Miracle-dz/UniFAR-FTUs huggingface dataset:
Density Functional Perturbation Theory to Predict Piezoelectric Properties

Among the various computational methods in materials science, only first-principles cal- culation based on the density functional theory has predictability for unknown material. Especially, density functional perturbation theory (DFPT) can effectively calculate the second derivative of the total energy with respect to the atomic displacement. By using DFPT method, we can predict piezoelectric constants, dielectric constants, elastic con - stants, and phonon dispersion relationship of any given crystal structure. Recently, we established the computational technique to decompose piezoelectric constants into each atomic contribution, which enable us to gain deeper insights to understand the piezo electricity of material. Therefore, in this chapter, we will introduce the computational framework to predict piezoelectric properties of polar material by means of DFPT and details of decomposition technique of piezoelectric constants. Then, we will show some case studies to predict and discover new piezoelectric material.
Economic Forces, Sentiment and Emerging Eastern European Stock Markets

The aim of the current study is to explore the effect of macroeconomic news on stock returns in Eastern European countries, combining market and macroeconomic data over the period of 2000-2009, during which the markets experienced excessive optimistic and pessimistic episodes. Hypothesising the asymmetry in stock price responses to good and bad news, we seek to test its degree under the specific market conditions. The error correction models for each country are extended with fixed effects panel data specification, for capturing the crosssectional effects of the state of the market on the return responses to macroeconomic news. The key methodological problem addressed in recent research is how to relate daily stock data and monthly macroeconomic data. The aggregation of stock returns to monthly averages has several advantages over macroeconomic data disaggregation to irregular frequencies or calendar methods. Since the macroeconomic data is large1, we exploit data mining techniques to reasonably fit the monthly averages of the stock returns and panel data analysis to capture the common patterns typical to Eastern European stock markets. Consistently with prior empirical evidence, we find that the market reacts negatively to news when the market and/or economy is strong, but macroeconomic news is more of a long-term driver, and, therefore, affects trends more than short-run fluctuations.
Fast Microplasma Synthesis of Blue Luminescent Carbon Quantum Dots at Ambient Conditions

Fast, environmentally friendly synthesis of blue-luminescent carbon quantum dots (C-dots) at ambient conditions (i.e., room temperature and atmospheric pressure) is presented. The as synthesized C-dots are of a relatively size uniform distribution with a peak at approximately 2.4 nm. The photoluminescence show that the emission peak of C-dots shifts from 443 nm to more than 456 nm as the excitation sources is varied from 360–410 nm. The majority of C-dots produced are predominantly graphitic in nature based on the Raman spectroscopy. The plasma-assisted non-equilibrium reactive chemistry induces chemical reactions and accelerates the C-dot formation process.
Causal feature selection for predicting interventions

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Tensile and Flexural Deformation of Nickel Nanowires via Molecular Dynamics Simulations

Metallic nanowires show great potential for applications in minimization of electronic devices due to their extraordinary mechanical strength and electrical properties. Their desirable property characteristics with the smallest dimensions for efficient transport of electrons show potential for use as interconnects and critical devices in nanoelectronics and nano-optoelectronics (Chen, et al., 2006). These metallic nanowires also show potential for applications in electronic packaging, nanoelectronic and nano mechanical devices. A significant issue in the application of these metallic nanowires is their structural strength and stability under mechanical and thermal loading conditions. The deformation behavior of these nanowires under different mechanical loads (for e.g., tensile, bending) is poorly known. Experimental investigations of these behaviors are impractical due to their size and the complications of applying these loading conditions via nano load cells within high resolution microscope systems. Computational techniques based on molecular dynamics (MD) simulations of the representative atomistic configuration of the metallic nanowires provide an effective means of understanding the mechanical deformation behavior of these nanowires. In this chapter, we discuss the tensile and flexural dynamic deformation behavior of the Nickel (Ni) nanowires due to tensile loading and flexural bending via molecular dynamics simulations. The tensile and flexural deformation behaviors based on the atomistic model configurations of Nickel nanowires are analyzed. The stress-strain constitutive behavior, tensile strength and the Young’s modulus for various Ni nanowire configurations are investigated and presented. The natural frequency of the flexural deformation of these nanowires via molecular dynamics simulations is obtained and analyzed. The simulation of the deformation behavior in metallic nanowires modeled as atomistic systems at finite temperatures is a dynamic process and is conducted using classical molecular dynamics. Focusing on the mechanical behavior of nanowires, it is known that the properties of material configurations at nanometer dimensions can be rather different from those of the bulk material. In the past decades, the rapid progress of miniaturization of electronic devices and nanoscale measurement systems has aroused an interest in nanometer scale materials such as nanowires (Ju, 2004) (Liang, 2003) (Park, 2005) (Silva et. al., 2004), (Silva, 10
Growth interdependence among Indian states: an exploration

