Numerical Simulation of Particle Separation in An Oil-Sand Separator

The gathering systems of crude oil are greatly endangered by the fine sand and soil in oil. Up to now , how to separate sand from the viscid oil is still a technical problem for oil production home or abroad. Recently , Institute of Mechanics in Chinese Academy of Sciences has developed a new type of oil-sand separator , which has been applied successfully in oil field in situ. In this paper, the numerical method of vortex-stream function is used to predict the liquid-solid separating course and the efficiency for this oil-sand separator. Results show that the viscosity and particle diameter have much influence on the particle motion. The calculating separating efficiency is compared with that of experiment and indicates that this method can be used to model the complex two-phase flow in the separator.

Pulverized-coal combustion in Wall-Protecting-Jets combustor (WPJC)

A new type of pulverized-coal combustor, called "Wall-Protecting-Jets Combustor" (hereafter, WPJC has been proposed, designed and studied with both CFD (Computational Fluid Dynamics) and experimental methods. The WPJC is based on a novel concept in which all inlet jets are along the combustor wall. Pilot combustion experiments were conducted to investigate the combustion performance of WPJC. Two-phase flows and pulverized-coal combustion were simulated to study the mechanism of),WPJC using the commercial software FLUENT. The results show that the WPJC has many remarkable advantages: wall-protection by the cold jets without the use of refractory materials; low-temperature and three-stage combustion with low NOx emission; negligible ash/slag-deposition; multiple functions with convenient switching between them; effective adjustment of the combustion intensity and the ignition position.

Nonlinear optics in planar silica-on-silicon disk resonators

Optical frequency combs (OFCs) provide direct phase-coherent link between optical and RF frequencies, and enable precision measurement of optical frequencies. In recent years, a new class of frequency combs (microcombs) have emerged based on parametric frequency conversions in dielectric microresonators. Micocombs have large line spacing from 10's to 100's GHz, allowing easy access to individual comb lines for arbitrary waveform synthesis. They also provide broadband parametric gain bandwidth, not limited by specific atomic or molecular transitions in conventional OFCs. The emerging applications of microcombs include low noise microwave generation, astronomical spectrograph calibration, direct comb spectroscopy, and high capacity telecommunications.

In this thesis, research is presented starting with the introduction of a new type of chemically etched, planar silica-on-silicon disk resonator. A record Q factor of 875 million is achieved for on-chip devices. A simple and accurate approach to characterize the FSR and dispersion of microcavities is demonstrated. Microresonator-based frequency combs (microcombs) are demonstrated with microwave repetition rate less than 80 GHz on a chip for the first time. Overall low threshold power (as low as 1 mW) of microcombs across a wide range of resonator FSRs from 2.6 to 220 GHz in surface-loss-limited disk resonators is demonstrated. The rich and complex dynamics of microcomb RF noise are studied. High-coherence, RF phase-locking of microcombs is demonstrated where injection locking of the subcomb offset frequencies are observed by pump-detuning-alignment. Moreover, temporal mode locking, featuring subpicosecond pulses from a parametric 22 GHz microcomb, is observed. We further demonstrated a shot-noise-limited white phase noise of microcomb for the first time. Finally, stabilization of the microcomb repetition rate is realized by phase lock loop control.

For another major nonlinear optical application of disk resonators, highly coherent, simulated Brillouin lasers (SBL) on silicon are also demonstrated, with record low Schawlow-Townes noise less than 0.1 Hz^2/Hz for any chip-based lasers and low technical noise comparable to commercial narrow-linewidth fiber lasers. The SBL devices are efficient, featuring more than 90% quantum efficiency and threshold as low as 60 microwatts. Moreover, novel properties of the SBL are studied, including cascaded operation, threshold tuning, and mode-pulling phenomena. Furthermore, high performance microwave generation using on-chip cascaded Brillouin oscillation is demonstrated. It is also robust enough to enable incorporation as the optical voltage-controlled-oscillator in the first demonstration of a photonic-based, microwave frequency synthesizer. Finally, applications of microresonators as frequency reference cavities and low-phase-noise optomechanical oscillators are presented.

