Miracle-dz/UniFAR-FTUs huggingface dataset:
Transition state method and Wannier functions

We propose a computational scheme for materials where standard local density approximation (LDA) fails to produce a satisfactory description of excitation energies. The method uses Slater's ``transition state'' approximation and Wannier functions basis set. We define a correction to LDA functional in such a way that its variation produces one-electron energies for Wannier functions equal to the energies obtained in transition state constrained LDA calculations. In the result eigenvalues of the proposed functional could be interpreted as excitation energies of the system under consideration. The method was applied to MgO, Si, NiO, and $\mathrm{Ba}\mathrm{Bi}{\mathrm{O}}_{3}$ and gave an improved agreement with experimental data of energy gap values comparing with LDA.
Limits on Ionized Gas in M81's Globular Clusters

We use NSF's Karl G. Jansky Very Large Array to constrain the mass of ionized gas in 206 globular star clusters (GCs) in M81, a nearby spiral galaxy. We detect none of the GCs and impose a typical gas-mass upper limit of 550 solar masses (3-sigma). These findings bear on GC evolution in M81.
Application of Optical and Rheological Techniques in Quality and Storage Assessment of the Newly Developed Colloidal-Suspension Products: Yogurt-Type Bean-Based Beverages

The objectives of this study were to compare the properties of the yogurt-type bean-based beverages B and BG produced from the nongerminated and germinated beans, respectively, by high-pressure homogenization (HPH) and fermentation with three starter cultures. Optical techniques were used to evaluate the particle size distribution (PSD), color parameters, and instability during storage, while rheological tests were used to evaluate the shear viscosity, flow behavior, and viscoelastic properties. The BG compared to B, irrespective of the starter culture used, showed a higher mean diameter and Span of PSD (d4,3 ≈ 76.8–84.2, Span ≈ 2.24–2.35 for BG vs. d4,3 ≈ 38.2–47.0, Span ≈ 1.90–2.00 for B). The BG vs. B showed lower viscosity (0.47 Pa·s for BG vs. 0.81 Pa·s for B at shear rate 75 s−1) and slightly lower but satisfactory stability (after 21 days at 6 °C, the Turbiscan Stability Index TSI ≈ 1.3–2.0 for BG vs. TSI ≈ 0.6–0.9 for B). Both B and BG were characterized by light-yellow color and showed the characteristics of a viscoelastic fluid. The HPH and germination mainly affected the properties of the tested plant tissue, which has a direct impact on the properties of the final products.
Destructive quantum interference in electron transport: A reconciliation of the molecular orbital and the atomic orbital perspective

Destructive quantum interference (DQI) in single molecule electronics is a purely quantum mechanical effect and is entirely defined by the inherent properties of the molecule in the junction such as its structure and symmetry. This definition of DQI by molecular properties alone suggests its relation to other more general concepts in chemistry as well as the possibility of deriving simple models for its understanding and molecular device design. Recently, two such models have gained a wide spread attention, where one was a graphical scheme based on visually inspecting the connectivity of the carbon sites in conjugated π systems in an atomic orbital (AO) basis and the other one puts the emphasis on the amplitudes and signs of the frontier molecular orbitals (MOs). There have been discussions on the range of applicability for these schemes, but ultimately conclusions from topological molecular Hamiltonians should not depend on whether they are drawn from an AO or a MO representation, as long as all the orbi.
Nucleosynthesis in neutron-rich ejecta from quark-novae

We explore heavy-element nucleosynthesis by rapid neutron capture (r-process) in the decompressing ejecta from the surface of a neutron star. The decompression is triggered by a violent phase transition to strange quark matter (quark-nova scenario). The presence of neutron-rich large Z nuclei (40, 95) < (Z,A) < (70, 177), the large neutron-to-seed ratio, and the low electron fraction Ye ∼ 0.03 in the decompressing ejecta present favorable conditions for the r-process. We perform network calculations that are adapted to the quark-nova conditions, and which mimic usual (n − γ) equilibrium r-process calculations during the initially cold decompression phase. They match to dynamical r-process calculations at densities below neutron drip (4 × 10 11 gc m −3 ). We present results for the final element abundance distribution with and without heating from nuclear reactions, and compare to the solar abundance pattern of r-process elements. We highlight the distinguishing features of quark-novae by contrasting it with conventional nucleosynthetic sites such as type II supernovae and neutron star mergers, especially in the context of heavy-element compositions of extremely metal-deficient stars.
Analysis of the Common Emitter Amplifier Taking into Account Transistor Non-Linearity

