Miracle-dz/UniFAR-FTUs huggingface dataset:
Local structures in medium-sized Lennard-Jones clusters: Monte Carlo simulations

The Lennard-Jones clusters composed of approximately 200 atoms were simulated using canonical Monte Carlo method at the reduced temperatures between ${T}^{*}=0.05$ and ${T}^{*}=0.49. $ Local arrangements of atoms within the clusters were identified by means of a specially invented algorithm based on the classification of five types of regular coordination polyhedra corresponding to face-centered cubic (fcc), hexagonal close-packed (hcp), icosahedral (ic), pentagonal direct-packed (pdp), and body-centered cubic (bcc) local structures. Clusters cut off from three types (fcc, hcp, and bcc) of perfect crystals show a structural transition with gradually increasing temperature in the temperature range corresponding to solid clusters. The spectrum of 201 atomic clusters formed at the temperature ${T}^{*}=0.25$ from a starting configuration with random atom positions is characterized by a variety of local structures, with quantitative dominance of hcp and pdp structural units and absence of bcc units. Most of these clusters are polyicosahedral, very often showing a triangular or tetrahedral arrangement of ic units. In some clusters noncrystallographic ic and pdp atom arrangement is absent. In such cases spatial separation of two crystallographic phases can be observed in the form of fcc and hcp domains or as sandwiched parallel fcc and hcp planes.
Maximal Normal Orthogroups in Rings Containing No Infinite Semilattices

ABSTRACT Let R be a ring regarded as a multiplicative semigroup which contains no infinite subsemilattices. We investigate subsemigroups of R which are normal orthogroups, and present a construction from which all such maximal normal orthogroups can be obtained. In particular, we construct all maximal normal orthogroups of matrices over a field under matrix multiplication. Communicated by D. Easdown.
Identification of a Link between Suspected Metabolic Syndrome and Cognitive Impairment within Pharmaceutical Care in Adults over 75 Years of Age

The prevalence of metabolic syndrome (MetS) and cognitive impairment (CI) is increasing with age. MetS reduces overall cognition, and CI predicts an increased risk of drug-related problems. We investigated the impact of suspected MetS (sMetS) on cognition in an aging population receiving pharmaceutical care in a different state of old age (60–74 vs. 75+ years). Presence or absence of sMetS (sMetS+ or sMetS−) was assessed according to criteria modified for the European population. The Montreal Cognitive Assessment (MoCA) score, being ≤24 points, was used to identify CI. We found a lower MoCA score (18.4 ± 6.0) and a higher rate of CI (85%) in the 75+ group when compared to younger old subjects (23.6 ± 4.3; 51%; p < 0.001). In the age group of 75+, a higher occurrence, of MoCA ≤ 24 points, was in sMetS+ (97%) as compared to sMetS− (80% p < 0.05). In the age group of 60–74 years, a MoCA score of ≤24 points was identified in 63% of sMetS+ when compared to 49% of sMetS− (NS). Conclusively, we found a higher prevalence of sMetS, the number of sMetS components and lower cognitive performance in subjects aged 75+. This age, the occurrence of sMetS and lower education can predict CI.
Removal of Antibiotic Resistance Genes from Animal Wastewater by Ecological Treatment Technology Based on Plant Absorption

With the aim of controlling the pollution of antibiotic resistance genes (ARGs) in livestock and poultry wastewater, this paper highlights an ecological treatment technology based on plant absorption and comprehensively discusses the removal effect, driving factors, removal mechanism, and distribution characteristics of ARGs in plant tissues. The review shows that ecological treatment technology based on plant absorption has gradually become an important method of wastewater treatment of livestock and poultry breeding and has a good ARG removal effect. In plant treatment ecosystems, microbial community structure is the main driver of ARGs, while mobile genetic elements, other pollutants, and environmental factors also affect the growth and decline of ARGs. The role of plant uptake and adsorption of matrix particles, which provide attachment sites for microorganisms and contaminants, cannot be ignored. The distribution characteristics of ARGs in different plant tissues were clarified and their transfer mechanism was determined. In conclusion, the main driving factors affecting ARGs in the ecological treatment technology of plant absorption should be grasped, and the removal mechanism of ARGs by root adsorption, rhizosphere microorganisms, and root exudates should be deeply explored, which will be the focus of future research.
Finite-Turn Pushdown Automata