The objectives of this paper are to test whether there are any significant trickling down effects of economic growth across the Indian states and to identify the factors influencing the existence of such effects. Using data from 1971 to 1998, and the standard statistical test of causality, this study suggests that the transmission of growth impulses across states have been limited. The results indicate that the structure of the economies, the growth rates of the states and the quality of state-specific institutions appear to raise the potential for significant trickle down growth effects across states.
Comparative Microbial Analysis of Earthworm Casts Collected From Ikenne, Ogun State,Nigeria

A comparative assessment of the physicochemical parameters and microbial profile of three types of earthworm casts (Pellet, Mass and Turret) were determined. The total viable count (TVC), coliform counts, yeast and mould counts were determined using standard procedures. The pH ranged from 7.8 for Mass cast to 8.6 for Pellet cast. Moisture content of the casts ranged from 29.43% for pellet casts to 47.10% for turret casts. Organic matter was 1.05%, 0.72% and 0.63% for pellet, turret and mass casts respectively. TVC was 4.8 x 107cfu/g, 6.1 x 107cfu/g and 1.2 x 108cfu/g for Mass, Turret and Pellet casts respectively. Pellet cast recorded the highest coliform count (1.5 x 107) while Turret cast the least (7.3 x 106 cfu/g). Mould counts was 8.3 x 106 cfu/g for turret cast and 1.2 x 107cfu/g for pellet and mass casts. The lowest yeasts count was 1.2 x 107cfu/g in mass cast while the highest was 3.8 x 107cfu/g for pellet cast. Microbial distribution in the three casts types showed that Staphylococcus aureus is common to all Cast-types. Citrobacter spp, Pseudomonas fluorescens, Penicillium chrysogenum and S. rosei were isolated from Pellet cast only. Aspergillus fumigatus, Fusarium oxisporum, Pseudomonas aeruginosa and Penicillium oxalicum were isolated from only Turret Cast while Aspergillus terreus, Fusarium compacticum, Klebsiella aerogenes and Streptococcus feacalis were isolated from Mass Cast only. The presence of Bacillus licheniformis in Pellet Cast is an advantage plus for Pellet cast usage since this bacteria contributes to nutrient cycling and displays antifungal activities. Keywords: Pellet cast, Turret cast, Mass cast, Microbial Count,
Why decide: is a user's estimation of job completion time useful in grid resource allocation?

There are many resource allocation mechanisms for grid computing. One trait that many allocation mechanisms have, is that they require the user to estimate how long their task will take to execute on a system. The result of the user’s input can have a considerable impact on scheduling, and can affect the grids ability to meet quality of service requirements for other jobs. Incorrect estimates by users could result in other jobs being turned away that should not have, or jobs being accepted, that should not have been.
Does Non-linearity Matter in Retail Credit Risk Modeling?

