Spin- and charge-density waves in the Hartree-Fock ground state of the two-dimensional Hubbard model

The ground states of the two-dimensional repulsive Hubbard model are studied within the unrestricted Hartree-Fock (UHF) theory. Magnetic and charge properties are determined by systematic, large-scale, exact numerical calculations, and quantified as a function of electron doping $h$. In the solution of the self-consistent UHF equations, multiple initial configurations and simulated annealing are used to facilitate convergence to the global minimum. New approaches are employed to minimize finite-size effects in order to reach the thermodynamic limit. At low to moderate interacting strengths and low doping, the UHF ground state is a linear spin-density wave (l-SDW), with antiferromagnetic order and a modulating wave. The wavelength of the modulating wave is $2/h$. Corresponding charge order exists but is substantially weaker than the spin order, hence holes are mobile. As the interaction is increased, the l-SDW states evolves into several different phases, with the holes eventually becoming localized. A simple pairing model is presented with analytic calculations for low interaction strength and small doping, to help understand the numerical results and provide a physical picture for the properties of the SDW ground state. By comparison with recent many-body calculations, it is shown that, for intermediate interactions, the UHF solution provides a good description of the magnetic correlations in the true ground state of the Hubbard model.Comment: 13 pages, 17 figure, 0 table

Role of preferential weak hybridization between the surface-state of a metal and the oxygen atom in the chemical adsorption mechanism

We report on the chemical adsorption mechanism of atomic oxygen on the Pt(111) surface using angle-resolved-photoemission spectroscopy (ARPES) and density functional calculations. The detailed band structure of Pt(111) from ARPES reveals that most of the bands near the Fermi level are surface-states. By comparing band maps of Pt and O/Pt, we identify that dxz (dyz) and dz2 orbitals are strongly correlated in the surface-states around the symmetry point M and K, respectively. Additionally, we demonstrate that the s- or p-orbital of oxygen atoms hybridizes preferentially with the dxz (dyz) orbital near the M symmetry point. This weak hybridization occurs with minimal charge transfer

Effective screening and the plasmaron bands in Graphene.

Electron-plasmon coupling in graphene has been shown recently to give rise to a “plasmaron” quasiparticle excitation. The strength of this coupling has been predicted to depend on the effective screening, which in turn is expected to depend on the dielectric environment of the graphene sheet. Here we compare the strength of environmental screening for graphene on four different substrates by evaluating the separation of the plasmaron bands from the hole bands using angle-resolved photoemission spectroscopy. Comparison with G0W-random phase approximation predictions are used to determine the effective dielectric constant of the underlying substrate layer. We also show that plasmaron and electronic properties of graphene can be independently manipulated, an important aspect of a possible use in “plasmaronic” devices

A Possible Detection of Occultation by a Proto-planetary Clump in GM Cephei

GM Cep in the young (~4 Myr) open cluster Trumpler 37 has been known to be an abrupt variable and to have a circumstellar disk with very active accretion. Our monitoring observations in 2009-2011 revealed the star to show sporadic flare events, each with brightening of < 0.5 mag lasting for days. These brightening events, associated with a color change toward the blue, should originate from an increased accretion activity. Moreover, the star also underwent a brightness drop of ~1 mag lasting for about a month, during which the star became bluer when fainter. Such brightness drops seem to have a recurrence time scale of a year, as evidenced in our data and the photometric behavior of GM Cep over a century. Between consecutive drops, the star brightened gradually by about 1 mag and became blue at peak luminosity. We propose that the drop is caused by obscuration of the central star by an orbiting dust concentration. The UX Orionis type of activity in GM Cep therefore exemplifies the disk inhomogeneity process in transition between grain coagulation and planetesimal formation in a young circumstellar disk.Comment: In submission to the Astrophysical Journal, 4 figure

Efficient and accurate simulations of deformable particles immersed in a fluid using a combined immersed boundary lattice Boltzmann finite element method

The deformation of an initially spherical capsule, freely suspended in simple shear flow, can be computed analytically in the limit of small deformations [D. Barthes-Biesel, J. M. Rallison, The Time-Dependent Deformation of a Capsule Freely Suspended in a Linear Shear Flow, J. Fluid Mech. 113 (1981) 251-267]. Those analytic approximations are used to study the influence of the mesh tessellation method, the spatial resolution, and the discrete delta function of the immersed boundary method on the numerical results obtained by a coupled immersed boundary lattice Boltzmann finite element method. For the description of the capsule membrane, a finite element method and the Skalak constitutive model [R. Skalak et al., Strain Energy Function of Red Blood Cell Membranes, Biophys. J. 13 (1973) 245-264] have been employed. Our primary goal is the investigation of the presented model for small resolutions to provide a sound basis for efficient but accurate simulations of multiple deformable particles immersed in a fluid. We come to the conclusion that details of the membrane mesh, as tessellation method and resolution, play only a minor role. The hydrodynamic resolution, i.e., the width of the discrete delta function, can significantly influence the accuracy of the simulations. The discretization of the delta function introduces an artificial length scale, which effectively changes the radius and the deformability of the capsule. We discuss possibilities of reducing the computing time of simulations of deformable objects immersed in a fluid while maintaining high accuracy.Comment: 23 pages, 14 figures, 3 table

The polo-like kinase 1 (PLK1) inhibitor NMS-P937 is effective in a new model of disseminated primary CD56+ acute monoblastic leukaemia