Abstract : A finite-turn pda is a pda in which the length of the pushdown tape alternatively increases and decreases at most a fixed bounded number of times during any sweep of the automation. This paper is a study of these finite-turn pda and the context free languages they recognize. These context free languages are characterized both in terms of grammars (two ways) and in terms of generation from finite sets by three operations. A decision procedure is given for determining if an arbitrary pda is a finite-turn pda. There is no decision procedure for determining if an arbitrary context free language is accepted by some finite-turn pda. (Author)
Effect Sizes in Cluster-Randomized Designs

Multisite research designs involving cluster randomization are becoming increasingly important in educational and behavioral research. Researchers would like to compute effect size indexes based on the standardized mean difference to compare the results of cluster-randomized studies (and corresponding quasi-experiments) with other studies and to combine information across studies in meta-analyses. This article addresses the problem of defining effect sizes in multilevel designs and computing estimates of those effect sizes and their standard errors from information that is likely to be reported in journal articles. Three effect sizes are defined corresponding to different standardizations. Estimators of each effect size index are also presented along with their sampling distributions (including standard errors).
Error Components in Grouped Data: Why It&Apos;S Never Worth Weighting

When estimating linear models using grouped data researchers typically weight each observation by the group size. Under the assumption that the regression errors for the underlying micro data have expected values of zero, are independent and are homoscedastic, this procedure produces best linear unbiased estimates. This note argues that for most applications in economics the assumption that errors are independent within groups is inappropriate. Since grouping is commonly done on the basis of common observed characteristics, it is inappropriate to assume that there are no unobserved characteristics in common. If group members have unobserved characteristics in common, individual errors will be correlated. If errors are correlated within groups and group sizes are large then heteroscedasticity may be relatively unimportant and weighting by group size may exacerbate heteroscedasticity rather than eliminate it. Two examples presented here suggest that this may be the effect of weighting in most non-experimental applications. In many situations unweighted ordinary least squares may be a preferred alternative. For those cases where it is not, a maximum likelihood and an asymptotically efficient two-step generalized least squares estimator are proposed. An extension of the two-step estimator for grouped binary data is also presented.
Remarks on some modular identities

Introduction. We shall consider a certain class of functions invariant with respect to the substitutions of the congruence subgroup Fo(p) of the modular group r. By specializing these functions, we shall obtain classical identities in the analytical theory of numbers: E.g., the Ramanujan identities for partitions modulo 5, 7 and Mordell's identity for r(n). We shall also derive some new identities. These functions bear some resemblance to those considered by Rademacher in his paper [1 ](1) to prove the Ramanujan identities, certain modular equations, etc. The type of function considered, however, seems first to have been studied by Watson in his paper [2]. 1. Definitions, notations. (1.1) r is the full modular group; i.e., the group of 2 X2 matrices of determinant 1 with rational integral elements. (1.2) Fo(m) is the subgroup of r characterized as follows: The element
A novel method to detect nonexponential transients in deep level transient spectroscopy

In conventional Deep Level Transient Spectroscopy (DLTS) measurements, the analysis of the results is based upon the assumption of an exponential current or capacitance transient. We present experimental and computational results on a novel experimental method for determining when the assumption of exponentiality is not satisfied by the sample under study. The measurement may be performed without any changes in the conventional double‐boxcar DLTS system.
Prognostic factors and treatment outcomes of spinal osteosarcoma: Surveillance, epidemiology, and end results database analysis

