1,982 research outputs found

    Built-in reduction of statistical fluctuations of partitioning objects

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    Our theoretical and numerical investigation of the movement of an object that partitions a microtubule filled with small particles indicates that vibrations warranted by thermal equilibrium are reached only after a time that increases exponentially with the number of particles involved. This points to a basic mechanical process capable of breaching, on accessible time scales, the ultimate ergodic constraints that force randomness on bound microscale and nanoscale systems

    Surfaces with surjective endomorphisms of any given degree

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    We present a complete classification of complex projective surfaces X with nontrivial self-maps (i.e. surjective morphisms f:X→X which are not isomorphisms) of any given degree. The starting point of our classification are results contained in Fujimoto and Nakayama that provide a list of surfaces that admit at least one nontrivial self-map. We then proceed by a case by case analysis that blends geometrical and arithmetical arguments in order to exclude that certain prime numbers appear as degrees of nontrivial self-maps of certain surfaces

    Reduced Density-Matrix Functional Theory: correlation and spectroscopy

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    In this work we explore the performance of approximations to electron correlation in reduced density-matrix functional theory (RDMFT) and of approximations to the observables calculated within this theory. Our analysis focuses on the calculation of total energies, occupation numbers, removal/addition energies, and spectral functions. We use the exactly solvable Hubbard molecule at 1/4 and 1/2 filling as test systems. This allows us to analyze the underlying physics and to elucidate the origin of the observed trends. For comparison we also report the results of the GWGW approximation, where the self-energy functional is approximated, but no further hypothesis are made concerning the approximations of the observables. In particular we focus on the atomic limit, where the two sites of the molecule are pulled apart and electrons localize on either site with equal probability, unless a small perturbation is present: this is the regime of strong electron correlation. In this limit, using the Hubbard molecule at 1/2 filling with or without a spin-symmetry-broken ground state, allows us to explore how degeneracies and spin-symmetry breaking are treated in RDMFT. We find that, within the used approximations, neither in RDMFT nor in GWGW the signature of strong correlation are present in the spin-singlet ground state, whereas both give the exact result for the spin-symmetry broken case. Moreover we show how the spectroscopic properties change from one spin structure to the other. Our findings can be generalized to other situations, which allows us to make connections to real materials and experiment

    Introduction

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    Non-covalent interactions in organotin(IV) derivatives of 5,7-ditertbutyl- and 5,7-diphenyl-1,2,4-triazolo[1,5-a]pyrimidine as recognition motifs in crystalline self- assembly and their in vitro antistaphylococcal activity

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    Non-covalent interactions are known to play a key role in biological compounds due to their stabilization of the tertiary and quaternary structure of proteins [1]. Ligands similar to purine rings, such as triazolo pyrimidine ones, are very versatile in their interactions with metals and can act as model systems for natural bio-inorganic compounds [2]. A considerable series (twelve novel compounds are reported) of 5,7-ditertbutyl-1,2,4-triazolo[1,5-a]pyrimidine (dbtp) and 5,7-diphenyl- 1,2,4-triazolo[1,5-a]pyrimidine (dptp) were synthesized and investigated by FT-IR and 119Sn M\uf6ssbauer in the solid state and by 1H and 13C NMR spectroscopy, in solution [3]. The X-ray crystal and molecular structures of Et2SnCl2(dbtp)2 and Ph2SnCl2(EtOH)2(dptp)2 were described, in this latter pyrimidine molecules are not directly bound to the metal center but strictly H-bonded, through N(3), to the -OH group of the ethanol moieties. The network of hydrogen bonding and aromatic interactions involving pyrimidine and phenyl rings in both complexes drives their self-assembly. Noncovalent interactions involving aromatic rings are key processes in both chemical and biological recognition, contributing to overall complex stability and forming recognition motifs. It is noteworthy that in Ph2SnCl2(EtOH)2(dptp)2 \u3c0\u2013\u3c0 stacking interactions between pairs of antiparallel triazolopyrimidine rings mimick basepair interactions physiologically occurring in DNA (Fig.1). M\uf6ssbauer spectra suggest for Et2SnCl2(dbtp)2 a distorted octahedral structure, with C-Sn-C bond angles lower than 180\ub0. The estimated angle for Et2SnCl2(dbtp)2 is virtually identical to that determined by X-ray diffraction. Ph2SnCl2(EtOH)2(dptp)2 is characterized by an essentially linear C-Sn-C fragment according to the X-ray all-trans structure. The compounds were screened for their in vitro antibacterial activity on a group of reference staphylococcal strains susceptible or resistant to methicillin and against two reference Gramnegative pathogens [4] . We tested the biological activity of all the specimen against a group of staphylococcal reference strains (S. aureus ATCC 25923, S. aureus ATCC 29213, methicillin resistant S. aureus 43866 and S. epidermidis RP62A) along with Gram-negative pathogens (P. aeruginosa ATCC9027 and E. coli ATCC25922). Ph2SnCl2(EtOH)2(dptp)2 showed good antibacterial activity with a MIC value of 5 \u3bcg mL-1 against S. aureus ATCC29213 and also resulted active against methicillin resistant S. epidermidis RP62A

    Nonlinear current-voltage characteristics due to quantum tunneling of phase slips in superconducting Nb nanowire networks

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    We report on the transport properties of an array of N about 30 interconnected Nb nanowires, grown by sputtering on robust porous Si substrates. The analyzed system exhibits a broad resistive transition in zero magnetic field, H, and highly nonlinear V(I) characteristics as a function of H which can be both consistently described by quantum tunneling of phase slips.Comment: accepted for publication on Appl. Phys. Let

    Speed limit to the Abrikosov lattice in mesoscopic superconductors

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    We study the instability of the superconducting state in a mesoscopic geometry for the low pinning material Mo3_3Ge characterized by a large Ginzburg-Landau parameter. We observe that in the current driven switching to the normal state from a nonlinear region of the Abrikosov flux flow, the mean critical vortex velocity reaches a limiting maximum velocity as a function of the applied magnetic field. Based on time dependent Ginzburg-Landau simulations we argue that the observed behavior is due to the high velocity vortex dynamics confined on a mesoscopic scale. We build up a general phase diagram which includes all possible dynamic configurations of Abrikosov lattice in a mesoscopic superconductor.Comment: 7 pages, 6 figure

    Screened extended Koopmans' theorem: photoemission at weak and strong correlation

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    By introducing electron screening in the extended Koopmans' theorem we correctly describe the band gap opening in weakly as well as strongly correlated systems. We show this by applying our method to bulk LiH, Si, and paramagnetic as well as antiferromagnetic NiO. Although incorrect features remain in the full photoemission spectra, this is a remarkable result for an ab-initio electronic structure method and it opens the way to a unified description of photoemission spectra at weak and strong correlation
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