Chemical bond analysis of the correlation between crystal structure and nonlinear optical properties of complex crystals

Second order nonlinear optical (NLO) properties of single crystals with complex structures are studied, from the chemical bond viewpoint. Contributions of each type of constituent chemical bond to the total linearity and nonlinearity are calculated from the actual crystal structure, using the chemical bond theory of complex crystals and the modified bond charge model. We have quantitatively proposed certain relationships between the crystal structure and its NLO properties. Several relations have been established from the calculation. Our method makes it possible for us to identify, predict and modify new NLO materials according to our needs. (C) 1999 Elsevier Science B.V. All rights reserved.

北京市中学生考试焦虑状况及其相关因素分析

In order to analyze the test anxiety of Beijing's high school students, relevant factors affecting test anxiety and how those factors have effect on the test anxiety of those high school students, a cross-sectional study had been conducted among 2,089 students randomly selected from 15 high schools in Beijing, using the Test Anxiety Scale（TAS）, Parenting Style Scale (PSS) and Academic Aggregate Graphic (AAG). Five months later, 194 students from one of those high schools were retested with TAS with students remaining anonymous. In the retest, the classes and birth dates of those students were strictly matched. This paper is composed of three parts to examine the issue. The first part examines the test anxiety among high school students in Beijing and establishes the model; the second part conducts a comparative study of issues related to test anxiety and academic performance; the third part examines the factors affecting test anxiety and establishes the model. Results showed that: 1. The reliability and validity of TAS are satisfied and can meet survey requirement. The 25-item version of TAS turned out to have equal or even better performance compared with the original 37-item version. 2. Incidence of test anxiety in high schools of Beijing: 57.9 percent of samples have an overall score at or higher 15. 55 percent of male student samples have a score at or higher than 15 while that for female student samples is 61 percent. A score of 20 refers to fairly serious test anxiety and 31.9 percent of samples have a score over 20. 28.1 percent of the male student samples have a score of over 20 while that for female student samples is 35.9 percent. 3. The effect of grade and sex and the interaction between the two factors are statistically significant. Female students have higher test anxiety than male students and the level of test anxiety varies from grade to grade. 4. Samples are divided into two groups, one with test anxiety and the other without. The academic performance gap between the two groups is very significant. There is a significant negative correlation between academic score and test anxiety. 5. There is a negative correlation between test anxiety and mastery goal orientation and a positive correlation between test anxiety and performance goal orientation. Students with higher academic self-efficiency have lower test anxiety. The more one thinks study is valuable, the lower his/her test anxiety is. Those whose parents communicate smoothly with them have lower test anxiety. Those whose parents have an inconsistent communication style have higher test anxiety. 6. Achievement goal is mediate variable for the effect of lack of values on test anxiety. 7. The indirect effect of introduction of achievement goal and parenting style, including communication, monitoring and communication consistence, on test anxiety is significant. Key words: Test anxiety，reliability, validity, self-efficiency，parenting style，achievement goal orientation, academic values, academic score

中国企业员工组织承诺研究

The research objectives were to investigate the psychological structure of employees' organizational commitments(OCs), and its antecedents, and to examine the relative effects of employees' OCs to their performances. In order to deeply uncover the nature of OCs, some standard methods, such as in-depth interview, focus-group, semi-open questionnaire, standard questionnaire etc., were employed. In data analysis, not only some common statistical methods, such as multivariate analysis of variance, cross-table analysis, factor analysis, but also some forefront ones, such as confirmatory factor analysis and path analysis of SEM, were used. The paper covers six chapters: 1) In the first chapter, Firstly some previous empirical studies, which examined structures, antecedents, correlates, and/or consequences of organizational commitment in China and Western countries, were summarized. This summary covers most of the respectable researchers' works of this field, such as H.S.Becker, B.Buchanan, L.W.Porter, G. Ritzer, H.M.Trice, J.A.Alutto, L.G.Hrebiniak, R.T.Mowday, J.P.Meyer, N.J.Allen, G.W.McGee, R.C.Ford, R.Eisenberger, etc. Then three theoretical hypothesis were put forward as following: ① In China, OCs should be multidimensional psychological structures, which means there should exist more than one type of OCs; ② There should be some different antecedents to different OCs; ③ Employees with different types of OC should perform differently in their works. Finally the theoretical and practical significance were discussed. 2) In the second chapter, great efforts were made to investigate the OC types. Firstly, in-depth interview with managers and employees, semi-open questionnaire, and some other methods were used in the pilot research to gather much qualitative material. Then OC questionnaire was designed to get quantitative data in about 20 enterprises, including state-owned, collective-owned, wholly foreign-funded, and joint-ventures. During revising of this questionnaire, there were about 5000 samples surveyed. after factor analysis, the data shows that there should be 5 types of OCs in China, which were respectively named as Affective Commitment, Normative commitment, Ideal Commitment, Economic Commitment, Choice Commitment. Thirdly, confirmatory factor analysis method was used to successfully confirm this 5-factor model. Finally, Cronbach a and test-retest correlate indicate that this questionnaire is reliable. Since factor analysis result has show its construct validity, a simple criterion-related validity research was conducted. 3) In order to investigate the correlation between different OC and employee performance and different antecedents of OC, 5 other questionnaires, such as Employee Satisfaction Questionnaire, Perceived Organizational Support Questionnaire, Social Exchange Questionnaire, Altruism Scale, and Leader Confidence Scale were revised in the third chapter. 4)In the fourth chapter, a lot of correlates, cross-table analysis were conducted to show the correlation between different OCs and 10 performances, which indicate employees with different OCs will show different performance in 10 variables, such as altruism, etc. 5) In the fifth chapter, correlate analysis, multivariate of analysis, and path analysis of SEM were used to investigate the antecedents of OC. A satisfactory model showing the correlation between OC and their antecedents was confirmed. 6) In the last chapter, all researches about OC, and its limitations were summarized.