Objective Spinal osteosarcoma is a rare osseous neoplasm. The aim of this study is to make a comprehensive analysis of the demographic features, clinicopathologic characteristics and factors affecting prognosis of spinal osteosarcoma using the Surveillance, Epidemiology and End Results (SEER) database. Methods SEER data were reviewed to identify patients diagnosed with spinal osteosarcoma between 1975 and 2016 and determine their overall survival (OS) and disease-specifc survival (DSS). Univariate and multivariate analyses were performed using the Cox-regression proportional hazards model and Kaplan-Meier method. Results A total of 668 patients (53.1% males) with spinal osteosarcoma were identified. The mean age at diagnosis was 45.2 years, including 67.5% patients younger than 60 years. The median OS of these patients was 15 months, and the 5-year OS was 16.8%. Multivariate analysis showed that age ≥60 year (HR=2.271, p = 0.008), high grade (HR=1.323, p = 0.008), regional stage (HR=1.658, p = 0.017), metastasis stage (HR=3.045, p < 0.001) and no-surgery treatment (HR=1.761, p < 0.001) were adversely associated with OS; gender (HR=0.657, p = 0.044), tumor grade (HR=1.616, p = 0.006), tumor stage (HR=3.329, p = 0.011; HR=7.983, p < 0.001) and radiotherapy (HR=0.606, p = 0.031) were independent prognostic factors affecting DSS. Conclusion Based on SEER data analysis, male, high tumor grade, regional stage, metastasis stage and radiotherapy are independent predictors of poor survival of patients with spinal osteosarcoma. The clinical treatment of spinal osteosarcoma still faces serious challenges. Future research should focus on the clinical impact and survival outcomes of the emerging targeted and immune therapies for the sake of improving the survival stalemate of spinal osteosarcoma.
On some comparative frozen sentences in Italian

This article describes the italian set of expressions that share the structure N0 essere Agg come C1 (N0 be Adj as C1). These forms are represented in a matrix table named PECO. The study of such idiomatic sentences is regarded as an interesting starting point for the analysis of free comparative sentences.
Spatiotemporal distributions of air-sea CO2 flux modulated by windseas in the Southern Indian Ocean

The Southern Indian Ocean is a major reservoir for rapid carbon exchange with the atmosphere, plays a key role in the world’s carbon cycle. To understand the importance of anthropogenic CO2 uptake in the Southern Indian Ocean, a variety of methods have been used to quantify the magnitude of the CO2 flux between air and sea. The basic approach is based on the bulk formula—the air-sea CO2 flux is commonly calculated by the difference in the CO2 partial pressure between the ocean and the atmosphere, the gas transfer velocity, the surface wind speed, and the CO2 solubility in seawater. However, relying solely on wind speed to measure the gas transfer velocity at the sea surface increases the uncertainty of CO2 flux estimation. Recent studies have shown that the generation and breaking of ocean waves also significantly affect the gas transfer process at the air-sea interface. In this study, we highlight the impact of windseas on the process of air-sea CO2 exchange and address its important role in CO2 uptake in the Southern Indian Ocean. We run the WAVEWATCH III model to simulate surface waves in this region over the period from January 1st 2002 to December 31st 2021. Then, we use the spectral partitioning method to isolate windseas and swells from total wave fields. Finally, we calculate the CO2 flux based on the new semiempirical equation for gas transfer velocity considering only windseas. We found that after considering windseas’ impact, the seasonal mean zonal flux (mmol/m2·d) increased approximately 10%-20% compared with that calculated solely on wind speed in all seasons. Evolution of air-sea net carbon flux (PgC) increased around 5.87%-32.12% in the latest 5 years with the most significant seasonal improvement appeared in summer. Long-term trend analysis also indicated that the CO2 absorption capacity of the whole Southern Indian Ocean gradually increased during the past 20 years. These findings extend the understanding of the roles of the Southern Indian Ocean in the global carbon cycle and are useful for making management policies associated with marine environmental protection and global climatic change mitigation.
The QNET Method for Two-Moment Analysis of Closed Manufacturing Systems

