High-Resolution, Real-Space Imaging of Conformational Structures of Poly-L-Proline Helixes

In 1954, Edsall postulated that the imino-acid proline, which is a frequently found constituent of protein molecules, is a key determinant to the three-dimensional architecture of proteins. It not only should play a fundamental role in stabilizing helical structures of polypeptides, it should allow for sharp bends and even for a complete reversal of the direction of a helix looping back on itself. No direct evidence has yet been published to prove this prediction. Using scanning tunneling microscopy, we have presented high-resolution, real-space images of two conformations of poly-L-proline, where one structure clearly exhibits the predicted 180° back-folding behavior. The measured length, 1.89 nm, of the repeating unit cells agrees with available X-ray data for poly-L-proline I with cis-peptide bonds. We further observe aggregated poly-L-proline II, consisting of highly-ordered, periodically and parallel-linked trans-peptide chains which are 2.4 nm apart from each other. Stacking of these aggregates with their orientation rotated by 90° is also observed

RHEA v1.0: Enabling fully coupled simulations with hydro-geomechanical heterogeneity

Realistic modelling of tightly coupled hydro-geomechanical processes is relevant for the assessment of many hydrological and geotechnical applications. Such processes occur in geologic formations and are influenced by natural heterogeneity. Current numerical libraries offer capabilities and physics couplings that have proven to be valuable in many geotechnical fields like gas storage, rock fracturing and Earth resources extraction. However, implementation and verification of the full heterogeneity of subsurface properties using high-resolution field data in coupled simulations has not been done before. We develop, verify and document RHEA (Real HEterogeneity App), an open-source, fully coupled, finite-element application capable of including element-resolution hydro-geomechanical properties in coupled simulations. To extend current modelling capabilities of the Multiphysics Object-Oriented Simulation Environment (MOOSE), we added new code that handles spatially distributed data of all hydro-geomechanical properties. We further propose a simple yet powerful workflow to facilitate the incorporation of such data to MOOSE. We then verify RHEA with analytical solutions in one and two dimensions and propose a benchmark semi-analytical problem to verify heterogeneous systems with sharp gradients. Finally, we demonstrate RHEA\u27s capabilities with a comprehensive example including realistic properties. With this we demonstrate that RHEA is a verified open-source application able to include complex geology to perform scalable, fully coupled, hydro-geomechanical simulations. Our work is a valuable tool to assess challenging real-world hydro-geomechanical systems that may include different levels of complexity like heterogeneous geology and sharp gradients produced by contrasting subsurface properties

Analysis of a turbine rotor containing a transverse crack at Oak Creek Unit 17

Transient increases in one, two and three per revolution vibration characteristics of a low pressure steam turbine were observed during steam temperature reduction operations. Vibration and fracture mechanics analyses suggested the presence of a transverse shaft crack which was eventually identified by ultrasonic inspection and confirmed by destructive sectioning. Signature analyses of vibration data recorded over a two-year period prior to crack identification are correlated with fatigue crack growth, which occurred intermittently during transient temperature decreases. The apparent increased response of the rotor to vibration is due to asymmetric stiffness changes introduced by the growing transverse crack. The vibration response is predicted to increase with increasing crack depths in excess of 10% of the shaft diameter. Fracture mechanics analyses predict that fatigue crack growth occurred during periods of steam temperature decrease, when high surface tensile stresses are present. These same transient thermal stresses are shown to have retarded and prevented subsequent fatigue crack growth during steady operation

