Size-dependent and strain rate effects in quantum dot nanostructures with molecular dynamic simulations

Size and strain rate effects are among several factors which play an important role in determining the response of nanostructures, such as their deformations, to the mechanical loadings. The mechanical deformations in nanostructure systems at finite temperatures are intrinsically dynamic processes. Most of the recent works in this context have been focused on nanowires [1, 2], but very little attention has been paid to such low dimensional nanostructures as quantum dots (QDs). In this contribution, molecular dynamics (MD) simulations with an embedded atom potential method(EAM) are carried out to analyse the size and strain rate effects in the silicon (Si) QDs, as an example. We consider various geometries of QDs such as spherical, cylindrical and cubic. We choose Si QDs as an example due to their major applications in solar cells and biosensing. The analysis has also been focused on the variation in the deformation mechanisms with the size and strain rate for Si QD embedded in a matrix of SiO2 [3] (other cases include SiN and SiC matrices).It is observed that the mechanical properties are the functions of the QD size, shape and strain rate as it is in the case for nanowires [2]. We also present the comparative study resulted from the application of different EAM potentials in particular, the Stillinger-Weber (SW) potential, the Tersoff potentials and the environment-dependent interatomic potential (EDIP) [1]. Finally, based on the stabilized structural properties we compute electronic bandstructures of our nanostructures using an envelope function approach and its finite element implementation.

Quantum destruction of spiral order in two-dimensional frustrated magnets

We study the fate of spin-1/2 spiral-ordered two-dimensional quantum antiferromagnets that are disordered by quantum fluctuations. A crucial role is played by the topological point defects of the spiral phase, which are known to have a Z(2) character. Previous works established that a nontrivial quantum spin-liquid phase results when the spiral is disordered without proliferating the Z(2) vortices. Here, we show that when the spiral is disordered by proliferating and condensing these vortices, valence-bond solid ordering occurs due to quantum Berry phase effects. We develop a general theory for this latter phase transition and apply it to a lattice model. This transition potentially provides a new example of a Landau-forbidden deconfined quantum critical point.

CFD Based Design Optimizations of the Diffuser of a Gas Dynamically Driver Laser Cavity

Based on the an earlier CFD analysis of the performance of the gas-dynamically controlled laser cavity [1]it was found that there is possibility of optimizing the geometry of the diffuser that can bring about reductions in both size and cost of the system by examining the critical dimensional requirements of the diffuser. Consequently,an extensive CFD analysis has been carried out for a range of diffuser configurations by simulating the supersonic flow through the arrangement including the laser cavity driven by a bank of converging – diverging nozzles and the diffuser. The numerical investigations with 3D-RANS code are carried out to capture the flow patterns through diffusers past the cavity that has multiple supersonic jet interactions with shocks leading to complex flow pattern. Varying length of the diffuser plates is made to be the basic parameter of the study. The analysis reveals that the pressure recovery pattern during the flow through the diffuser from the simulation, being critical for the performance of the laser device shows its dependence on the diffuser length is weaker beyond a critical lower limit and this evaluation of this limit would provide a design guideline for a more efficient system configuration.The observation based on the parametric study shows that the pressure recovery transients in the near vicinity of the cavity is not affected for the reduction in the length of the diffuser plates up to its 10% of the initial size, indicating the design in the first configuration that was tested experimentally has a large factor of margin. The flow stability in the laser cavity is found to be unaffected since a strong and stable shock is located at the leading edge of the diffuser plates while the downstream shock and flow patterns are changed, as one would expect. Results of the study for the different lengths of diffusers in the range of 10% to its full length are presented, keeping the experimentally tested configuration used in the earlier study [1] as the reference length. The conclusions drawn from the analysis is found to be of significance since it provides new design considerations based on the understanding of the intricacies of the flow, allowing for a hardware optimization that can lead to substantial size reduction of the device with no loss of performance.

Search on a Hypercubic Lattice using Quantum Random Walk

We investigate the spatial search problem on the two-dimensional square lattice, using the Dirac evolution operator discretized according to the staggered lattice fermion formalism. d=2 is the critical dimension for the spatial search problem, where infrared divergence of the evolution operator leads to logarithmic factors in the scaling behavior. As a result, the construction used in our accompanying article [ A. Patel and M. A. Rahaman Phys. Rev. A 82 032330 (2010)] provides an O(√NlnN) algorithm, which is not optimal. The scaling behavior can be improved to O(√NlnN) by cleverly controlling the massless Dirac evolution operator by an ancilla qubit, as proposed by Tulsi Phys. Rev. A 78 012310 (2008). We reinterpret the ancilla control as introduction of an effective mass at the marked vertex, and optimize the proportionality constants of the scaling behavior of the algorithm by numerically tuning the parameters.

Spin State Selective Excitation of Single Quantum Transitions Using Multiple Quantum Spectroscopy- an Aid to Analyse Complex Proton NMR spectra of Oriented Molecules

NMR spectra of molecules oriented in liquid-crystalline matrix provide information on the structure and orientation of the molecules. Thermotropic liquid crystals used as an orienting media result in the spectra of spins that are generally strongly coupled. The number of allowed transitions increases rapidly with the increase in the number of interacting spins. Furthermore, the number of single quantum transitions required for analysis is highly redundant. In the present study, we have demonstrated that it is possible to separate the subspectra of a homonuclear dipolar coupled spin system on the basis of the spin states of the coupled heteronuclei by multiple quantum (MQ)−single quantum (SQ) correlation experiments. This significantly reduces the number of redundant transitions, thereby simplifying the analysis of the complex spectrum. The methodology has been demonstrated on the doubly 13C labeled acetonitrile aligned in the liquid-crystal matrix and has been applied to analyze the complex spectrum of an oriented six spin system.

Multi-physics self-consistent modeling in nanotechnological applications: quantum dots and quantum-well lasers

This paper reports a self-consistent Poisson-Schr¨odinger scheme including the effects of the piezoelectricity, the spontaneous polarization and the charge density on the electronic states and the quasi-Fermi level energy in wurtzite type semiconductor heterojunction and quantum-laser.