High-coherence hybrid Si/III-V semiconductor lasers

The relentlessly increasing demand for network bandwidth, driven primarily by Internet-based services such as mobile computing, cloud storage and video-on-demand, calls for more efficient utilization of the available communication spectrum, as that afforded by the resurging DSP-powered coherent optical communications. Encoding information in the phase of the optical carrier, using multilevel phase modulationformats, and employing coherent detection at the receiver allows for enhanced spectral efficiency and thus enables increased network capacity. The distributed feedback semiconductor laser (DFB) has served as the near exclusive light source powering the fiber optic, long-haul network for over 30 years. The transition to coherent communication systems is pushing the DFB laser to the limits of its abilities. This is due to its limited temporal coherence that directly translates into the number of different phases that can be imparted to a single optical pulse and thus to the data capacity. Temporal coherence, most commonly quantified in the spectral linewidth Δν, is limited by phase noise, result of quantum-mandated spontaneous emission of photons due to random recombination of carriers in the active region of the laser.

In this work we develop a generically new type of semiconductor laser with the requisite coherence properties. We demonstrate electrically driven lasers characterized by a quantum noise-limited spectral linewidth as low as 18 kHz. This narrow linewidth is result of a fundamentally new laser design philosophy that separates the functions of photon generation and storage and is enabled by a hybrid Si/III-V integration platform. Photons generated in the active region of the III-V material are readily stored away in the low loss Si that hosts the bulk of the laser field, thereby enabling high-Q photon storage. The storage of a large number of coherent quanta acts as an optical flywheel, which by its inertia reduces the effect of the spontaneous emission-mandated phase perturbations on the laser field, while the enhanced photon lifetime effectively reduces the emission rate of incoherent quanta into the lasing mode. Narrow linewidths are obtained over a wavelength bandwidth spanning the entire optical communication C-band (1530-1575nm) at only a fraction of the input power required by conventional DFB lasers. The results presented in this thesis hold great promise for the large scale integration of lithographically tuned, high-coherence laser arrays for use in coherent communications, that will enable Tb/s-scale data capacities.

Investigation of near-collinear degenerated quasi-phase matching optical parametric amplification using PPKTP crystal

The gain properties of near-collinear degenerated phase-matched optical parametric amplification (OPA) using PPKTP crystal are investigated theoretically. The results indicate that the type-0 phase matching of PPKTP has larger accepted angle and better gain spectrum by tuning crystal temperature or rotating crystal angle.

La envolvente de los edificios como generador de calor y energía eléctrica

[ES]El presente documento analiza las principales funciones que se le exigen actualmente a un sistema constructivo; concretamente, a la envolvente de los edificios. Se plantean inicialmente las causas y necesidades que han derivado en el nuevo concepto de envolvente así como las nuevas funciones que se le son exigibles. Se describen los conceptos relativos a los diferentes sistemas constructivos, a los métodos de ventilación natural y, a continuación, se analizan los criterios de generación fotovoltaica y solar térmica en los edificios, además de la integración de estos sistemas en los edificios. También se analizan los fundamentos sobre materiales de cambio de fase. Todo ello permite presentar los criterios de construcción de edificios ecoeficientes. Asimismo se presentan una serie de soluciones arquitectónicas desde el punto de vista de la eficiencia energética.

First principles based multiparadigm modeling of electronic structures and dynamics

Electronic structures and dynamics are the key to linking the material composition and structure to functionality and performance.

An essential issue in developing semiconductor devices for photovoltaics is to design materials with optimal band gaps and relative positioning of band levels. Approximate DFT methods have been justified to predict band gaps from KS/GKS eigenvalues, but the accuracy is decisively dependent on the choice of XC functionals. We show here for CuInSe₂ and CuGaSe₂, the parent compounds of the promising CIGS solar cells, conventional LDA and GGA obtain gaps of 0.0-0.01 and 0.02-0.24 eV (versus experimental values of 1.04 and 1.67 eV), while the historically first global hybrid functional, B3PW91, is surprisingly the best, with band gaps of 1.07 and 1.58 eV. Furthermore, we show that for 27 related binary and ternary semiconductors, B3PW91 predicts gaps with a MAD of only 0.09 eV, which is substantially better than all modern hybrid functionals, including B3LYP (MAD of 0.19 eV) and screened hybrid functional HSE06 (MAD of 0.18 eV).