The operation of a typical common emitter amplifier, including negative feedback, is studied taking into account the non-linearity characteristic of real-world transistors. This has been accomplished by employing a recently proposed Early modeling approach, which allowed the analytical equations to be obtained describing the current and voltage behavior in the adopted common emitter circuit. Average and dispersion (coefficient of variation) of the current and voltage gains can then be calculated and used to characterize the common emitter amplification while reflecting the transistor non-linearity. Several interesting results were obtained, including the fact that the negative feedback provided by the emitter resistance is not capable of completely eliminating effects of parameters differences exhibited by transistors. Importantly, transistors with larger Early voltage $V_a$ magnitudes tended to provide significantly enhanced linearity even when substantial negative feedback is used. These results motivates customized design, implementation and application approaches taking into account the parameters of the available devices.
POLARON PROBLEM BY DIAGRAMMATIC QUANTUM MONTE CARLO

We present a numerical solution of the polaron problem by a novel Monte Carlo method. Starting from a conventional diagrammatic expansion for the polaron Green function $G(\mathbf{k},\ensuremath{\tau})$, we construct a process which generates continuous random variables $\mathbf{k}$ and $\ensuremath{\tau}$, with a distribution function coinciding exactly with $G(\mathbf{k},\ensuremath{\tau})$. The polaron spectrum is extracted from the asymptotic behavior of the Green function. We compare our results for the polaron energy with the variational treatment of Feynman, and present an accurate dispersion curve which features an end point at finite momentum.
Assessment of the Catalytic Performances of Nanocomposites Materials Based on 13X Zeolite, Calcium Oxide and Metal Zinc Particles in the Residual Biomass Pyrolysis Process

Nanocomposites based on 13X zeolite (13XZ), calcium oxide (CaO) and metal zinc particles (Zn) were prepared. The resulting nanocomposites were characterized by different techniques. Then, a comparative study on catalytic and noncatalytic pyrolysis of biomass waste was performed to establish the influence of nanocomposites used as catalysts on the yields and characteristics of liquid and solid products. Residual rapeseed biomass (RRB) was employed for pyrolysis experiments and a fixed bed reactor was used. By introducing CaO and metal zinc particles into 13X zeolite mass, the surface area (SBET) of nanocomposites was reduced, and this decrease is due to the introduction of nano-calcium carbonate and nano-zinc particles, which occupied an important space into zeolite structure. By adding CaO to 13XZ, the pore structure was changed and there was a decrease in the micropores volume. The analysis of the pore area distribution showed a hierarchical pore structure for nanocomposites. The elements composition showed that the main elements contained in nanocomposites are Si, Al, Ca and Zn, confirming the preservation of the zeolite structure. Using these nanocomposites as catalysts in pyrolysis process, the residual biomass could be valorized, producing bio-oil and biochar for the management and sustainability of this low-value waste.
The Discovery of Quasi-soft and Supersoft Sources in External Galaxies

We apply a uniform procedure to select very soft sources from point sources observed by Chandra in four galaxies. This sample includes one elliptical galaxy (NGC 4967), two face-on spiral galaxies (M101 and M83), and an interacting galaxy (M51). We report on some intriguing results, including the following: 1. We have found very soft X-ray sources (VSSs) in every galaxy. Some of these fit the criteria for canonical supersoft sources (SSSs), while others are somewhat harder. These latter have characteristic values of kT ≲ 300 eV; we refer to them as quasi-soft sources (QSSs). We found a combined total of 149 VSSs in the four galaxies we considered; 77 were SSSs and 72 were QSSs. 2. The data are consistent with the existence of a large VSS population, most of whose members we cannot observe because of the effects of distance and obscuration. The total VSS population of sources with L > 1037 ergs s-1 in each galaxy could be on the order of 1000. 3. Whereas in M31 only ∼10% of all X-ray sources detected by Chandra are VSSs, more than 35% of all detectable X-ray sources in the face-on galaxy M101 fit the phenomenological definition of VSSs. This difference may be due to differences in NH between typical lines of sight to sources in each galaxy. 4. SSSs can be super-Eddington for Chandrasekhar-mass objects. 5. We find evidence for SSSs and QSSs with luminosities of 1036 ergs s-1 < L < 1037 ergs s-1. These sources have luminosities lower than those of the ∼30 soft sources used to establish the class of SSSs. 6. In the spiral galaxies M101, M83, and M51, a large fraction of the SSSs and QSSs appear to be associated with the spiral arms. This may indicate that some SSSs are young systems, possibly younger than 108 yr. 7. In addition to finding hot white dwarfs and soft X-ray binaries, our method should also be efficient at selecting supernova remnants (SNRs). A small fraction of the VSSs in the spiral arms of M101 appear to be associated with SNRs
Inverse dispersion method for calculation of complex photonic band diagram andPTsymmetry