Consider a job-shop or batch-ow manufacturing system in which new jobs are introduced only as old ones depart, either because of physical constraints or as a matter of management policy. Assuming that there is never a shortage of new work to be done, the number of active jobs remains constant over time, and the system can be modeled as a kind of closed queueing network. With manufacturing applications in mind, we formulate a general closed network model and develop a mathematical method to estimate its steady-state performance characteristics. A restrictive feature of our network model is that all the job classes which are served at any given node or station share a common service time distribution. Our analytical method, which is based on an algorithm for computing the stationary distribution of an approximating Brownian model, is motivated by heavy traac theory; it is precisely analogous to a method developed earlier for analysis of open queueing networks. The required inputs include not only rst-moment information, such as average product mix and average processing rates, but also second-moment data that serve as quantitative measures of variability in the processing environment. We present numerical examples which show that system performance is very much aaected by changes in second-moment data. In these few numerical examples, our estimates of average throughput rates and average throughput times for diierent product families are generally accurate when compared against simulation results.
Molten Salt-Assisted Catalytic Preparation of MoS2/α-MoO3/Graphene as High-Performance Anode of Li-Ion Battery

We report on the facile and scalable catalytic conversion of natural graphite and MoS2 minerals into α-MoO3 nanoribbons incorporated into hexagonal MoS2 and graphene nanosheets, and evaluate the structural, morphological and electrochemical performances of the hybrid nanostructured material obtained. Mechanochemical treatment of raw materials, followed by catalytic molten salt treatment leads to the formation of nanostructures with promising electrochemical performances. We examined the effect of processing temperature on the electrochemical performance of the products. At 1100 °C, an excellent Li-ion storage capacity of 773.5 mAh g−1 is obtained after 180 cycles, considerably greater than that of MoS2 (176.8 mAh g−1). The enhanced capacity and the rate performance of this electrode are attributed to the well-integrated components, characterized by the formation of interfacial molybdenum oxycarbide layer during the synthesis process, contributing to the reduced electrical/electrochemical resistance of the sample. This unique morphology promotes the charge and ions transfer through the reduction of the Li-ion diffusion coefficient (1.2 × 10−18 cm2 s−1), enhancing the pseudocapacitive performance of the electrode; 59.3% at the scan rate of 0.5 mV s−1. This article provides a green and low-cost route to convert highly available natural graphite and MoS2 minerals into nanostructured hybrid materials with promising Li-ion storage performance.
Synthesis by rule of consonant‐vowel syllables

A FORTRAN synthesis‐by‐rule program has been developed for controlling a cascade/parallel formant synthesizer. The rules have been evaluated by generating consonant‐vowel‐/t/syllables involving all phonologically legal combinations of the consonants /PP, BB, TT, DD, KK, GG, CH, JH, FF, VV, TH, DH, SS, ZZ, SH, WW, YY, RR, LL, HH, MM, NN/ with the vowels /IY, IH, EY, EH, AE, AA, AH, AO, OW, UH, UW, ER, AY, OY, AW, YU/. Five phonetically sophisticated listeners transcribed a randomized list of 336 syllables. There was no prior familiarization with the synthesis. Ninety‐five percent of the consonants and 98% of the vowels were correctly transcribed. Synthesis rules are based on a detailed acoustic analysis of the same syllables spoken by three male and three female talkers. The analysis indicates that some consonants require two or three allopones for accurate synthesis (one before the front vowels /YU, IY, IH, EY, EH, AE/, one before the back unrounded vowels /AA, AY, AW, AH/, and one before the rounded vowe.
Spatial stability of the slab jet. II: numerical simulations

Les resultats des simulations numeriques d'un jet supersonique a geometrie plane effectuees afin d'explorer la connexion entre le comportement non lineaire du jet et les predictions tirees de la theorie linearisee (Hardee P. E. et Norman M. L., 1988, Ap. J., 334) sont presentes
A packing problem you can almost solve by sitting on your suitcase

In this paper, we present a novel approach for approximating solutions to the bin-packing and machine scheduling problems. In obtaining our results, we exploit a certain dual relationship that exists between these two problems.We introduce the notion of a dual approximation algorithm, where for the bin-packing problem, the aim is to find approximate packings where at most the optimal number of bins are used, but the bins are allowed to be filled beyond their capacity. For this approach, the objective is to minimize the tardiness of the machine that finishes last. For bin-packing instances where the size of each piece is at least $( 1 /3 - \varepsilon )$ times the capacity of the bin, we give an approximation algorithm $A_\varepsilon $ that is guaranteed to produce a solution where no bin contains more than $( 1 + 3\varepsilon /2 )$ times the bin capacity. Thus we have a family of dual approximation algorithms, dependent on the problem instance, where the “closer” the instance is to belonging to a class th.
From a structure to a tree