The laboratory performance of CIGS solar cells (> 20% efficiency) makes them promising candidate photovoltaic devices. However, there remains little understanding of how defects at the CIGS/CdS interface affect the band offsets and interfacial energies, and hence the performance of manufactured devices. To determine these relationships, we use the B3PW91 hybrid functional of DFT with the AEP method that we validate to provide very accurate descriptions of both band gaps and band offsets. This confirms the weak dependence of band offsets on surface orientation observed experimentally. We predict that the CBO of perfect CuInSe₂/CdS interface is large, 0.79 eV, which would dramatically degrade performance. Moreover we show that band gap widening induced by Ga adjusts only the VBO, and we find that Cd impurities do not significantly affect the CBO. Thus we show that Cu vacancies at the interface play the key role in enabling the tunability of CBO. We predict that Na further improves the CBO through electrostatically elevating the valence levels to decrease the CBO, explaining the observed essential role of Na for high performance. Moreover we find that K leads to a dramatic decrease in the CBO to 0.05 eV, much better than Na. We suggest that the efficiency of CIGS devices might be improved substantially by tuning the ratio of Na to K, with the improved phase stability of Na balancing phase instability from K. All these defects reduce interfacial stability slightly, but not significantly.

A number of exotic structures have been formed through high pressure chemistry, but applications have been hindered by difficulties in recovering the high pressure phase to ambient conditions (i.e., one atmosphere and room temperature). Here we use dispersion-corrected DFT (PBE-ulg flavor) to predict that above 60 GPa the most stable form of N₂O (the laughing gas in its molecular form) is a 1D polymer with an all-nitrogen backbone analogous to cis-polyacetylene in which alternate N are bonded (ionic covalent) to O. The analogous trans-polymer is only 0.03-0.10 eV/molecular unit less stable. Upon relaxation to ambient conditions both polymers relax below 14 GPa to the same stable non-planar trans-polymer, accompanied by possible electronic structure transitions. The predicted phonon spectrum and dissociation kinetics validate the stability of this trans-poly-NNO at ambient conditions, which has potential applications as a new type of conducting polymer with all-nitrogen chains and as a high-energy oxidizer for rocket propulsion. This work illustrates in silico materials discovery particularly in the realm of extreme conditions.

Modeling non-adiabatic electron dynamics has been a long-standing challenge for computational chemistry and materials science, and the eFF method presents a cost-efficient alternative. However, due to the deficiency of FSG representation, eFF is limited to low-Z elements with electrons of predominant s-character. To overcome this, we introduce a formal set of ECP extensions that enable accurate description of p-block elements. The extensions consist of a model representing the core electrons with the nucleus as a single pseudo particle represented by FSG, interacting with valence electrons through ECPs. We demonstrate and validate the ECP extensions for complex bonding structures, geometries, and energetics of systems with p-block character (C, O, Al, Si) and apply them to study materials under extreme mechanical loading conditions.

Despite its success, the eFF framework has some limitations, originated from both the design of Pauli potentials and the FSG representation. To overcome these, we develop a new framework of two-level hierarchy that is a more rigorous and accurate successor to the eFF method. The fundamental level, GHA-QM, is based on a new set of Pauli potentials that renders exact QM level of accuracy for any FSG represented electron systems. To achieve this, we start with using exactly derived energy expressions for the same spin electron pair, and fitting a simple functional form, inspired by DFT, against open singlet electron pair curves (H₂ systems). Symmetric and asymmetric scaling factors are then introduced at this level to recover the QM total energies of multiple electron pair systems from the sum of local interactions. To complement the imperfect FSG representation, the AMPERE extension is implemented, and aims at embedding the interactions associated with both the cusp condition and explicit nodal structures. The whole GHA-QM+AMPERE framework is tested on H element, and the preliminary results are promising.

