Efficient sampling of atomic configurational spaces.

We describe a method to explore the configurational phase space of chemical systems. It is based on the nested sampling algorithm recently proposed by Skilling (AIP Conf. Proc. 2004, 395; J. Bayesian Anal. 2006, 1, 833) and allows us to explore the entire potential energy surface (PES) efficiently in an unbiased way. The algorithm has two parameters which directly control the trade-off between the resolution with which the space is explored and the computational cost. We demonstrate the use of nested sampling on Lennard-Jones (LJ) clusters. Nested sampling provides a straightforward approximation for the partition function; thus, evaluating expectation values of arbitrary smooth operators at arbitrary temperatures becomes a simple postprocessing step. Access to absolute free energies allows us to determine the temperature-density phase diagram for LJ cluster stability. Even for relatively small clusters, the efficiency gain over parallel tempering in calculating the heat capacity is an order of magnitude or more. Furthermore, by analyzing the topology of the resulting samples, we are able to visualize the PES in a new and illuminating way. We identify a discretely valued order parameter with basins and suprabasins of the PES, allowing a straightforward and unambiguous definition of macroscopic states of an atomistic system and the evaluation of the associated free energies.

Measurements of triggering and transient growth in a model lean-premixed gas turbine combustor

Instability triggering and transient growth of thermoacoustic oscillations were experimentally investigated in combination with linear/nonlinear flame transfer function (FTF) methodology in a model lean-premixed gas turbine combustor operated with CH 4 and air at atmospheric pressure. A fully premixed flame with 10kW thermal power and an equivalence ratio of 0.60 was chosen for detailed characterization of the nonlinear transient behaviors. Flame transfer functions were experimentally determined by simultaneous measurements of inlet velocity fluctuations and heat release rate oscillations using a constant temperature anemometer and OH */CH * chemiluminescence emissions, respectively. The phase-resolved variation of the local flame structure at a limit cycle was measured by planar laser-induced fluorescence of OH. Simultaneous measurements of inlet velocity, OH */CH * emission, and acoustic pressure were performed to investigate the temporal evolution of the system from a stable to a limit cycle operation. This measurement allows us to describe an unsteady instability triggering event in terms of several distinct stages: (i) initiation of a small perturbation, (ii) exponential amplification, (iii) saturation, (iv) nonlinear evolution of the perturbations towards a new unstable periodic state, (v) quasi-steady low-amplitude periodic oscillation, and (vi) fully-developed high-amplitude limit cycle oscillation. Phase-plane portraits of instantaneous inlet velocity and heat release rate clearly show the presence of two different attractors. Depending on its initial position in phase space at infinitesimally small amplitude, the system evolves towards either a high-amplitude oscillatory state or a low-amplitude oscillatory state. This transient phenomenon was analyzed using frequency- and amplitude-dependent damping mechanisms, and compared to subcritical and supercritical bifurcation theories. The results presented in this paper experimentally demonstrate the hypothesis proposed by Preetham et al. based on analytical and computational solutions of the nonlinear G-equation [J. Propul. Power 24 (2008) 1390-1402]. Good quantitative agreement was obtained between measurements and predictions in terms of the conditions for the onset of triggering and the amplitude of triggered combustion instabilities. © 2011 The Combustion Institute.

Nonequilibrium dynamics of photoexcited electrons in graphene: Collinear scattering, Auger processes, and the impact of screening

We present a combined analytical and numerical study of the early stages (sub-100-fs) of the nonequilibrium dynamics of photoexcited electrons in graphene. We employ the semiclassical Boltzmann equation with a collision integral that includes contributions from electron-electron (e-e) and electron-optical phonon interactions. Taking advantage of circular symmetry and employing the massless Dirac fermion (MDF) Hamiltonian, we are able to perform an essentially analytical study of the e-e contribution to the collision integral. This allows us to take particular care of subtle collinear scattering processes - processes in which incoming and outgoing momenta of the scattering particles lie on the same line - including carrier multiplication (CM) and Auger recombination (AR). These processes have a vanishing phase space for two-dimensional MDF bare bands. However, we argue that electron-lifetime effects, seen in experiments based on angle-resolved photoemission spectroscopy, provide a natural pathway to regularize this pathology, yielding a finite contribution due to CM and AR to the Coulomb collision integral. Finally, we discuss in detail the role of physics beyond the Fermi golden rule by including screening in the matrix element of the Coulomb interaction at the level of the random phase approximation (RPA), focusing in particular on the consequences of various approximations including static RPA screening, which maximizes the impact of CM and AR processes, and dynamical RPA screening, which completely suppresses them. © 2013 American Physical Society.

