Spectral and transport properties of doped Mott-Hubbard systems with incommensurate magnetic order

We present spectral and optical properties of the Hubbard model on a two-dimensional square lattice using a generalization of dynamical mean-field theory to magnetic states in finite dimension. The self-energy includes the effect of spin fluctuations and screening of the Coulomb interaction due to particle-particle scattering. At half-filling the quasiparticles reduce the width of the Mott-Hubbard `gap' and have dispersions and spectral weights that agree remarkably well with quantum Monte Carlo and exact diagonalization calculations. Away from half-filling we consider incommensurate magnetic order with a varying local spin direction, and derive the photoemission and optical spectra. The incommensurate magnetic order leads to a pseudogap which opens at the Fermi energy and coexists with a large Mott-Hubbard gap. The quasiparticle states survive in the doped systems, but their dispersion is modified with the doping and a rigid band picture does not apply. Spectral weight in the optical conductivity is transferred to lower energies and the Drude weight increases linearly with increasing doping. We show that incommensurate magnetic order leads also to mid-gap states in the optical spectra and to decreased scattering rates in the transport processes, in qualitative agreement with the experimental observations in doped systems. The gradual disappearence of the spiral magnetic order and the vanishing pseudogap with increasing temperature is found to be responsible for the linear resistivity. We discuss the possible reasons why these results may only partially explain the features observed in the optical spectra of high temperature superconductors.Comment: 22 pages, 18 figure

Grain Surface Models and Data for Astrochemistry

AbstractThe cross-disciplinary field of astrochemistry exists to understand the formation, destruction, and survival of molecules in astrophysical environments. Molecules in space are synthesized via a large variety of gas-phase reactions, and reactions on dust-grain surfaces, where the surface acts as a catalyst. A broad consensus has been reached in the astrochemistry community on how to suitably treat gas-phase processes in models, and also on how to present the necessary reaction data in databases; however, no such consensus has yet been reached for grain-surface processes. A team of ∼25 experts covering observational, laboratory and theoretical (astro)chemistry met in summer of 2014 at the Lorentz Center in Leiden with the aim to provide solutions for this problem and to review the current state-of-the-art of grain surface models, both in terms of technical implementation into models as well as the most up-to-date information available from experiments and chemical computations. This review builds on the results of this workshop and gives an outlook for future directions

The inverse problem of determining the filtration function and permeability reduction in flow of water with particles in porous media

The original publication can be found at www.springerlink.comDeep bed filtration of particle suspensions in porous media occurs during water injection into oil reservoirs, drilling fluid invasion of reservoir production zones, fines migration in oil fields, industrial filtering, bacteria, viruses or contaminants transport in groundwater etc. The basic features of the process are particle capture by the porous medium and consequent permeability reduction. Models for deep bed filtration contain two quantities that represent rock and fluid properties: the filtration function, which is the fraction of particles captured per unit particle path length, and formation damage function, which is the ratio between reduced and initial permeabilities. These quantities cannot be measured directly in the laboratory or in the field; therefore, they must be calculated indirectly by solving inverse problems. The practical petroleum and environmental engineering purpose is to predict injectivity loss and particle penetration depth around wells. Reliable prediction requires precise knowledge of these two coefficients. In this work we determine these quantities from pressure drop and effluent concentration histories measured in one-dimensional laboratory experiments. The recovery method consists of optimizing deviation functionals in appropriate subdomains; if necessary, a Tikhonov regularization term is added to the functional. The filtration function is recovered by optimizing a non-linear functional with box constraints; this functional involves the effluent concentration history. The permeability reduction is recovered likewise, taking into account the filtration function already found, and the functional involves the pressure drop history. In both cases, the functionals are derived from least square formulations of the deviation between experimental data and quantities predicted by the model.Alvarez, A. C., Hime, G., Marchesin, D., Bedrikovetski, P

Linear Collider Physics Resource Book for Snowmass 2001, 3: Studies of Exotic and Standard Model Physics