Stability of Electrode-Electrolyte Interfaces during Charging in Lithium Batteries

In this thesis we study the growth of a Li electrode-electrolyte interface in the presence of an elastic prestress. In particular, we focus our interest on Li-air batteries with a solid electrolyte, LIPON, which is a new type of secondary or rechargeable battery. Theoretical studies and experimental evidence show that during the process of charging the battery the replated lithium adds unevenly to the electrode surface. This phenomenon eventually leads to dendrite formation as the battery is charged and discharged numerous times. In order to suppress or alleviate this deleterious effect of dendrite growth, we put forth a study based on a linear stability analysis. Taking into account all the mechanisms of mass transport and interfacial kinetics, we model the evolution of the interface. We find that, in the absence of stress, the stability of a planar interface depends on interfacial diffusion properties and interfacial energy. Specifically, if Herring-Mullins capillarity-driven interfacial diffusion is accounted for, interfaces are unstable against all perturbations of wavenumber larger than a critical value. We find that the effect of an elastic prestress is always to stabilize planar interfacial growth by increasing the critical wavenumber for instability. A parametric study results in quantifying the extent of the prestress stabilization in a manner that can potentially be used in the design of Li-air batteries. Moreover, employing the theory of finite differences we numerically solve the equation that describes the evolution of the surface profile and present visualization results of the surface evolution by time. Lastly, numerical simulations performed in a commercial finite element software validate the theoretical formulation of the interfacial elastic energy change with respect to the planar interface.

Invertible dark-center diffraction of the metal film induced by femtosecond laser

We found reversible dark-center diffraction of the transmitted probe beam passing through the chromium film. which is induced by the pump femtosecond laser. The dark-center diffraction of I he transmitted probe beam appears and disappears with and without the pump beam. A view of diffractive optics with binary phase plate is put forward, which explains the reversible dark-center diffractive optical phenomenon. The pre-ablated hole on the metal film can be regarded as a uniform light filed without phase modulation, the Surrounding Circular part around the pre-ablated hole can be regarded as "phase modulated". Therefore, this diffraction optic view might be helpful for us to understand the phase change of the metal film introduced by the femtosecond laser pulse. (C) 2008 Elsevier B.V, All rights reserved.

Theoretical investigations of experimental gravitation

This thesis has two basic themes: the investigation of new experiments which can be used to test relativistic gravity, and the investigation of new technologies and new experimental techniques which can be applied to make gravitational wave astronomy a reality.

Advancing technology will soon make possible a new class of gravitation experiments: pure laboratory experiments with laboratory sources of non-Newtonian gravity and laboratory detectors. The key advance in techno1ogy is the development of resonant sensing systems with very low levels of dissipation. Chapter 1 considers three such systems (torque balances, dielectric monocrystals, and superconducting microwave resonators), and it proposes eight laboratory experiments which use these systems as detectors. For each experiment it describes the dominant sources of noise and the technology required.

The coupled electro-mechanical system consisting of a microwave cavity and its walls can serve as a gravitational radiation detector. A gravitational wave interacts with the walls, and the resulting motion induces transitions from a highly excited cavity mode to a nearly unexcited mode. Chapter 2 describes briefly a formalism for analyzing such a detector, and it proposes a particular design.

The monitoring of a quantum mechanical harmonic oscillator on which a classical force acts is important in a variety of high-precision experiments, such as the attempt to detect gravitational radiation. Chapter 3 reviews the standard techniques for monitoring the oscillator; and it introduces a new technique which, in principle, can determine the details of the force with arbitrary accuracy, despite the quantum properties of the oscillator.

The standard method for monitoring the oscillator is the "amplitude- and-phase" method (position or momentum transducer with output fed through a linear amplifier). The accuracy obtainable by this method is limited by the uncertainty principle. To do better requires a measurement of the type which Braginsky has called "quantum nondemolition." A well-known quantum nondemolition technique is "quantum counting," which can detect an arbitrarily weak force, but which cannot provide good accuracy in determining its precise time-dependence. Chapter 3 considers extensively a new type of quantum nondemolition measurement - a "back-action-evading" measurement of the real part X₁ (or the imaginary part X₂) of the oscillator's complex amplitude. In principle X₁ can be measured arbitrarily quickly and arbitrarily accurately, and a sequence of such measurements can lead to an arbitrarily accurate monitoring of the classical force.

Chapter 3 describes explicit gedanken experiments which demonstrate that X₁ can be measured arbitrarily quickly and arbitrarily accurately, it considers approximate back-action-evading measurements, and it develops a theory of quantum nondemolition measurement for arbitrary quantum mechanical systems.

In Rosen's "bimetric" theory of gravity the (local) speed of gravitational radiation v_g is determined by the combined effects of cosmological boundary values and nearby concentrations of matter. It is possible for v_g to be less than the speed of light. Chapter 4 shows that emission of gravitational radiation prevents particles of nonzero rest mass from exceeding the speed of gravitational radiation. Observations of relativistic particles place limits on v_g and the cosmological boundary values today, and observations of synchrotron radiation from compact radio sources place limits on the cosmological boundary values in the past.