We suggest an inverse dispersion method for calculating photonic band diagram for materials with arbitrary frequency-dependent dielectric functions. The method is able to calculate the complex wave vector for a given frequency by solving the eigenvalue problem with a non-Hermitian operator. The analogy with $\cal{PT}$-symmetric Hamiltonians reveals that the operator corresponds to the momentum as a physical quantity and the singularities at the band edges are related to the branch points and responses for the features on the band edges. The method is realized using plane wave expansion technique for two-dimensional periodical structure in the case of TE- and TM-polarization. We illustrate the applicability of the method by calculation of the photonic band diagrams of an infinite two-dimension square lattice composed of dielectric cylinders using the measured frequency dependent dielectric functions of different materials (amorphous hydrogenated carbon, silicon, and chalcogenide glass). We show that the method allows to distinguish unambiguously between Bragg and Mie gaps in the spectra.
Multispin Ising spin glasses with ferromagnetic interactions

We consider the thermodynamics of an infinite-range Ising p-spin glass model with an additional r-spin ferromagnetic interaction. For r = 2 there is a continuous transition to a ferromagnetic phase, while for r>2 the transition is first order. We find both glassy and non-glassy ferromagnetic phases, with replica symmetry breaking of both the one step and full varieties. We obtain new results for the case where r = p>2, demonstrating the existence of a non-glassy ferromagnetic phase, of significance to error-correcting codes.
The Validity of Surrogate Endpoints in Sub Groups of Metastatic Colorectal Cancer Patients Defined by Treatment Class and KRAS Status

Simple Summary When evaluating new cancer therapies in clinical trials, it may take a long time to estimate their effectiveness on overall survival, an outcome typically of main interest to regulatory decision-makers. To expedite access to new therapies for patients, regulatory agencies often make their decisions based on treatment effectiveness measured on surrogate outcomes; for example looking at the impact of treatment on delaying cancer recurrence, which can be measured earlier. For such decisions to be robust, a surrogate endpoint needs to be a valid predictor of overall survival. The validation can be complex and previous research in advanced colorectal cancer has suggested that the validity of a surrogate endpoint may depend on treatment class. We have investigated this and our results indicated that the validity of surrogate endpoints is stronger within some treatment classes compared to when ignoring the treatment class. Surrogate’s validity needs careful consideration to ensure appropriate regulatory decisions. Abstract Background and Aim: Findings from the literature suggest that the validity of surrogate endpoints in metastatic colorectal cancer (mCRC) may depend on a treatments’ mechanism of action. We explore this and the impact of Kirsten rat sarcoma (KRAS) status on surrogacy patterns in mCRC. Methods: A systematic review was undertaken to identify randomized controlled trials (RCTs) for pharmacological therapies in mCRC. Bayesian meta-analytic methods for surrogate endpoint evaluation were used to evaluate surrogate relationships across all RCTs, by KRAS status and treatment class. Surrogate endpoints explored were progression free survival (PFS) as a surrogate endpoint for overall survival (OS), and tumour response (TR) as a surrogate for PFS and OS. Results: 66 RCTs were identified from the systematic review. PFS showed a strong surrogate relationship with OS across all data and in subgroups by KRAS status. The relationship appeared stronger within individual treatment classes compared to the overall analysis. The TR-PFS and TR-OS relationships were found to be weak overall but stronger within the Epidermal Growth Factor Receptor + Chemotherapy (EGFR + Chemo) treatment class; both overall and in the wild type (WT) patients for TR-PFS, but not in patients with the mutant (MT) KRAS status where data were limited. Conclusions: PFS appeared to be a good surrogate endpoint for OS. TR showed a moderate surrogate relationship with PFS and OS for the EGFR + Chemo treatment class. There was some evidence of impact of the mechanism of action on the strength of the surrogacy patterns in mCRC, but little evidence of the impact of KRAS status on the validity of surrogate endpoints.
Abundance Patterns in Planetary Nebulae