CO adsorption and correlation between CO surface coverage and activity/selectivity of preferential CO oxidation over supported Ag catalyst: an in situ FTIR study

In situ IR measurements for CO adsorption and preferential CO oxidation in H-2-rich gases over Ag/SiO2 catalysts are presented in this paper. CO adsorbed on the Ag/SiO2 pretreated with oxygen shows a band centered around 2169 cm(-1), which is assigned to CO linearly bonded to Ag+ sites. The amount of adsorbed CO on the silver particles ( manifested by an IR band at 2169 cm(-1)) depends strongly on the CO partial pressure and the temperature. The steady-state coverage on the Ag surface is shown to be significantly below saturation, and the oxidation of CO with surface oxygen species is probably via a non-competitive Langmuir Hinshelwood mechanism on the silver catalyst which occurs in the high-rate branch on a surface covered with CO below saturation. A low reactant concentration on the Ag surface indicates that the reaction order with respect to Pco is positive, and the selectivity towards CO2 decreases with the decrease of Pco. On the other hand, the decrease of the selectivity with the reaction temperature also reflects the higher apparent activation energy for H-2 oxidation than that for CO oxidation.

Era uma vez dentro de nós!

Dissertação apresentada à Universidade Fernando Pessoa como parte dos requisitos para obtenção do grau de Mestre em Criatividade e Inovação

Pyramidal quantum dots: single and entangled photon sources and correlation studies

Practical realisation of quantum information science is a challenge being addressed by researchers employing various technologies. One of them is based on quantum dots (QD), usually referred to as artificial atoms. Being capable to emit single and polarization entangled photons, they are attractive as sources of quantum bits (qubits) which can be relatively easily integrated into photonic circuits using conventional semiconductor technologies. However, the dominant self-assembled QD systems suffer from asymmetry related problems which modify the energetic structure. The main issue is the degeneracy lifting (the fine-structure splitting, FSS) of an optically allowed neutral exciton state which participates in a polarization-entanglement realisation scheme. The FSS complicates polarization-entanglement detection unless a particular FSS manipulation technique is utilized to reduce it to vanishing values, or a careful selection of intrinsically good candidates from the vast number of QDs is carried out, preventing the possibility of constructing vast arrays of emitters on the same sample. In this work, site-controlled InGaAs QDs grown on (111)B oriented GaAs substrates prepatterned with 7.5 μm pitch tetrahedrons were studied in order to overcome QD asymmetry related problems. By exploiting an intrinsically high rotational symmetry, pyramidal QDs were shown as polarization-entangled photon sources emitting photons with the fidelity of the expected maximally entangled state as high as 0.721. It is the first site-controlled QD system of entangled photon emitters. Moreover, the density of such emitters was found to be as high as 15% in some areas: the density much higher than in any other QD system. The associated physical phenomena (e.g., carrier dynamic, QD energetic structure) were studied, as well, by different techniques: photon correlation spectroscopy, polarization-resolved microphotoluminescence and magneto-photoluminescence.

