting of beads, irregular grains, such as sand, and elongated particles. Shearing an initially random sample, the zone width was found to significantly decrease in the first stage of the process.

Electronic and optical properties of pure and modified diamondoids studied by many-body perturbation theory and time-dependent density functional theory.

Diamondoids are small diamond nanoparticles (NPs) that are built up from diamond cages. Unlike usual semiconductor NPs, their atomic structure is exactly known, thus they are ideal test-beds for benchmarking quantum chemical calculations. Their usage in spintronics and bioimaging applications requires a detailed knowledge of their electronic structure and optical properties.