We previously determined abundances of He, C, N, O, and Ne for a sample of planetary nebulae (PNe) representing a broad range in progenitor mass and metallicity, and we now compare them with theoretical predictions of PNe abundances from a grid of intermediate-mass star models. We find very good agreement between observations and theory, lending strong support to our current understanding of nucleosynthesis in stars below 8Mo in birth mass. In particular, C and N abundance patterns are consistent with the occurrence of hot-bottom burning in stars above roughly 3.5Mo, a process that converts much of 12C into 14N during the AGB phase. This agreement also supports the validity of published stellar yields of C and N in the study of the abundance evolution of these elements.
Automatic 3D surface defects detection of fiber-reinforced epoxy resin composites

Fiber-reinforced epoxy resin composites (FRERCs) are widely used in the aerospace industry. The surface defects incurred during the manufacturing process of FRERCs have detrimental effects on the aircraft during high-speed flights. To accurately and efficiently detect FRERCs’ surface defects. A novel lightweight and two-stage 3D defect detection network is proposed in this paper, i.e., NGSP-Point-Net. The first stage of the network is 3D Mask proposers; the proposers generate multiple candidate 3D surface defect masks, allowing the second stage of the network to focus on potential defect regions. The second stage of the network is the 3D merger; it classifies the candidate surface 3D defect masks to determine whether the mask is a defect or not and keeps only the target masks to obtain the final detection results. In addition, a distributed semi-real-time detection system based on the NGSP-Point-Net is constructed in this paper to simulate the online and high-speed detection of FRERCs’ surface defects in the manufacturing process. Several NGSP-Point-Net-based experiments were conducted. The metrics of the precision, accuracy, Matthews correlation coefficient (MCC), and the mean intersection of union (mIoU) reach 0.9914, 0.9896, 0.9792, and 0.9243, respectively; and the inference speed reaches about 150,000 points/s with a single Nvidia RTX 3080. Experiments demonstrate that the NGSP-Point-Net provides a new possibility to accurately and efficiently detect surface defects of FRERCs.
El Aprendizaje interactivo de Lenguas a través del Enfoque Transcultural, AILET

El articulo presenta un avance de una tesis de investigación que se está desarrollando en el Programa de Doctorado de Formación de Formadores de la Escuela Normal Superior de Michoacán. Este avance corresponde a una propuesta de estrategia transdisciplinaria dedesarrollo profesional transcultural. La propuesta adopta un formato de curso en línea/virtual de formación continúa para formadoresde lenguas en servicio o pre-servicio. El curso que se llevó a cabo del 1 de noviembre al 4 de diciembre de 2021 tiene una fundamentación teórica que se presenta en este artículo como parte fundamental del diseño de investigación previo al desarrollo del trabajo empírico.
Analysis of the Attune tibial tray backside