Modelling the atmosphere of the carbon-rich Mira RU Vir

Context. We study the atmosphere of the carbon-rich Mira RU Vir using the mid-infrared high spatial resolution interferometric observations from VLTI/MIDI. Aims. The aim of this work is to analyse the atmosphere of the carbon-rich Mira RU Vir, with state of the art models, in this way deepening the knowledge of the dynamic processes at work in carbon-rich Miras. Methods. We compare spectro-photometric and interferometric measurements of this carbon-rich Mira AGB star, with the predictions of different kinds of modelling approaches (hydrostatic model atmospheres plus MOD-More Of Dusty, self-consistent dynamic model atmospheres). A geometric model fitting tool is used for a first interpretation of the interferometric data. Results. The results show that a joint use of different kind of observations (photometry, spectroscopy, interferometry) is essential to shed light on the structure of the atmosphere of a carbon-rich Mira. The dynamic model atmospheres fit well the ISO spectrum in the wavelength range {\lambda} = [2.9, 25.0] {\mu}m. Nevertheless, a discrepancy is noticeable both in the SED (visible), and in the visibilities (shape and level). A possible explanation are intra-/inter-cycle variations in the dynamic model atmospheres as well as in the observations. The presence of a companion star and/or a disk or a decrease of mass loss within the last few hundred years cannot be excluded but are considered unlikely.Comment: 15 pages. Accepted in A&

Groundwater flow system analysis in the regolith of Dodowa on the Accra Plains, Ghana

Study Region: Accra Plains. Study Focus: We conducted a field geology mapping, a well inventory exercise, used ERT, drilled boreholes at 8 locations (15–60 m depth), took drill core samples which we subjected to dilute acid leaching experiments, installed piezometers and equipped them with pressure transducers, analyzed tidal signals in high frequency groundwater hydrographs, carried out pumping tests, and, finally, took 49 groundwater samples. New Insights: Our results indicated a diverse groundwater system. On the one hand, groundwater was found at shallow depths in the saprolite of the Togo Structural Unit (TSU), which, in unweathered state, is composed of phyllites, schists, and quartzites. This system was shallow and predominantly unconfined, as revealed by tidal analysis. In addition, transmissivities of TSU saprolite, all in the order of < 6e-5 m2/s, reduced with depth, which indicated either the lack of a stratiform fractured layer or the presence of such layer beyond drilled depths. On the other hand, groundwater was found in fractures of the gneisses of the Dahomeyan Structural Unit (DSU). This system was potentially deeper, but DSU transmissivities were significantly lower than those of TSU saprolite. Hydrochemically, groundwater was mainly characterized by infiltration of wastewater, evidenced by elevated ion concentrations, including nitrate. Due to the thinly weathered basement, groundwater system development in the area is local and restricted to the Dodowa area

Algebraic characterization of X-states in quantum information

A class of two-qubit states called X-states are increasingly being used to discuss entanglement and other quantum correlations in the field of quantum information. Maximally entangled Bell states and "Werner" states are subsets of them. Apart from being so named because their density matrix looks like the letter X, there is not as yet any characterization of them. The su(2) X su(2) X u(1) subalgebra of the full su(4) algebra of two qubits is pointed out as the underlying invariance of this class of states. X-states are a seven-parameter family associated with this subalgebra of seven operators. This recognition provides a route to preparing such states and also a convenient algebraic procedure for analytically calculating their properties. At the same time, it points to other groups of seven-parameter states that, while not at first sight appearing similar, are also invariant under the same subalgebra. And it opens the way to analyzing invariant states of other subalgebras in bipartite systems.Comment: 4 pages, 1 figur

Are multiphase competition & order-by-disorder the keys to understanding Yb2Ti2O7?

If magnetic frustration is most commonly known for undermining long-range order, as famously illustrated by spin liquids, the ability of matter to develop new collective mechanisms in order to fight frustration is no less fascinating, providing an avenue for the exploration and discovery of unconventional properties of matter. Here we study an ideal minimal model of such mechanisms which, incidentally, pertains to the perplexing quantum spin ice candidate Yb2Ti2O7. Specifically, we explain how thermal and quantum fluctuations, optimized by order-by-disorder selection, conspire to expand the stability region of an accidentally degenerate continuous symmetry U(1) manifold against the classical splayed ferromagnetic ground state that is displayed by the sister compound Yb2Sn2O7. The resulting competition gives rise to multiple phase transitions, in striking similitude with recent experiments on Yb2Ti2O7 [Lhotel et al., Phys. Rev. B 89 224419 (2014)]. Considering the effective Hamiltonian determined for Yb2Ti2O7, we provide, by combining a gamut of numerical techniques, compelling evidence that such multiphase competition is the long-sought missing key to understanding the intrinsic properties of this material. As a corollary, our work offers a pertinent illustration of the influence of chemical pressure in rare-earth pyrochlores.Comment: 9 page