CD56 is expressed in 15–20% of acute myeloid leukaemias (AML) and is associated with extramedullary diffusion, multidrug resistance and poor prognosis. We describe the establishment and characterisation of a novel disseminated model of AML (AML-NS8), generated by injection into mice of leukaemic blasts freshly isolated from a patient with an aggressive CD56+ monoblastic AML (M5a). The model reproduced typical manifestations of this leukaemia, including presence of extramedullary masses and central nervous system involvement, and the original phenotype, karyotype and genotype of leukaemic cells were retained in vivo. Recently Polo-Like Kinase 1 (PLK1) has emerged as a new candidate drug target in AML. We therefore tested our PLK1 inhibitor NMS-P937 in this model either in the engraftment or in the established disease settings. Both schedules showed good efficacy compared to standard therapies, with a significant increase in median survival time (MST) expecially in the established disease setting (MST = 28, 36, 62 days for vehicle, cytarabine and NMS-P937, respectively). Importantly, we could also demonstrate that NMS-P937 induced specific biomarker modulation in extramedullary tissues. This new in vivo model of CD56+ AML that recapitulates the human tumour lends support for the therapeutic use of PLK1 inhibitors in AML

An extracellular steric seeding mechanism for Eph-ephrin signaling platform assembly

Erythropoetin-producing hepatoma (Eph) receptors are cell-surface protein tyrosine kinases mediating cell-cell communication. Upon activation, they form signaling clusters. We report crystal structures of the full ectodomain of human EphA2 (eEphA2) both alone and in complex with the receptor-binding domain of the ligand ephrinA5 (ephrinA5 RBD). Unliganded eEphA2 forms linear arrays of staggered parallel receptors involving two patches of residues conserved across A-class Ephs. eEphA2-ephrinA5 RBD forms a more elaborate assembly, whose interfaces include the same conserved regions on eEphA2, but rearranged to accommodate ephrinA5 RBD. Cell-surface expression of mutant EphA2s showed that these interfaces are critical for localization at cell-cell contacts and activation-dependent degradation. Our results suggest a 'nucleation' mechanism whereby a limited number of ligand-receptor interactions 'seed' an arrangement of receptors which can propagate into extended signaling arrays

The electronic structure of amorphous silica: A numerical study

We present a computational study of the electronic properties of amorphous SiO2. The ionic configurations used are the ones generated by an earlier molecular dynamics simulations in which the system was cooled with different cooling rates from the liquid state to a glass, thus giving access to glass-like configurations with different degrees of disorder [Phys. Rev. B 54, 15808 (1996)]. The electronic structure is described by a tight-binding Hamiltonian. We study the influence of the degree of disorder on the density of states, the localization properties, the optical absorption, the nature of defects within the mobility gap, and on the fluctuations of the Madelung potential, where the disorder manifests itself most prominently. The experimentally observed mismatch between a photoconductivity threshold of 9 eV and the onset of the optical absorption around 7 eV is interpreted by the picture of eigenstates localized by potential energy fluctuations in a mobility gap of approximately 9 eV and a density of states that exhibits valence and conduction band tails which are, even in the absence of defects, deeply located within the former band gap.Comment: 21 pages of Latex, 5 eps figure

Use of the α-mannosidase I inhibitor kifunensine allows the crystallization of apo CTLA-4 homodimer produced in long-term cultures of Chinese hamster ovary cells

The α-mannosidase I inhibitor kifunensine inhibited N-glycan processing in long-term cultures of Chinese hamster ovary cells, allowing deglycosylation and crystallization of the homodimeric extracellular region of the inhibitory glycoprotein receptor CTLA-4 (CD152)

Comparison of Local Analysis Strategies for Exudate Detection in Fundus Images

Diabetic Retinopathy (DR) is a severe and widely spread eye disease. Exudates are one of the most prevalent signs during the early stage of DR and an early detection of these lesions is vital to prevent the patient’s blindness. Hence, detection of exudates is an important diagnostic task of DR, in which computer assistance may play a major role. In this paper, a system based on local feature extraction and Support Vector Machine (SVM) classification is used to develop and compare different strategies for automated detection of exudates. The main novelty of this work is allowing the detection of exudates using non-regular regions to perform the local feature extraction. To accomplish this objective, different methods for generating superpixels are applied to the fundus images of E-OPHTA database and texture and morphological features are extracted for each of the resulting regions. An exhaustive comparison among the proposed methods is also carried out.This paper was supported by the European Union’s Horizon 2020 research and innovation programme under the Project GALAHAD [H2020-ICT2016-2017, 732613]. The work of Adri´an Colomer has been supported by the Spanish Government under a FPI Grant [BES-2014-067889]. We gratefully acknowledge the support of NVIDIA Corporation with the donation of the Titan Xp GPU used for this research.Pereira, J.; Colomer, A.; Naranjo Ornedo, V. (2018). Comparison of Local Analysis Strategies for Exudate Detection in Fundus Images. En Intelligent Data Engineering and Automated Learning – IDEAL 2018. Springer. 174-183. https://doi.org/10.1007/978-3-030-03493-1_19S174183Sidibé, D., Sadek, I., Mériaudeau, F.: Discrimination of retinal images containing bright lesions using sparse coded features and SVM. Comput. Biol. 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