Link between the diversity, heterogeneity and kinetic properties of amorphous ice structures

Based on neutron wide-angle diffraction and small-angle neutron scattering experiments, we show that there is a correlation between the preparational conditions of amorphous ice structures, their microscopic structural properties, the extent of heterogeneities on a mesoscopic spatial scale and the transformation kinetics. There are only two modifications that can be identified as homogeneous disordered structures, namely the very high-density vHDA and the low-density amorphous LDA ice. Structures showing an intermediate static structure factor with respect to vHDA and LDA are heterogeneous phases. This holds independently from their preparation procedure, i.e. either obtained by pressure amorphisation of ice I_h or by heating of vHDA. The degree of heterogeneity can be progressively suppressed when higher pressures and temperatures are applied for the sample preparation. In accordance with the suppressed heterogeneity the maximum of the static structure factor displays a pronounced narrowing of the first strong peak, shifting towards higher Q-numbers. Moreover, the less heterogeneous the obtained structures are the slower is the transformation kinetics from the high--density modifications into LDA. The well known high-density amorphous structure HDA does not constitute any particular state of the amorphous water network. It is formed due to the preparational procedure working in liquid nitrogen as thermal bath, i.e. at about 77 K

Truncated unity functional renormalization group for multiband systems with spin-orbit coupling

Although the functional renormalization group (fRG) is by now a well-established method for investigating correlated electron systems, it is still undergoing significant technical and conceptual improvements. In particular, the motivation to optimally exploit the parallelism of modern computing platforms has recently led to the development of the "truncated-unity" functional renormalization group (TU-fRG). Here, we review this fRG variant, and we provide its extension to multiband systems with spin-orbit coupling. Furthermore, we discuss some aspects of the implementation and outline opportunities and challenges ahead for predicting the ground-state ordering and emergent energy scales for a wide class of quantum materials.Comment: consistent with published version in Frontiers in Physics (2018

An atomic mechanism for the boson peak in metallic glasses

The boson peak in metallic glasses is modeled in terms of local structural shear rearrangements. Using Eshelby's solution of the corresponding elasticity theory problem (J. D. Eshelby, Proc. Roy. Soc. A241, 376 (1957)), one can calculate the saddle point energy of such a structural rearrangement. The neighbourhood of the saddle point gives rise to soft resonant vibrational modes. One can calculate their density, their kinetic energy, their fourth order potential term and their coupling to longitudinal and transverse sound waves.Comment: 9 pages, 7 figures, 31 references, contribution to 11th International Workshop on Complex Systems, Andalo (Italy), March 200

DESIGN OF NEW FLUIDIZED BED REACTORS FOR CVD - PROCESSES

A new concept of fluidized bed will be shown which can be used for various gas-tosolids reactions (e.g. chemical vapour deposition (CVD) reactions) with high throughput like the production of new materials. For the design and scale-up of the new bubbling fluidized bed with vertically aligned vertical nozzles the fluid dynamics of the fluidized beds have to be determined and analysed, especially the flow around the gas nozzles. A jet region around a single centrally arranged injector lance in a bubbling fluidized bed reactor is characterized by different parameters like solids concentration and jet gas distribution. It can be shown that – depending on the related parameter – different jet regions are obtained

Diffusion and jump-length distribution in liquid and amorphous Cu33_{33}Zr67_{67}

Using molecular dynamics simulation, we calculate the distribution of atomic jum ps in Cu$_{33}$Zr$_{67}$ in the liquid and glassy states. In both states the distribution of jump lengths can be described by a temperature independent exponential of the length and an effective activation energy plus a contribution of elastic displacements at short distances. Upon cooling the contribution of shorter jumps dominates. No indication of an enhanced probability to jump over a nearest neighbor distance was found. We find a smooth transition from flow in the liquid to jumps in the g lass. The correlation factor of the diffusion constant decreases with decreasing temperature, causing a drop of diffusion below the Arrhenius value, despite an apparent Arrhenius law for the jump probability

Robust optimization with probabilistic constraints for power-efficient and secure SWIPT

In this paper, we propose beamforming schemes to simultaneously transmit data to multiple information receivers (IRs) while transfering power wirelessly to multiple energy harvesting receivers (ERs). Taking into account the imperfection of the instantaneous channel state information, we introduce a probabilistic-constrained optimization problem to minimize the total transmit power while guaranteeing data transmission reliability, secure data transmission, and power transfer reliability. As the proposed optimization problem is non-convex and has an infinite number of constraints, we propose two robust reformulations of the original problem adopting safe-convex-approximation techniques. The derived robust formulations are in semidefinite programming forms, hence, they can be effectively solved by standard convex optimization packages. Simulation results confirm the superiority of the proposed approaches to a baseline scheme in guaranteeing transmission security