In this research we propose a new method for retail credit risk modeling. In order to capture possible non-linear relationships between credit risk and explanatory variables, we use a learning vector quantization (LVQ) neural network. The model was estimated on a dataset from Slovenian banking sector. The proposed model outperformed the benchmarking (LOGIT) models, which represent the standard approach in banks. The results also demonstrate that the LVQ model is better able to handle the properties of categorical variables.
Design, Realization And Measurements of Microstrip Patch Antenna Using Three Direct Feeding Modes For 2.45ghz Applications

A microstrip patch antenna is a metal patch placed on a substrate. Different feeding modes are used such as: coaxial probe feed, microstrip line feed, proximity-coupled feed, coplanar wave guide feed (CPW) and others. These feeding modes are divided in two kinds, direct or indirect. The patch can take different shapes; the most known forms are rectangular, square, circular, hexagonal. The microstrip patch antenna is low-profile, conformable to planar and non-planar surfaces, simple and cheap to manufacture using modern printed-circuit technology. In this paper, a microstrip patch antenna for 2.45GHz applications is designed based on the transmission line method. The design is optimized with the Method of the Moments (frequency domain method) because it’s one of the accurate methods for wire and planar antennas. The three direct feeding modes are studied, manufactured and measured. Simulations were performed with CADFEKO and measurements were performed with Vector Network Analyzer (VNA) Anritsu MS2026C.
INHOMOGENEOUS MAGNETIC MEDIA: WAVE PROPAGATION AND MAGNETIC PERMEABILITY RECONSTRUCTION

In this paper we study the electromagnetic (EM) wave propagation in a perfect magnetic medium with continuously varying magnetic permeability m(z) in one direction. We consider the inhomogeneity to be arbitrary and described by an infinite power series of z and use the Frobenious method to solve the governing differential equation of the problem in the frequency domain. We also give special attention to the first cut-off frequency of the main mode TM11 and we propose a good estimation for it by means of the mean value of the magnetic permeability profile. The results from the mathematical analysis are applied to solve the direct problem of wave propagation in a system of three waveguides having two homogeneous filling materials and one that exhibits such inhomogeneous characteristics. We finally confront the inverse problem of magnetic permeability reconstruction by handling simulation data and a genetic optimization algorithm.
LOCAL ACTION WITH INTERNATIONAL COOPERATION TO IMPROVE AND SUSTAIN WATER, SANITATION AND HYGIENE SERVICES Making WASH monitoring and evaluation work for everyone: the experience of the DRC WASH consortium

The DRC WASH Consortium, comprised of five international NGOs led by Concern Worldwide, has been active in DRC since 2013 with a rural WASH programme reaching nearly 750,000 people. One of the Consortium’s key goals is complementarity with DRC’s national rural WASH programme, therefore harmonising the Consortium’s monitoring & evaluation framework with the national programme’s standards has been a strategic requirement. In addition, the Consortium needs to comply with its donor’s global WASH indicators (UKaid) and to measure the success of its own programme approach according to key indicators. The process of defining those multiple sets of requirements and of integrating them in a consistent whole has resulted in a multidimensional monitoring & evaluation framework. This paper describes this process and highlights the challenges and potential of monitoring WASH in similar contexts.
Identification of Campsis Flos and its common adulterants using ITS2 sequence of DNA molecular barcoding

Internal transcribed spacer 2 (ITS2) is known as a good sequence of DNA molecular barcoding. In this study, the authors authenticated Campsis Flos and its common adulterants based on ITS2 sequence. Campsis Flos has been used in traditional Chinese medicine for many years as a blood activator to promote menstruation. Among its adulterants in the market, the most common are the flowers of Paulownia tomentosa, Hibiscus syriacus and Rhododendron molle. To discriminate Campsis Flos from these adulterants and control its quality, safety and efficacy, the total genomic DNA was extracted from the leaves of Campsis grandiflora, Campsis radicans, and their common adulterants. The internal transcribed spacer 2 (ITS2) of ribosomal DNA was sequenced after PCR amplifying. A neighbor-joining (NJ) tree was constructed using MEGA 6.0. The ITS2 secondary structure was predicted by an ITS2 web server. The results showed that the ITS2 sequence lengths of C. grandiflora, C. radicans, and P. tomentosa were 246–248, 246, and 229–233 bp, respectively. The ITS2 sequence lengths of H. syriacus, H. syriacus L. f. var. syriacus f. amplissimus, and R. molle were all 230 bp. The ITS2 secondary structure of Campsis Flos was then effectively distinguished from its adulterants. In conclusion, barcode ITS2 sequence could be used to rapidly and accurately identify Campsis Flos from its adulterants to promote quality control and standardization.
Management of quality-related costs. The case of Portuguese companies

