1,932 research outputs found
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 CuZr
Using molecular dynamics simulation, we calculate the distribution of atomic
jum ps in CuZr 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
Robust chance-constrained optimization for power-efficient and secure SWIPT systems
In this paper, we propose beamforming schemes to simultaneously transmit data securely to multiple information receivers (IRs) while transferring power wirelessly to multiple energy-harvesting receivers (ERs). Taking into account the imperfection of the instantaneous channel state information (CSI), we introduce a chance-constrained optimization problem to minimize the total transmit power while guaranteeing data transmission reliability, data transmission security, and power transfer reliability. As the proposed optimization problem is non-convex due to the chance constraints, we propose two robust reformulations of the original problem based on safe-convex-approximation techniques. Subsequently, applying semidefinite programming relaxation (SDR), the derived robust reformulations can be effectively solved by standard convex optimization packages. We show that the adopted SDR is tight and thus the globally optimal solutions of the reformulated problems can be recovered. Simulation results confirm the superiority of the proposed methods in guaranteeing transmission security compared to a baseline scheme. Furthermore, the performance of proposed methods can closely follow that of a benchmark scheme where perfect CSI is available for resource allocation
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