Probing polarization and dielectric function of molecules with higher order harmonics in scattering-near-field scanning optical microscopy

The idealized system of an atomically flat metallic surface [highly oriented pyrolytic graphite (HOPG)] and an organic monolayer (porphyrin) was used to determine whether the dielectric function and associated properties of thin films can be accessed with scanning-near-field scanning optical microscopy (s-NSOM). Here, we demonstrate the use of harmonics up to fourth order and the polarization dependence of incident light to probe dielectric properties on idealized samples of monolayers of organic molecules on atomically smooth substrates. An analytical treatment of light/sample interaction using the s-NSOM tip was developed in order to quantify the dielectric properties. The theoretical analysis and numerical modeling, as well as experimental data, demonstrate that higher order harmonic scattering can be used to extract the dielectric properties of materials with tens of nanometer spatial resolution. To date, the third harmonic provides the best lateral resolution (∼50 nm) and dielectric constant contrast for a porphyrin film on HOPG. © 2009 American Institute of Physics.

Spatial and temporal scales of neuronal correlation in visual area V4.

The spiking activity of nearby cortical neurons is correlated on both short and long time scales. Understanding this shared variability in firing patterns is critical for appreciating the representation of sensory stimuli in ensembles of neurons, the coincident influences of neurons on common targets, and the functional implications of microcircuitry. Our knowledge about neuronal correlations, however, derives largely from experiments that used different recording methods, analysis techniques, and cortical regions. Here we studied the structure of neuronal correlation in area V4 of alert macaques using recording and analysis procedures designed to match those used previously in primary visual cortex (V1), the major input to V4. We found that the spatial and temporal properties of correlations in V4 were remarkably similar to those of V1, with two notable differences: correlated variability in V4 was approximately one-third the magnitude of that in V1 and synchrony in V4 was less temporally precise than in V1. In both areas, spontaneous activity (measured during fixation while viewing a blank screen) was approximately twice as correlated as visual-evoked activity. The results provide a foundation for understanding how the structure of neuronal correlation differs among brain regions and stages in cortical processing and suggest that it is likely governed by features of neuronal circuits that are shared across the visual cortex.

Correlation of solder paste rheology with computational simulations of the stencil printing process

Soldering technologies continue to evolve to meet the demands of the continuous miniaturisation of electronic products, particularly in the area of solder paste formulations used in the reflow soldering of surface mount devices. Stencil printing continues to be a leading process used for the deposition of solder paste onto printed circuit boards (PCBs) in the volume production of electronic assemblies, despite problems in achieving a consistent print quality at an ultra-fine pitch. In order to eliminate these defects a good understanding of the processes involved in printing is important. Computational simulations may complement experimental print trials and paste characterisation studies, and provide an extra dimension to the understanding of the process. The characteristics and flow properties of solder pastes depend primarily on their chemical and physical composition and good material property data is essential for meaningful results to be obtained by computational simulation.This paper describes paste characterisation and computational simulation studies that have been undertaken through the collaboration of the School of Aeronautical, Mechanical and Manufacturing Engineering at Salford University and the Centre for Numerical Modelling and Process Analysis at the University of Greenwich. The rheological profile of two different paste formulations (lead and lead-free) for sub 100 micron flip-chip devices are tested and applied to computational simulations of their flow behaviour during the printing process.

Continuous assessment activities - correlation with final exam grades and effect on final grades. A business studies experience

In this paper we analyze the partial grades – of continuous assessment activities including the final exam – and the final grades – computed as a weighted average of partial grades – for nine subjects taught in the third year of Business Administration Degree. On one hand, results show that there is a significant positive correlation between the grades of continuous assessment activities (excluded the final exam) and final exam in seven subjects. On the other hand, overall we find that students’ grades in continuous assessment activities (excluded the final exam) help in the improvement of their final grades (i.e., students’ final grades exceed the grades that they would obtain by only taking into account their final exam grades). The results are consistent when the analysis is carried out over each subject area as well as over the grades of the students who registered for the nine subjects.

Commonality in Returns, Order Flows, and Liquidity in the Greek Stock Market

Using a unique high-frequency data-set on a comprehensive sample of Greek blue-chip stocks, spanning from September 2003 through March 2006, this note assesses the extent and role of commonality in returns, order flows (OFs), and liquidity. It also formally models aggregate equity returns in terms of aggregate equity OF, in an effort to clarify OF's importance in explaining returns for the Athens Exchange market. Almost a quarter of the daily returns in the FTSE/ATHEX20 index is explained by aggregate own OF. In a second step, using principal components and canonical correlation analyses, we document substantial common movements in returns, OFs, and liquidity, both on a market-wide basis and on an individual security basis. These results emphasize that asset pricing and liquidity cannot be analyzed in isolation from each other.