The traditional view of quality-related costs (QRC) tries to justify investment in prevention as a way to reduce the costs of failure. But this static view must counter a more dynamic vision that fosters continuous improvement and assesses the costs and benefits of implementing techniques and methods of quality management, such as certification of ISO 9001systems. However, it is unknown whether such companies are also engaged in the management of QRC arising from activities undertaken, either at the level of monitoring, or coming from failures, and if such organisations verify (or not) the recovery of investments in quality. In this sense, the present article aims to provide insight into the procedures adopted by Portuguese companies in managing QRC, and to assess the extent to which management reports allow the analysis of quality costs and contribute to the related planning and control activities. The results of this study showed that there is hardly any assent to the implementation of formal mechanisms for planning and control of QRC, and to the explicit identification and segregation of those costs in management reports.
SPECTRAL ANALYSIS OF PRESSURE FLUCTUATION S IN FLUIDIZED BEDS UNDER DIFFERENT REGIMES - A NUMERICAL STUDY

Fluidized beds are used in various industrial processes in which a great contact between a fluid and a particulate solid phase is desired. In this paper, an Eulerian two - fluid - model was employed in the numerical simulation of the fluid dynamics of two flui dized bed reactors under different fluidization regimes - bubbling and fast fluidization - with Geldart - B particles. The objective of this work was to analyze the pressure fluctuations resulting from these simulations in order to get an insight of the main features of the fluid dynamics and to identify differences between different regimes concerning P ower S pectral D ensity. The Power Spectral Density was obtained via Fourier transform of the pressure fluctuation s at different positions in each reactor. The bubbling regime was characterized by peaks in frequencies of 1. 5 and 2. 2 Hz, while the fast fluidization regime was characterized by a peak at a very low frequency of 0.12 Hz, which is believed to be related to the frequency of falling clusters.
Climate change impacts on zooplankton and benthic communities in Lake Unterer Giglachsee (Niedere Tauern Alps, Austria)

We examined a sediment core from a climatically sensitive High Alpine lake Unterer Giglachsee in the Niedere Tauern Alps in Austria. Our aim was to investigate long-term climate change impacts on aquatic invertebrates (Chironomidae, Cladocera) with a special focus on the ending of the Little Ice Age and the present climate warming. Although the changes in faunal assemblages were relatively subtle through the sedimentary record, a mutual faunal breakpoint at � 1900 AD was distinguished. In addition, the faunal dynamics correlated closely with instrumental Alpine temperature records and with reconstructed Northern Hemisphere climate development over the examined time period. In particular, significant relationships between relative taxa abundance and temperature were found with chironomids Sergentia, Paracladius, Paratanytarsus austriacus-type, Cricotopus (I.) intersectus-type, and Cricotopus cylindraceus-type and with cladocerans Daphnia and Alonella excisa. Our results also suggested that the most recent assemblages represent unique community compositions. We conclude that our study lake is sensitive to climate warming and the composition of the aquatic ecosystem in Unterer Giglachsee has changed due to the impact of increasing temperatures. We predict that the further increasing temperatures will have direct but also cascading effects on the sensitive lake, potentially causing an ecosystem turnover where the key taxon Paracladius may play an important role.
A study to evaluate the anthropometric profile among Punjabi boys