Abstract A graph is decomposed into a series of overlapping clusters. The tightness of a cluster is measured by the trace of the third power of the interaction matrix of the graph. The clusters are linked to form a new graph, which is decomposed into a tree according to the closeness of the clusters: the concept of the closeness is analogus to the general gravitational law. The initial graph is not restricted to a series of binary relationships: both nodes and links may be assigned weights, and the links may be directed and asymmetric.
Characterization of the Regular Polygonal Waveguide for the RF EM Shielding Application

This article presents a theoretical characterization of the regular polygonal waveguide (RPW) having n-sides. Based on the symmetrical circular symmetry of the RPW and the circular waveguide (CW), the analogy between the electromagnetic (EM) behaviors of these to waveguide (WG) is established. After a brief recall about the state of the art concerning the WG engineering and its application, we introduce a basic theory of the WG presenting a regular polygonal cross-section with n-sides. By considering, the fundamental mode TE11, we develop the main mathematical formulas summarizing the difierent characteristics (cut-ofi frequency, fc, propagating constant, k11 and S-parameters) appropriated to any RPW in function of its physical parameters (number of sides, n, diameter, D and height, h). In order to verify the validation of the developed analytical expressions, comparisons between the HFSS simulated and theoretical dispersion diagrams of regular pentagonal (n = 5), hexagonal (n = 6), heptagonal (n = 5) metallic (copper) WG with for example, 50mm outer diameter are presented. So, it was demonstrated that very good correlation between the theoretical predictions (fc(n), k11(n)) is found with a relative error less than 1%. As application of the present study in terms of EM wave shielding, simulation of metallic wall with hexagonal aperture is also performed. Finally, discussion about the future work is drawn in conclusion.
Dual analysis for helping developers to find collaborators based on co‐changed files: An empirical study

Software developers must collaborate at all stages of the software life‐cycle to create successful complex software systems. To enable this collaboration, social coding platforms, for example, GitHub, include an increasing number of tools to support collaboration. However, for large projects with hundreds of dynamic developers, such as several successful open–source projects, it can be complex to find developers with the same interest and familiarity and thus, gain suitable collaborations and new insights. In this context, resources and efforts may be wasted, discouraging many developers from contributing. Moreover, it can be costly to manage many contributions, which is another challenge for the maintainer who wants to take advantage of this small, timid, but valuable contribution made by a volunteer developer in a short time. In this context, this paper presents an empirical study aiming to evaluate two strategies to recommend collaborators based on co‐changed files. Inspired in the TF–IDF (Term Frequency–Inverse Document Frequency) weighting scheme established in the Information Retrieval field, these strategies first estimate the importance of relevant files modified by developers and use these estimates to represent each developer “profile”. As a second step, they estimate the similarity between developers using the Cosine metric, providing top‐ranked developers according to this measure as recommendations. We evaluated these strategies based on an extensive survey with 102 real–world developers. We observed that developers have interest and familiarity with the co‐changed files for all strategies evaluated. These considerations are of relevance because many opportunities for contributions to the project are linked to coding. Thus, theses results may indicate one less barrier for improving collaboration among developers. Overall, the strategies present an acceptance rate of up to 81%, contributing to the discovery of further collaborators.
Data-path selection mechanism based on physical layer impairments for WDM network

In optical networks, Physical Layer Impairments (PLIs) incurred by non-ideal optical transmission media accumulate along the optical path. The overall effect of PLIs determines the feasibility of the light-paths. It is important to understand the process that provide PLI information to the central manager and use this information efficiently to compute feasible routes and wavelengths. Based on the PLI impairments like fibre attenuation, Chromatic Dispersion (CD) and Polarisation Mode Dispersion (PMD), which reflects the Quality of service factors (Q-Factor); a centralised PLI-based routing algorithm is proposed for the selection of data-paths.