Quantitative genetics of preference and performance on chickpeas in the noctuid moth, Helicoverpa armigera

If a novel, resistant host-plant genotype arises in the environment, insect populations utilising that host must be able to overcome that resistance in order that they can maintain their ability to feed on that host. The ability to evolve resistance to host-plant defences depends upon additive genetic variation in larval performance and adult host-choice preference. To investigate the potential of a generalist herbivore to respond to a novel resistant host, we estimated the heritability of larval performance in the noctuid moth, Helicoverpa armigera, on a resistant and a susceptible variety of the chickpea, Cicer arietinum, at two different life stages. Heritability estimates were higher for neonates than for third-instar larvae, suggesting that their ability to establish on plants could be key to the evolution of resistance in this species; however, further information regarding the nature of selection in the field would be required to confirm this prediction. There was no genetic correlation between larval performance and oviposition preference, indicating that female moths do not choose the most suitable plant for their offspring. We also found significant genotype by environment interactions for neonates (but not third-instar larvae), suggesting that the larval response to different plant genotypes is stage-specific in this species.

Exchange-correlation energy and potential as approximate functionals of occupied and virtual Kohn-Sham orbitals: Application to dissociating H-2

The standard local density approximation and generalized gradient approximations fail to properly describe the dissociation of an electron pair bond, yielding large errors (on the order of 50 kcal/mol) at long bond distances. To remedy this failure, a self-consistent Kohn-Sham (KS) method is proposed with the exchange-correlation (xc) energy and potential depending on both occupied and virtual KS orbitals. The xc energy functional of Buijse and Baerends [Mol. Phys. 100, 401 (2002); Phys. Rev. Lett. 87, 133004 (2001)] is employed, which, based on an ansatz for the xc-hole amplitude, is able to reproduce the important dynamical and nondynamical effects of Coulomb correlation through the efficient use of virtual orbitals. Self-consistent calculations require the corresponding xc potential to be obtained, to which end the optimized effective potential (OEP) method is used within the common energy denominator approximation for the static orbital Green's function. The problem of the asymptotic divergence of the xc potential of the OEP when a finite number of virtual orbitals is used is addressed. The self-consistent calculations reproduce very well the entire H-2 potential curve, describing correctly the gradual buildup of strong left-right correlation in stretched H-2. (C) 2003 American Institute of Physics.

The use of ensemble empirical mode decomposition with canonical correlation analysis as a novel artifact removal technique

Biosignal measurement and processing is increasingly being deployed in ambulatory situations particularly in connected health applications. Such an environment dramatically increases the likelihood of artifacts which can occlude features of interest and reduce the quality of information available in the signal. If multichannel recordings are available for a given signal source, then there are currently a considerable range of methods which can suppress or in some cases remove the distorting effect of such artifacts. There are, however, considerably fewer techniques available if only a single-channel measurement is available and yet single-channel measurements are important where minimal instrumentation complexity is required. This paper describes a novel artifact removal technique for use in such a context. The technique known as ensemble empirical mode decomposition with canonical correlation analysis (EEMD-CCA) is capable of operating on single-channel measurements. The EEMD technique is first used to decompose the single-channel signal into a multidimensional signal. The CCA technique is then employed to isolate the artifact components from the underlying signal using second-order statistics. The new technique is tested against the currently available wavelet denoising and EEMD-ICA techniques using both electroencephalography and functional near-infrared spectroscopy data and is shown to produce significantly improved results. © 1964-2012 IEEE.

Serving Multiple Masters: Exploring HRD in the Context of Third Sector Partnerships for Public Service Delivery

Organisations in the Non-Profit and Voluntary (NPV) sector increasingly face challenging and uncertain times with an increasing shift from public grant funding towards contract funding. As a result many of these changes employees in such organisations have often found themselves working more closely under contract with colleagues in public sector organisations in order to provide public services. Using a multiple case study methodology and in-depth interviewing of a range of stakeholders form two large Northern Irish based Non Profit Organisations in the social care sector, the purpose of this research was to
investigate HRD and people management issues and how a turbulent environment can affect how organisations approach HRD strategy and implementation.

The research identifies the importance placed upon NPOs adopting HRD strategies and addressing the development of unique and specialised skills in order to claw back power within the relationships they serve with statutory funding bodies. However this research also notes that the manner in which HRD and its associated issues are considered within NPOs can have an impact on the loyalty and commitment of the workforce which serves them. What is of concern is that the context for the delivery of public services under contract is putting increasing strain on NPOs and this has been felt markedly by their respective workforces, and unless strong values-led leadership and managerial practice is in
place in NPOs, the voluntary-centred ethos of those who work in the sector may be significantly damaged.