Ferromagnetism in two band metals: Combined effect of Coulomb correlation, hybridization and band widths

We study the possibility of ferromagnetism in metals. The metal is described by two hybridized bands one of which includes Hubbard correlation whereas the other is uncorrelated. We parametrize the ratio of the band widths and their centers as well. The original Hamiltonian is transformed in an effective and simpler one. Only one site retains the full correlation (U) while in the others acts as an internal field, the self-energy, in the framework of an alloy analogy approximation. This field, in turn, is self-consistently determined by imposing the translational invariance of the problem. For several total electronic occupation numbers (n_{total}) we compare the spin dependent free energies with the corresponding paramagnetic ones. We present several results pointing out the mechanism by which the self-consistency introduces a sort of constraints, for given values of band width and band shift .Comment: 6 pages, 7 figure

New features of some proton-neutron collective states

Using a schematic solvable many-body Hamiltonian, one studies a new type of proton-neutron excitations within a time dependent variational approach. Classical equations of motion are linearized and subsequently solved analytically. The harmonic state energy is compared with the energy of the first excited state provided by diagonalization as well as with the energies obtained by a renormalized RPA and a boson expansion procedure. The new collective mode describes a wobbling motion, in the space of isospin, and collapses for a particle-particle interaction strength which is much larger than the physical value. A suggestion for the description of the system in the second nuclear phase is made. We identified the transition operators which might excite the new mode from the ground state.Comment: 28 pages and 3 figure

Puf3p induces translational repression of genes linked to oxidative stress

In response to stress, the translation of many mRNAs in yeast can change in a fashion discordant with the general repression of translation. Here, we use machine learning to mine the properties of these mRNAs to determine specific translation control signals. We find a strong association between transcripts acutely translationally repressed under oxidative stress and those associated with the RNA-binding protein Puf3p, a known regulator of cellular mRNAs encoding proteins targeted to mitochondria. Under oxidative stress, a PUF3 deleted strain exhibits more robust growth than wild-type cells and the shift in translation from polysomes to monosomes is attenuated, suggesting puf3Δ cells perceive less stress. In agreement, the ratio of reduced:oxidized glutathione, a major antioxidant and indicator of cellular redox state, is increased in unstressed puf3Δ cells but remains lower under stress. In untreated conditions, Puf3p migrates with polysomes rather than ribosome-free fractions, but this is lost under stress. Finally, reverse transcriptase-polymerase chain reaction (RT-PCR) of Puf3p targets following affinity purification shows Puf3p-mRNA associations are maintained or increased under oxidative stress. Collectively, these results point to Puf3p acting as a translational repressor in a manner exceeding the global translational response, possibly by temporarily limiting synthesis of new mitochondrial proteins as cells adapt to the stress

Mathematical and computational models of drug transport in tumours

The ability to predict how far a drug will penetrate into the tumour microenvironment within its pharmacokinetic (PK) lifespan would provide valuable information about therapeutic response. As the PK profile is directly related to the route and schedule of drug administration, an in silico tool that can predict the drug administration schedule that results in optimal drug delivery to tumours would streamline clinical trial design. This paper investigates the application of mathematical and computational modelling techniques to help improve our understanding of the fundamental mechanisms underlying drug delivery, and compares the performance of a simple model with more complex approaches. Three models of drug transport are developed, all based on the same drug binding model and parametrized by bespoke in vitro experiments. Their predictions, compared for a ‘tumour cord’ geometry, are qualitatively and quantitatively similar. We assess the effect of varying the PK profile of the supplied drug, and the binding affinity of the drug to tumour cells, on the concentration of drug reaching cells and the accumulated exposure of cells to drug at arbitrary distances from a supplying blood vessel. This is a contribution towards developing a useful drug transport modelling tool for informing strategies for the treatment of tumour cells which are ‘pharmacokinetically resistant’ to chemotherapeutic strategies

Ferromagnetism and phase separation in one-dimensional d-p and periodic Anderson models

Using the Density Matrix Renormalization Group, we study metallic ferromagnetism in a one-dimensional copper-oxide model which contains one oxygen p-orbital and one copper d-orbital. The parameters for the d-p model can be chosen so that it is similar to the one-dimensional periodic Anderson model. For these parameters, we compare the ground-state phase diagram with that of the Anderson model and find a ferromagnetic region analogous to one found in the Anderson model, but which is pushed to somewhat higher densities and interaction strengths. In both models, we find a region within the ferromagnetic phase in which phase separation between a localized ferromagnetic domain and a weakly antiferromagnetic regime occurs. We then choose a set of parameter values appropriate for copper-oxide materials and explore the ground-state phase diagram as a function of the oxygen-oxygen hopping strength and the electron density. We find three disconnected regions of metallic ferromagnetism and give physical pictures of the three different mechanisms for ferromagnetism in these phases.Comment: 12 pages (RevTeX), 12 figures (EPS