Anthropometry is the study of measurement of shape, size and proportions of human body. It is the important measure to assess physical characteristics and growth pattern of human body. The purpose of the study is to evaluate the important anthropometric measures among Punjabi boys. 40 hostel living Punjabi boys were participated in a study. The simple random sampling was used for the selection of the subjects. The anthropometric measurements taken for the assessment of subjects are height, body weight, body mass index (BMI), waist circumference, hip circumference and waist hip ratio (WHR). The results of the present study indicated that, the mean height, weight and BMI with standard deviation of Punjabi boys was 174±24.05, 67.42±11.43 and 21.93±3.06 respectively. The mean waist, hip circumference, waist hip ratio with standard deviation was 32.87±3.72, 36.02 ± 3.14 and 0.91±0.08 respectively. The study concluded that BMI and waist hip ratio values are within the normal range among Punjabi boys.
Self Centered and Other Regarding Fairness in the Solidarity Game

This paper revisits and extends the experiment on the solidarity game by Selten and Ockenfels (1998). We replicate the basic design of the solidarity game and extend it in order to test the robustness of the 'fixed total sacrifice' effect and the applied strategy method. Our results only partially confirm the validity of the fixed total sacrifice effect. In a treatment with constant group-endowment rather than constant winner-endowment the predominance of the 'fixed total sacrifice' behavior is replaced by 'fixed relative gift' behavior. We additionally introduce a measure of personality characteristics and compare its specific components with pro-social gift behavior in our experiments. We don't find correlations between actual gift behavior and measures of empathy-driven pro-social behavior used in social science.
Formula for Energy Loss in Soft Magnetic Materials and Scaling

Basing on scale invariance of considered system an improvement of the Bertotti formula for energy loss in soft magnetic materials has been achieved. Assumptions of the Bertotti theory were discussed and criticized. As an alternative to this theory a new approach basing on the scale invariance of complex systems has been presented. The generalized description of energy loss has been recently postulated by us in the form of the homogeneous function in a general sense which leads to a series expansion for the energy loss. On the basis of measurement data it has been proved that only two flrst terms of the series are relevant. New measurements of the energy loss in soft magnetic materials have been performed which conflrms the scaling theory. The obtained formula enables very simple description of the energy loss in soft magnetic materials, taking into considerations wide ranges of frequency and magnetic induction. The revealed data collapse of energy loss enables comparison of energy losses data taken by difierent methods. This phenomenon also supplies new criterion for correctness of empirical data.
Domain structure and evolution in (PbMg1∕3Nb2∕3O3)0.75(PbTiO3)0.25 single crystal studied by temperature-dependent piezoresponse force microscopy

Ferroelectric domain structure and evolution in (110)-cut relaxor ferroelectric (PbMg1∕3Nb2∕3O3)0.75(PbTiO3)0.25 (PMN-25PT) single crystal have been studied by means of temperature-dependent piezoresponse force microscopy. It revealed that, during heating, the as-grown PMN-25PT single crystal exhibits a transition from a ferroelectric microdomain structure to a paraelectric phase; while after being cooled back to room temperature the microdomain structure is rebuilt. Domains with size of tens of nanometers were also observed embedded in the microdomains. By contrast, the poled sample exhibits transitions from macro- to microdomain structures at 90 °C and from microdomain structure to paraelectric phase at 115 °C. These direct observations are consistent with temperature-dependent relative permittivity measurements. In situ polarization switching of the domains was also demonstrated.
Mathematical analyses of 2010 FIFA world cup

Ranking sports teams based on their scorelines is the focus of interest for many sports fan. In this paper, we give a total ranking for 32 teams from the data (only 63 matches) in 2010 FIFA world cup based on the method introduced by Keener. We also show that we can decide whether a given ranking is based on a criterion which puts importance on win-lose, or on scores by use of a continuous weighted function. Furthermore, we give a subjective measure of closeness of matches in each group stage by using the notion of Shannon entropy. We also give some mention on the total ranking based on the Bradley-Terry model.