Objectives The Attune total knee arthroplasty (TKA) has been used in over 600 000 patients worldwide. Registry data show good clinical outcome; however, concerns over the cement-tibial interface have been reported. We used retrieval analysis to give further insight into this controversial topic. Methods We examined 12 titanium (Ti) PFC Sigma implants, eight cobalt-chromium (CoCr) PFC Sigma implants, eight cobalt-chromium PFC Sigma rotating platform (RP) implants, and 11 Attune implants. We used a peer-reviewed digital imaging method to quantify the amount of cement attached to the backside of each tibial tray. We then measured: 1) the size of tibial tray thickness, tray projections, peripheral lips, and undercuts; and 2) surface roughness (Ra) on the backside and keel of the trays. Statistical analyses were performed to investigate differences between the two designs. Results There was no evidence of cement attachment on any of the 11 Attune trays examined. There were significant differences between Ti and CoCr PFC Sigma implants and Attune designs (p < 0.05); however, there was no significant difference between CoCr PFC Sigma RP and Attune designs (p > 0.05). There were significant differences in the design features between the investigated designs (p < 0.05). Conclusion The majority of the earliest PFC Sigma designs showed evidence of cement, while all of the retrieved Attune trays and the majority of the RP PFC trays in this study had no cement attached. This may be attributable to the design differences of these implants, in particular in relation to the cement pockets. Our results may help explain a controversial aspect related to cement attachment in a recently introduced TKA design. Cite this article: A. Cerquiglini, J. Henckel, H. Hothi, P. Allen, J. Lewis, A. Eskelinen, J. Skinner, M. T. Hirschmann, A. J. Hart. Analysis of the Attune tibial tray backside: A comparative retrieval study. Bone Joint Res 2019;8:136–145. DOI: 10.1302/2046-3758.83. BJJ-2018-0102.R2.
A common-envelope wind model for Type Ia supernovae – I. Binary evolution and birth rate

The single-degenerate (SD) model is one of the principal models for the progenitors of type Ia supernovae (SNe Ia), but some of the predictions in the most widely studied version of the SD model, i.e. the optically thick wind (OTW) model, have not been confirmed by observations. Here, we propose a new version of the SD model in which a common envelope (CE) is assumed to form when the mass-transfer rate between a carbon-oxygen white dwarf (CO WD) and its companion exceeds a critical accretion rate. The WD may gradually increase its mass at the base of the CE. Due to the large nuclear luminosity for stable hydrogen burning, the CE may expand to giant dimensions and will lose mass from the surface of the CE by a CE wind (CEW). Because of the low CE density, the binary system will avoid a fast spiral-in phase and finally re-emerge from the CE phase. Our model may share the virtues of the OTW model but avoid some of its shortcomings. We performed binary stellar evolution calculations for more than 1100 close WD + MS binaries. Compared with the OTW model, the parameter space for SNe Ia from our CEW model extends to more massive companions and less massive WDs. Correspondingly, the Galactic birth rate from the CEW model is higher than that from the OTW model by $\sim$30\%. Finally, we discuss the uncertainties of the CEW model and the differences between our CEW model and the OTW model.
Relationships of Shading-Induced Reductions in Yield and Morphological Traits with Mineral Nutrition of Apple Trees

Protective nets are commonly used in orchards to prevent hail damage and sunburns. However, these nets partially prevent sunlight exposure of the trees. Sunlight directly influences plant physiology. In present study, the effects of reduced sunlight on mineral nutrition of trees were investigated. Experimental orchard had protective nets with different shading ratios (0, 32, 42 and 56%) for 7 years. In 8, 9 and 10th year of the orchard, to reveal relationships of protective nets and mineral nutrition, apple trees were sampled from part of leaves, bud, and flower and subjected to mineral analyses. Leaf nutrients were all influenced by light intensity and increasing N, K, Fe, Cu, Mn and B levels were observed with increasing shading ratios. In fruit buds, shading treatments all had more Ca, Fe and Cu concentrations. In flower samples, only P and Mg were found to be significant and the lowest values were obtained from the greatest shading ratio. Nutrient ratios were assessed for each sample group and only the leaf nutrient ratios were found to be significant. It was observed when the common ratios (N:K and K:Mg) were assessed that the greatest N:K ratio was obtained from the control treatment and the other treatments were placed into the same group; the lowest K:Mg ratio was obtained from the control treatment and the other treatments were placed into the same group. It couldn’t be detected any relationships between decreasing yield, morphological traits and reduced sunlight with nutrient contents based on concentrations under experiment conditions.
Metal-insulator transition in PF6 doped polypyrrole: interchain charge transfer versus electronic correlation

We performed dielectric spectroscopy on polypyrrole near the metal-insulator transition (MIT) down to 2 K. We evaluate the dependence of the plasma frequency and the scattering time (t) on the distance to the MIT, characterized by the Fermi-level relative to the band-edge of extended states, E_F-E_c. Especially the strong decrease of t with increasing E_F-E_c is in conflict with the usually applied models for the MIT. Although morphology and disorder are important, the MIT is Mott-Hubbard-like being dominated by the competition of interchain charge transfer and electronic correlation.