Thermodynamically consistent temperature prediction in dissipative solids

The present work deals with the thermomechanical coupling in dissipative solids and the consistent temperature prediction. One of the first works dealing with this subject was written by Taylor & Quinney (TQ) where the fraction between dissipated energy eventually transformed to heat and plastic work is assumed as constant (typically between 0.8-1.0 for metals). Although this assumption often leads to reasonable temperature predictions, it is not always in agreement with experimental observations. Furthermore, the TQ model does not comply with the first and second law of thermodynamics in general. Unfortunately, a standard thermodynamically consistent framework is not convincing either, since it usually leads to a significant overprediction of the temperature increase during dissipative processes. Within the present work, a novel framework suitable for the modeling of thermomechanically coupled processes is discussed. It will be shown that this framework is thermodynamically consistent and leads to a temperature increase, as a result of plastic deformation, in good agreement with the underlying experiments. (© 2013 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Prime ends for domains in metric spaces

In this paper we propose a new definition of prime ends for domains in metric spaces under rather general assumptions. We compare our prime ends to those of Carathéodory and Näkki. Modulus ends and prime ends, defined by means of the p$p$-modulus of curve families, are also discussed and related to the prime ends. We provide characterizations of singleton prime ends and relate them to the notion of accessibility of boundary points, and introduce a topology on the prime end boundary. We also study relations between the prime end boundary and the Mazurkiewicz boundary. Generalizing the notion of John domains, we introduce almost John domains, and we investigate prime ends in the settings of John domains, almost John domains and domains which are finitely connected at the boundary.     

Flavor constraints on scenarios with two or three heavy squark generations

We present the NLO SUSY-QCD corrections to the production of a pair of the lightest neutralinos plus one jet at the LHC, appearing as a monojet signature in combination with missing energy. We fully include all non-resonant diagrams, i.e. we do not assume that production and decay factorise. We derive a parameter point based on the p19MSSM which is compatible with current experimental bounds and show distributions based on missing transverse energy and jet observables. Our results are produced with the program GoSam Cullen et al. (Eur. Phys. J. C 72:1889, 2012) for automated one-loop calculations in combination with MadDipole/MadGraph for the real radiation part.     

Sensitivity enhancement in natural-abundance solid-state 33S MAS NMR spectroscopy employing adiabatic inversion pulses to the satellite transitions

The WURST (wideband uniform rate smooth truncation) and hyperbolic secant (HS) pulse elements have each been employed as pairs of inversion pulses to induce population transfer (PT) between the four energy levels in natural abundance solid-state (33)S (spin I=3/2) MAS NMR, thereby leading to a significant gain in intensity for the central transition (CT). The pair of inversion pulses are applied to the satellite transitions for a series of inorganic sulfates, the sulfate ions in the two cementitious materials ettringite and thaumasite, and the two tetrathiometallates (NH(4))(2)WS(4) and (NH(4))(2)MoS(4). These materials all exhibit (33)S quadrupole coupling constants (C(Q)) in the range 0.1-1.0 MHz, with precise C(Q) values being determined from analysis of the PT enhanced (33)S MAS NMR spectra. The enhancement factors for the WURST and HS elements are quite similar and are all in the range 1.74-2.25 for the studied samples, in excellent agreement with earlier reports on HS enhancement factors (1.6-2.4) observed for other spin I=3/2 nuclei with similar C(Q) values (0.3-1.2 MHz). Thus, a time saving in instrument time by a factor up to five has been achieved in natural abundance (33)S MAS NMR, a time saving which is extremely welcome for this important low-gamma nucleus.     

Covalent‐Allosteric Inhibitors to Achieve Akt Isoform‐Selectivity

Isoforms of protein kinase Akt are involved in essential processes including cell proliferation, survival, and metabolism. However, their individual roles in health and disease have not been thoroughly evaluated. Thus, there is an urgent need for perturbation studies, preferably mediated by highly selective bioactive small molecules. Herein, we present a structure‐guided approach for the design of structurally diverse and pharmacologically beneficial covalent‐allosteric modifiers, which enabled an investigation of the isoform‐specific preferences and the important residues within the allosteric site of the different isoforms. The biochemical, cellular, and structural evaluations revealed interactions responsible for the selective binding profiles. The isoform‐selective covalent‐allosteric Akt inhibitors that emerged from this approach showed a conclusive structure–activity relationship and broke ground in the development of selective probes to delineate the isoform‐specific functions of Akt kinases.     

Luminescence Spectroscopy of Rhodamine Homodimer Dications in Vacuo Reveals Strong Dye-Dye Interactions

Being alone or together makes a difference for the photophysics of dyes but for ionic dyes it is difficult to quantify the interactions due to solvent screening and nearby counter ions. Gas-phase luminescence experiments are desirable and now possible based on recent developments in mass spectrometry. Here we present results on tailor-made rhodamine homodimers where two dye cations are separated by methylene linkers, (CH₂)_n. In solution the fluorescence is almost identical to that from the monomer whereas the emission from bare cation dimers redshifts with decreasing n. In the absence of screening, the electric field from the charge on one dye is strong enough to polarize the other dye, both in the ground state and in the excited state. An electrostatic model based on symmetric dye responses (equal induced-dipole moments in ground state) captures the underlying physics and demonstrates interaction even at large distances. Our results have possible implications for gas-phase Förster Resonance Energy Transfer.     

Neutron decoherence imaging for visualizing bulk magnetic domain structures

Here we introduce a novel neutron imaging method, which is based on the effect that the spatial coherence of the neutron wave front can be changed through small-angle scattering of neutrons at magnetic domain walls in the specimen. We show that the technique can be used to visualize internal bulk magnetic domain structures that are difficult to access by other techniques. The method is transferable to a wide variety of specimens, extendable to three dimensions, and well suited for investigating materials under the influence of external parameters, as, e.g., external magnetic field, temperature, or pressure.