This Resource Book reviews the physics opportunities of a next-generation e+e- linear collider and discusses options for the experimental program. Part 3 reviews the possible experiments on that can be done at a linear collider on strongly coupled electroweak symmetry breaking, exotic particles, and extra dimensions, and on the top quark, QCD, and two-photon physics. It also discusses the improved precision electroweak measurements that this collider will make available.This Resource Book reviews the physics opportunities of a next-generation e+e- linear collider and discusses options for the experimental program. Part 3 reviews the possible experiments on that can be done at a linear collider on strongly coupled electroweak symmetry breaking, exotic particles, and extra dimensions, and on the top quark, QCD, and two-photon physics. It also discusses the improved precision electroweak measurements that this collider will make available

Evolution of microstructure and crystallographic texture during dissimilar friction stir welding of duplex stainless steel to low carbon-manganese structural steel

Electron backscattered diffraction (EBSD) was used to analyze the evolution of microstructure and crystallographic texture during friction stir welding of dissimilar type 2205 duplex stainless steel (DSS) to type S275 low carbon-manganese structural steel. The results of microstructural analyses show that the temperature in the center of stirred zone reached temperatures between Ac 1 and Ac 3 during welding, resulting in a minor ferrite-to-austenite phase transformation in the S275 steel, and no changes in the fractions of ferrite and austenite in the DSS. Temperatures in the thermomechanically affected and shoulder-affected zones of both materials, in particular toward the root of the weld, did not exceed the Ac 1 of S275 steel. The shear generated by the friction between the material and the rotating probe occurred in austenitic/ferritic phase field of the S275 and DSS. In the former, the transformed austenite regions of the microstructure were transformed to acicular ferrite, on cooling, while the dual-phase austenitic/ferritic structure of the latter was retained. Studying the development of crystallographic textures with regard to shear flow lines generated by the probe tool showed the dominance of simple shear components across the whole weld in both materials. The ferrite texture in S275 steel was dominated by D 1, D 2, E, E¯ , and F, where the fraction of acicular ferrite formed on cooling showed a negligible deviation from the texture for the ideal shear texture components of bcc metals. The ferrite texture in DSS was dominated by D 1, D 2, I, I¯ , and F, and that of austenite was dominated by the A, A¯ , B, and B¯ of the ideal shear texture components for bcc and fcc metals, respectively. While D 1, D 2, and F components of the ideal shear texture are common between the ferrite in S275 steel and that of dual-phase DSS, the preferential partitioning of strain into the ferrite phase of DSS led to the development of I and I¯ components in DSS, as opposed to E and E¯ in the S275 steel. The formations of fine and ultrafine equiaxed grains were observed in different regions of both materials that are believed to be due to strain-induced continuous dynamic recrystallization (CDRX) in ferrite of both DSS and S275 steel, and discontinuous dynamic recrystallization (DDRX) in austenite phase of DSS

Simultaneous analysis of 22 antiepileptic drugs in postmortem blood, serum and plasma using LC-MS-MS with a focus on their role in forensic cases

In recent years, there has been a growth in reports of antiepileptic drugs (AEDs) being misused on their own or in combination with other drugs of abuse in a variety of toxicological case types such as drug abuse, suicide, overdose and drug facilitated crime. To our knowledge, there are no simultaneous quantification methods for the analysis of the most commonly encountered AEDs in postmortem whole blood and clinical plasma/serum samples at the same time. A simple, accurate and cost-effective liquid chromatography–tandem mass spectrometric (LC–MS-MS) method has been developed and validated for the simultaneous quantification of carbamazepine (CBZ) and its metabolite CBZ-10,11-epoxide, eslicarbazepine acetate, oxcarbazepine and S-licarbazepine as a metabolite, gabapentin, lacosamide, lamotrigine, levetiracetam, pregabalin, phenobarbital, phenytoin and its metabolite 5-(p-hydroxyphenyl)-5-phenylhydantoin, retigabine (ezogabine) and its metabolite N-acetyl retigabine, rufinamide, stiripentol, topiramate, tiagabine, valproic acid, vigabatrin and zonisamide in postmortem whole blood, serum and plasma which would be suitable for routine forensic toxicological analysis and therapeutic drug monitoring. All AEDs were detected and quantified within 17 min without endogenous interferences. The correlation coefficient (R2) was >0.995 for all AEDs with accuracy ranging from 90 to 113% and precision <13% for all analytes. The recovery ranged from 70 to 98%. No carryover was observed in a blank control injected after the highest standard and the matrix effect was acceptable and ranged from 90 to 120%. The method has been successfully verified using authentic case samples that had previously been quantified using different methods