新一代无机相变光存储材料研究进展

光存储技术正在向着大容量、高数据传输率的方向发展。新一代的光存储将从目前广泛使用的红光波段向蓝光波段发展。综述了可用于新一代高密度光存储无机相变材料的研究现状和最新进展，并对今后的发展前景进行了简要的展望。

激光辐照引起Ge2Sb2Te5非晶态薄膜的电/光性质变化

研究了激光辐照引起Ge2Sb2Te5非晶态薄膜的电/光性质变化,当激光功率为580mW时薄膜的方块电阻有四个数量级（10^7～10^3Ω/□）的突变;对电阻发生突变前、中、后的三个样品进行了XRD测试,结果表明,随着激光功率的增大,薄膜由非晶态向晶态转变,用椭偏仪测试了结构转变前、中、后三个样品的光学常数,在可见光范围内薄膜的光学常数在波长相同情况下有：n（非晶态）〉n（中间态）〉n（晶态）,k（晶态）〉k（中间态）〉k（非晶态）,α（晶态）〉α（中间态）〉α（非晶态）,结合电阻变化曲线和XRD图谱讨论了激光辐照Ge2Sb2Te5非晶态薄膜的电/光性质变化同激光功率和结构转变之间的关系.

Structure and properties of amorphous thin film for optical data storage

In this paper the magnetic and magneto-optical properties of amorphous rare earth-transition metal (RE-TM) alloys as well as the magnetic coupling in the multi-layer thin films for high density optical data storage are presented. Using magnetic effect in scanning tunneling microscopy the clusters structure of amorphous RE-TM thin films has been observed and the perpendicular magnetic anisotropy in amorphous RE-TM thin films has been interpreted. Experimental results of quick phase transformation under short pulse laser irradiation of amorphous semiconductor and metallic alloy thin films for phase change optical recording are reported. A step-by-step phase transformation process through metastable states has been observed. The waveform of crystallization propagation in micro-size spot during laser recording in amorphous semiconductor thin films is characterized and quick recording and erasing mechanism for optical data storage with high performance are discussed. The nonlinear optical effects in amorphous alloy thin films have been studied. By photo-thermal effect or third order optical nonlinearity, the optical self-focusing is observed in amorphous mask thin films. The application of amorphous thin films with super-resolution near field structure for high-density optical data storage is performed. (c) 2007 Elsevier B.V. All rights reserved.

Super-resolution scanning laser microscopy with a third-order optical nonlinear thin film

In a configuration of optical far-field scanning microscopy, super-resolution achieved by inserting a third-order optical nonlinear thin film is demonstrated and analyzed in terms of the frequency response function. Without the thin film the microscopy is diffraction limited; thus, subwavelength features cannot be resolved. With the nonlinear thin film inserted, the resolution is dramatically improved and thus the microscopy resolves features significantly smaller than the smallest spacing allowed by the diffraction limit. A theoretical model is established and the device is analyzed for the frequency response function. The results show that the frequency response function exceeds the cutoff spatial frequency of the microscopy defined by the laser wavelength and the numerical aperture of the convergent lens. The main contribution to the improvement of the cutoff spatial frequency is from the phase change induced by the complex transmission of the nonlinear thin film. Experimental results are presented and are shown to be consistent with the results of theoretical simulations.

飞秒激光辐照ZnO晶体

利用飞秒激光对ZnO晶体进行辐照，对辐照前后的晶体样品进行发光光谱及拉曼光谱检测。辐照后发光光谱的某些发光峰强度有明显增强，但未产生新的发光峰，表明没有新的缺陷结构产生，但晶体内锌空位、间隙位锌、间隙位缺陷浓度增加。拉曼光谱结果表明，辐照后ZnO晶体未产生相变，但随着辐照激光功率的增大，拉曼峰327 cm-1，437 cm-1强度明显减弱，表明在飞秒激光辐照作用下氧化锌的结晶程度下降。但574 cm-1峰值却随着辐照功率的增大而变大，分析表明该拉曼峰很可能是由于晶体内间隙位缺陷所致。同时实验过程中观察到飞