Electronic Structure Calculations with LDA+DMFT

The LDA+DMFT method is a very powerful tool for gaining insight into the physics of strongly correlated materials. It combines traditional ab-initio density-functional techniques with the dynamical mean-field theory. The core aspects of the method are (i) building material-specific Hubbard-like many-body models and (ii) solving them in the dynamical mean-field approximation. Step (i) requires the construction of a localized one-electron basis, typically a set of Wannier functions. It also involves a number of approximations, such as the choice of the degrees of freedom for which many-body effects are explicitly taken into account, the scheme to account for screening effects, or the form of the double-counting correction. Step (ii) requires the dynamical mean-field solution of multi-orbital generalized Hubbard models. Here central is the quantum-impurity solver, which is also the computationally most demanding part of the full LDA+DMFT approach. In this chapter I will introduce the core aspects of the LDA+DMFT method and present a prototypical application.Comment: 21 pages, 7 figures. Chapter of "Many-Electron Approaches in Physics, Chemistry and Mathematics: A Multidisciplinary View", eds. V. Bach and L. Delle Site, Springer 201

Nonadiabatic Dynamics of Ultracold Fermions in Optical Superlattices

We study the time-dependent dynamical properties of two-component ultracold fermions in a one-dimensional optical superlattice by applying the adaptive time-dependent density matrix renormalization group to a repulsive Hubbard model with an alternating superlattice potential. We clarify how the time evolution of local quantities occurs when the superlattice potential is suddenly changed to a normal one. For a Mott-type insulating state at quarter filling, the time evolution exhibits a profile similar to that expected for bosonic atoms, where correlation effects are less important. On the other hand, for a band-type insulating state at half filling, the strong repulsive interaction induces an unusual pairing of fermions, resulting in some striking properties in time evolution, such as a paired fermion co-tunneling process and the suppression of local spin moments. We further address the effect of a confining potential, which causes spatial confinement of the paired fermions.Comment: 4 pages, 5 figure

Mars Atmospheric Escape Recorded by H, C and O Isotope Ratios in Carbon Dioxide and Water Measured by the Sam Tunable Laser Spectrometer on the Curiosity Rover

Stable isotope ratios in C, H, N, O and S are powerful indicators of a wide variety of planetary geophysical processes that can identify origin, transport, temperature history, radiation exposure, atmospheric escape, environmental habitability and biological activity [2]. For Mars, measurements to date have indicated enrichment in all the heavier isotopes consistent with atmospheric escape processes, but with uncertainty too high to tie the results with the more precise isotopic ratios achieved from SNC meteoritic analyses. We will present results to date of H, C and O isotope ratios in CO2 and H2O made to high precision (few per mil) using the Tunable Laser Spectrometer (TLS) that is part of the Sample Analysis at Mars (SAM) instrument suite on MSL s Curiosity Rover

Signatures of Higgs Bosons in the Top Quark Decay Channel at Hadron Colliders

We analyze some signatures of neutral Higgs bosons, produced in high energy proton (anti)proton collisions, which decay primarily to top quarks. This channel is clouded by a large irreducible $t\bar t$ background. We investigate the $t\bar t$ invariant-mass distribution in the lepton+jets decay mode of $t\bar t$ and a $t\bar t$ spin-spin correlation in the dilepton decay mode. At the LHC such Higgs bosons can be detected in the $t\bar t$ invariant-mass spectrum, and the spin-spin correlation studied by us is also sensitive to a Higgs boson if this particle has a sizeable pseudoscalar component.Comment: LaTeX, 19 pages, 6 figure

Differential expression of mycobacterial antigen MPT64, apoptosis and inflammatory markers in multinucleated giant cells and epithelioid cells in granulomas caused by Mycobacterium tuberculosis