Magnetic and Dynamic Properties of the Hubbard Model in Infinite Dimensions

An essentially exact solution of the infinite dimensional Hubbard model is made possible by using a self-consistent mapping of the Hubbard model in this limit to an effective single impurity Anderson model. Solving the latter with quantum Monte Carlo procedures enables us to obtain exact results for the one and two-particle properties of the infinite dimensional Hubbard model. In particular we find antiferromagnetism and a pseudogap in the single-particle density of states for sufficiently large values of the intrasite Coulomb interaction at half filling. Both the antiferromagnetic phase and the insulating phase above the N\'eel temperature are found to be quickly suppressed on doping. The latter is replaced by a heavy electron metal with a quasiparticle mass strongly dependent on doping as soon as $n<1$. At half filling the antiferromagnetic phase boundary agrees surprisingly well in shape and order of magnitude with results for the three dimensional Hubbard model.Comment: 32 page

Digital Quantum Simulation with Rydberg Atoms

We discuss in detail the implementation of an open-system quantum simulator with Rydberg states of neutral atoms held in an optical lattice. Our scheme allows one to realize both coherent as well as dissipative dynamics of complex spin models involving many-body interactions and constraints. The central building block of the simulation scheme is constituted by a mesoscopic Rydberg gate that permits the entanglement of several atoms in an efficient, robust and quick protocol. In addition, optical pumping on ancillary atoms provides the dissipative ingredient for engineering the coupling between the system and a tailored environment. As an illustration, we discuss how the simulator enables the simulation of coherent evolution of quantum spin models such as the two-dimensional Heisenberg model and Kitaev's toric code, which involves four-body spin interactions. We moreover show that in principle also the simulation of lattice fermions can be achieved. As an example for controlled dissipative dynamics, we discuss ground state cooling of frustration-free spin Hamiltonians.Comment: submitted to special issue "Quantum Information with Neutral Particles" of "Quantum Information Processing

Computational Physics on Graphics Processing Units

The use of graphics processing units for scientific computations is an emerging strategy that can significantly speed up various different algorithms. In this review, we discuss advances made in the field of computational physics, focusing on classical molecular dynamics, and on quantum simulations for electronic structure calculations using the density functional theory, wave function techniques, and quantum field theory.Comment: Proceedings of the 11th International Conference, PARA 2012, Helsinki, Finland, June 10-13, 201

Horizontal Branch Stars: The Interplay between Observations and Theory, and Insights into the Formation of the Galaxy

We review HB stars in a broad astrophysical context, including both variable and non-variable stars. A reassessment of the Oosterhoff dichotomy is presented, which provides unprecedented detail regarding its origin and systematics. We show that the Oosterhoff dichotomy and the distribution of globular clusters (GCs) in the HB morphology-metallicity plane both exclude, with high statistical significance, the possibility that the Galactic halo may have formed from the accretion of dwarf galaxies resembling present-day Milky Way satellites such as Fornax, Sagittarius, and the LMC. A rediscussion of the second-parameter problem is presented. A technique is proposed to estimate the HB types of extragalactic GCs on the basis of integrated far-UV photometry. The relationship between the absolute V magnitude of the HB at the RR Lyrae level and metallicity, as obtained on the basis of trigonometric parallax measurements for the star RR Lyrae, is also revisited, giving a distance modulus to the LMC of (m-M)_0 = 18.44+/-0.11. RR Lyrae period change rates are studied. Finally, the conductive opacities used in evolutionary calculations of low-mass stars are investigated. [ABRIDGED]Comment: 56 pages, 22 figures. Invited review, to appear in Astrophysics and Space Scienc

On the use of a single site approximation to describe correlation in pure metals

The magnetic properties of pure transition-like metals are discussed within the single site approximation, to take into account the electron correlation. The metal is described by two hybridized bands one of which includes the Coulomb correlation. Our results indicate that ferromagnetism follows from adequate values of the correlation and hybridization.Comment: 2 pages and 2 figure