Odgaardvilstrup0229

We report direct measurements of spatially resolved surface stresses of a dense suspension during large amplitude oscillatory shear (LAOS) in the discontinuous shear thickening regime using boundary stress microscopy. Consistent with previous studies, bulk rheology shows a dramatic increase in the complex viscosity above a frequency-dependent critical strain. We find that the viscosity increase is coincident with that appearance of large heterogeneous boundary stresses, indicative of the formation of transient solid-like phases (SLPs) on spatial scales large compared to the particle size. The critical strain for the appearance of SLPs is largely determined by the peak oscillatory stress, which depends on the peak shear rate and the frequency-dependent suspension viscosity. The SLPs dissipate and reform on each cycle, with a spatial pattern that is highly variable at low frequencies but remarkably persistent at the highest frequency measured (ω = 10 rad s-1).Silicates are the most abundant materials in the earth's crust. In recent years, two-dimensional (2D) versions of them grown on metal supports (known as bilayer silicates) have allowed their study in detail down to the atomic scale. These structures are self-containing. They are not covalently bound to the metal support but interact with it through van der Waals forces. Like their three-dimensional counterparts, the 2D-silicates can form both crystalline and vitreous structures. Furthermore, the interconversion between vitreous to crystalline structures has been experimentally observed at the nanoscale. While theoretical work has been carried out to try to understand these transformations, a limitation for ab initio methods, and even molecular dynamics methods, is the computational cost of studying large systems and long timescales. In this work, we present a simple and computationally inexpensive approach, that can be used to represent the evolution of bilayer silicates using a bond-switching algorithm. This approach allows reaching equilibrium ring size distributions as a function of a parameter that can be related to the ratio between temperature and the energy required for the bond-switching event. The ring size distributions are compared to experimental data available in the literature.We present a proof-of-principle study on automated, highly sensitive and multiplexed qPCR quantification by centrifugal microfluidics. The MRD disk can be used for standardisation of repetitive, longitudinal assays with high requirements on reproducibility and sensitivity, such as cancer monitoring. In contrast to high-throughput qPCR automation by bulky and expensive robotic workstations we employ a small centrifugal microfluidic instrument, addressing the need of low- to mid-throughput applications. As a potential application we demonstrate automated minimum residual disease (MRD) monitoring of prognostic markers in patients with acute lymphoblastic leukaemia (ALL). The disk-workflow covers all aspects of clinical gold standard MRD quantification generation of standard curves, specificity controls, no template controls and quantification of the ALL patient sample. We integrated a highly sensitive, colorimetric 2-plex analysis of MRD targets, as well as a 2-plex analysis of reference genes, both in parallel he MRD disk an attractive solution to assure reproducibility in moderate-throughput, longitudinal gene quantification applications.The interpretation of the ultrafast photophysics of transition metal complexes following photo-absorption is quite involved as the heavy metal center leads to a complicated and entangled singlet-triplet manifold. selleck This opens up multiple pathways for deactivation, often with competitive rates. As a result, intersystem crossing (ISC) and phosphorescence are commonly observed in transition metal complexes. A detailed understanding of such an excited-state structure and dynamics calls for state-of-the-art experimental and theoretical methodologies. In this review, we delve into the inability of non-relativistic quantum theory to describe spin-forbidden transitions, which can be overcome by taking into account spin-orbit coupling, whose importance grows with increasing atomic number. We present the quantum chemical theory of phosphorescence and ISC together with illustrative examples. Finally, a few applications are highlighted, bridging the gap between theoretical studies and experimental applications, such as photofunctional materials.The service life of FeS2 thermal batteries is significantly affected by self-discharge of the cathode. Herein, SEM, XRD and XPS were employed to characterize the mechanism of self-discharge of the FeS2 cathode. A novel combined-discharge method, in which a tiny current (5 mA cm-2) was applied to minimize the effect of polarization on discharge capacity, was conducted to study the kinetics characteristic of self-discharge of FeS2 cathode upon discharge. Then, the self-discharge kinetics parameters which are related to the current density (20, 50 and 200 mA cm-2) and temperature (400, 450, 500 and 550 °C) were determined by the Serin-Ellickson model. Characterizations of the cells standing at 500 °C confirm that the decomposition product of the FeS2 cathode is FeS. The quantitative analysis of self-discharge rate constants (SRC) demonstrates that the reaction is a diffusion-controlling process. The kinetics process can conform to the Serin-Ellickson model. Specifically, the values of SRC increase when the cell is carried by a heavier load, since more breakage would form in FeS2 particles at the larger current density. Besides, the SRC increase at a higher temperature, and the relationship of SRC and temperature can be fitted by the Arrhenius equation. Consequently, the apparent activation energy decreases with the increase of current density.This manuscript outlines a DFT-D study of a neutral and charged Au60 cluster. The neutral structure features an I-symmetry, while 1-, 1+, and 2+ charge states result in a structure with Cs symmetry. The main difference among neutral and charged clusters is their compactness and we used a polyhedral approach to analyze their structure in terms of tetrahedral and octahedral building blocks. Moreover, we calculated their IR/Raman spectra to distinguish among them.