The development of granulomas is a major histopathological feature of tuberculosis. Very little information is available concerning the physiology and functions of different cell types in the tuberculous granulomas. The aim of this study was to compare the epithelioid cells (ECs) and multinucleated giant cells (MGCs) in the granulomas caused by Mycobacterium tuberculosis complex organisms. Lymph node biopsies from 30 cases of lymphadenitis were studied for expression of the secreted mycobacterial protein MPT64, caspase 3 as a marker of apoptosis, apoptosis-related proteins (Fas Ligand, Fas and Bax) and inflammatory cytokines (interleukin-10, transforming growth factor-β (TGF-β), tumour necrosis factor-α and interferon-γ) by immunohistochemistry. MGCs more often contained M. tuberculosis secretory antigen MPT64 (p < 0.001) and expressed more TGF-β (p = 0.004) than ECs. The total number of apoptotic MGCs was higher than the number of apoptotic ECs (p = 0.04). Interestingly, there was a significant negative correlation between apoptosis and MPT64 expression in MGCs (r = −0.569, p = 0.003), but not in ECs, implying that the heavy antigen load would lead to inhibition of apoptosis in these cells. When compared with ECs, higher percentage of MGCs expressed Fas Ligand and Fas (p < 0.004). The role of MGCs may thus be different from surrounding ECs and these cells by virtue of higher mycobacterial antigen load, more TGF-β and reduced apoptosis may contribute towards persistence of infection

Preliminary Interpretations of Atmospheric Stable Isotopes and Argon from Mars Science Laboratory (SAM)

Given the broad agreement between C, H, and O isotopic ratios in the modern atmosphere and the ALH 84001 meteorite, it is possible that these reservoirs were established after early atmospheric loss prior to 4 Ga. The preservation of these signals over this long period of history can be explained in several slightly different ways: 1) C, O, and H have remained static in the atmosphere and have not exchanged with the surface over the past 4 Ga; 2) C, O, and H in the atmosphere have potentially varied widely over history but have been continually buffered by larger reservoirs in the crust which have remained unchanged over the past 4 Ga. This second possibility allows for potentially large variations in atmospheric pressure to occur as CO2 is recycled back into the atmosphere from crustal reservoirs or degassed from the mantle

The imprint of atmospheric evolution in the D/H of Hesperian clay minerals on Mars

The deuterium to hydrogen (D/H) ratio in strongly bound water or hydroxyl groups in ancient martian clays retains the imprint of the water of formation of these minerals. Curiosity’s Sample Analysis at Mars (SAM) experiment measured thermally evolved water and hydrogen gas released between 550°C and 950°C from samples of Hesperian era Gale crater smectite to determine this isotope ratio. The D/H value is 3.0 (±0.2) times the ratio in Standard Mean Ocean Water (SMOW). The D/H ratio in this ~3 billion year old mudstone that is half that of the present martian atmosphere but substantially higher than that expected in very early Mars indicates an extended history of hydrogen escape and desiccation of the planet

Mars methane detection and variability at Gale crater

Reports of plumes or patches of methane in the martian atmosphere that vary over monthly time scales have defied explanation to date. From in situ measurements made over a 20-month period by the tunable laser spectrometer of the Sample Analysis at Mars instrument suite on Curiosity at Gale crater, we report detection of background levels of atmospheric methane of mean value 0.69 ± 0.25 parts per billion by volume (ppbv) at the 95% confidence interval (CI). This abundance is lower than model estimates of ultraviolet degradation of accreted interplanetary dust particles or carbonaceous chondrite material. Additionally, in four sequential measurements spanning a 60-sol period (where 1 sol is a martian day), we observed elevated levels of methane of 7.2 ± 2.1 ppbv (95% CI), implying that Mars is episodically producing methane from an additional unknown source

Методичні рекомендації з дисципліни „Вступ до педагогічної майстерності” для студентів інституту заочно-дистанційної освіти освітньо-кваліфікаційний рівень „Магістр”

Мета вивчення дисципліни «Вступ до педагогічної майстерності»: сформувати у студентів уявлення професійну майстерність педагога з огляду на умови викладання у вищих та середніх навчальних закладах. Курс спрямовано на ознайомлення зі специфікою навчального і виховного процесу в сучасних закладах освіти, надання студентам систематизованих знань із теоретичних засад педагогічної майстерності та формування практичних умінь і навичок забезпечення ефективності педагогічної взаємодії