CFD investigation of turbulent premixed flame response to transverse forcing

Screech is a high frequency oscillation that is usually characterized by instabilities caused by large-scale coherent flow structures in the wake of bluff-body flameholders and shear layers. Such oscillations can lead to changes in flame surface area which can cause the flame to burn unsteadily, but also couple with the acoustic modes and inherent fluid-mechanical instabilities that are present in the system. In this study, the flame response to hydrodynamic oscillations is analyzed in a controlled manner using high-fidelity Computational Fluid Dynamics (CFD) with an unsteady Reynolds-averaged Navier-Stokes approach. The response of a premixed flame with and without transverse velocity forcing is analyzed. When unforced, the flame is shown to exhibit a self-excitation that is attributed to the anti-symmetric shedding of vortices in the wake of the flameholder. The flame is also forced using two different kinds of low-amplitude out-of-phase inlet velocity forcing signals. The first forcing method is harmonic forcing with a single characteristic frequency, while the second forcing method involves a broadband forcing signal with frequencies in the range of 500 - 1000 Hz. For the harmonic forcing method, the flame is perturbed only lightly about its mean position and exhibits a limit cycle oscillation that is characteristic of the forcing frequency. For the broadband forcing method, larger changes in the flame surface area and detachment of the flame sheet can be seen. Transition to a complicated trajectory in the phase space is observed. When analyzed systematically with system identification methods, the CFD results, expressed in the form of the Flame Transfer Function (FTF) are capable of elucidating the flame response to the imposed perturbation. The FTF also serves to identify, both spatially and temporally, regions where the flame responds linearly and nonlinearly. Locking-in between the flame's natural self-excited frequency and the subharmonic frequencies of the broadband forcing signal is found to alter the dynamical behaviour of the flame. Copyright © 2013 by ASME.

Free space adaptive optical interconnect, using a ferroelectric liquid crystal SLM for beam steering

A free-space, board-to-board, adaptive optical interconnect demonstrator has been developed. Binary phase gratings displayed on a Ferroelectric Liquid Crystal Spatial Light Modulator are used to maintain data transfer at 1.25Gbps, given varying optical misalignment © 2005 Optical Society of America.

Statistical image modelling using interscale phase relationships of complex wavelet coefficients

A novel method for modelling the statistics of 2D photographic images useful in image restoration is defined. The new method is based on the Dual Tree Complex Wavelet Transform (DT-CWT) but a phase rotation is applied to the coefficients to create complex coefficients whose phase is shift-invariant at multiscale edge and ridge features. This is in addition to the magnitude shift invariance achieved by the DT-CWT. The increased correlation between coefficients adjacent in space and scale provides an improved mechanism for signal estimation. © 2006 IEEE.

Outage probability of the gaussian MIMO free-space optical channel with PPM

Atmospheric effects can significantly degrade the reliability of free-space optical communications. One such effect is scintillation, caused by atmospheric turbulence, refers to random fluctuations in the irradiance and phase of the received laser beam. In this paper we inv stigate the use of multiple lasers and multiple apertures to mitigate scintillation. Since the scintillation process is slow, we adopt a block fading channel model and study the outage probability under the assumptions of orthogonal pulse-position modulation and non-ideal photodetection. Assuming perfect receiver channel state information (CSI), we derive the signal-to-noise ratio (SNR) exponents for the cases when the scintillation is lognormal, exponential and gammagamma distributed, which cover a wide range of atmospheric turbulence conditions. Furthermore, when CSI is also available at the transmitter, we illustrate very large gains in SNR are possible (in some cases larger than 15 dB) by adapting the transmitted power. Under a long-term power constraint, we outline fundamental design criteria via a simple expression that relates the required number of lasers and apertures for a given code rate and number of codeword blocks to completely remove system outages. Copyright © 2009 IEEE.

New space-time trellis codes for two-antenna quasi-static channels

New space-time trellis codes with four- and eight-level phase-shift keying (PSK) and 16-phase quadrature amplitude modulation (QAM) for two transmit antennas in slow-fading channels are presented in this paper. Unlike most of the codes that are reported in the literature, the proposed codes are specifically designed to minimize the frame error probability from a union-bound perspective. The performance of the proposed codes with various memory orders and receive antennas is evaluated by simulation. It is shown that the proposed codes outperform previously known codes in all studied cases.

Free space communications with beam steering a two-electrode tapered laser diode using liquid-crystal slm

A free space optical wireless communication system with 3 degree angular coverage and 1.25 GHz modulation bandwidth is reported, in which relatively narrow laser beam of a simultaneous high power, high modulation speed and ultra high modulation efficiency directly modulated two-electrode tapered laser diode is steered using a nematic phase-only Liquid-Crystal On Silicon Spatial Light Modulator (LCOS SLM) by displaying reconfigurable 256 phase level gratings. © 1983-2012 IEEE.

Aberration correction for free space optical communications using rectangular zernike modal wavefront sensing

A time multiplexed rectangular Zernike modal wavefront sensor based on a nematic phase-only liquid crystal spatial light modulator and specially designed for a high power two-electrode tapered laser diode which is a compact and novel free space optical communication source is used in an adaptive beam steering free space optical communication system, enabling the system to have 1.25 GHz modulation bandwidth, 4.6° angular coverage and the capability of sensing aberrations within the system and caused by atmosphere turbulence up to absolute value of 0.15 waves amplitude and correcting them in one correction cycle. Closed-loop aberration correction algorithm can be implemented to provide convergence for larger and time varying aberrations. Improvement of the system signal-to-noise-ratio performance is achieved by aberration correction. To our knowledge, it is first time to use rectangular orthonormal Zernike polynomials to represent balanced aberrations for high power rectangular laser beam in practice. © 2014 IEEE.

Free space adaptive optical interconnect, using a ferroelectric liquid crystal SLM for beam steering

A free-space, board-to-board, adaptive optical interconnect demonstrator has been developed. Binary phase gratings displayed on a Ferroelectric Liquid Crystal Spatial Light Modulator are used to maintain data transfer at 1.25Gbps, given varying optical misalignment.© 2005 Optical Society of America.