Miracle-dz/UniFAR-FTUs huggingface dataset:
Choosing a Model Selection Strategy

An important problem in statistical practice is the selection of a suitable statistical model. Several model selection strategies are available in the literature, having different asymptotic and small sample properties, depending on the characteristics of the data generating mechanism. These characteristics are difficult to check in practice and there is a need for a data-driven adaptive procedure to identify an appropriate model selection strategy for the data at hand. We call such an identification a model metaselection, and we base it on the analysis of recursive prediction residuals obtained from each strategy with increasing sample sizes. Graphical tools are proposed in order to study these recursive residuals. Their use is illustrated on real and simulated data sets. When necessary, an automatic metaselection can be performed by simply accumulating predictive losses. Asymptotic and small sample results are presented.
Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements

The construction of accurate pseudopotentials with good convergence properties for the first-row and transition elements is discussed. We show that by combining an improved description of the pseudowavefunction inside the cut-off radius with the concept of ultrasoft pseudopotentials introduced by Vanderbilt optimal compromise between transferability and plane-wave convergence can be achieved. With the new pseudopotentials, basis sets with no more than 75-100 plane waves per atom are sufficient to reproduce the results obtained with the most accurate norm-conserving pseudopotentials.
Effects of interface engineering for HfO2 gate dielectric stack on 4H-SiC

HfO2 films were grown on SiO2∕4H-SiC and SiON∕4H-SiC layers by deposition of metallic Hf in an electron beam evaporation system followed by thermal oxidation. X-ray photoelectron spectroscopy confirmed the formation of stoichiometric HfO2 films. There is no evidence of formation of hafnium silicide or carbon pileup at the surface as well as at the interfacial layer. Electrical measurements show the presence of fewer trapped charges in the HfO2∕SiON gate dielectric stack compared to HfO2∕SiO2 stack with a comparable interface state density. The HfO2∕SiON stack layer improves leakage current characteristics with a higher breakdown field and has smaller flatband voltage shift under electrical stress, indicating improved reliability.
Erratum: Interstellar scintillation of compact extragalactic radio sources

This error affects the numerical estimates, given in Section 2, of transition frequency between weak and strong scattering ± n0, which should be increased by a factor of 1.9 ± and the angular Fresnel radius at the transition frequency ± uF0, which should be decreased by a factor of 0.7. Figs 1 and 2 should therefore appear as shown here. The scintillation time-scale at the transition frequency (equation 5) is tF0 / uF0; and should also be decreased by a factor of 0.7. The error does not affect the scaling relations given in Section 3, nor the discussion and conclusions of the paper (Sections 4 and 5, respectively). Thanks go to Leon Koopmans for drawing my attention to the error.
Projection ablation lithography cathodes for a high current relativistic magnetron

Summary form only given. Experiments have been performed on a relativistic magnetron using innovative metal cathodes (Al) rather than the cotton fiber cathode previously used. The new cathode is fabricated by projecting a pattern on the cathode and ablating the metal by a KrF laser; defined here as projection ablation lithography (PAL). The PAL cathode utilizes microtexturing of a solid metal cathode substrate to provide electric field enhancement. The potential advantages of this cathode are that, unlike microtips, which can overheat, explode and create plasma, the PAL cathode emission regions are heat-sinked to the base cathode material. Furthermore, the PAL cathode consists of pure metal, so after an initial bakeout or plasma cleaning (or a few conditioning shots), there is low gas emission (unlike fabric cathodes). The relativistic, 6-vane, (Titan) magnetron is powered by the MELBA-C accelerator with parameters: 0.3 MV, 1-10 kA and 0.5 /spl mu/s pulselength. The microwave startup time for PAL cathode has decreased to an average of 118 ns compared to 233 ns for the cotton cathode. Microwave pulselength average for the PAL cathode has increased to 217 ns, from 144 ns experimentally observed for the cotton cathode. With these improvements in microwave startup-time and pulselength, the average microwave power has remained approximately the same as conventional cloth cathodes (100-500 MW total, peak microwave power extracted). A new, triple-azimuthal-emission region has been tested as means of pre-bunching the electrons into the 3 spokes desired for pi-mode operation in a 6-cavity magnetron. This Tri-PAL cathode has demonstrated the lowest average microwave starting-times (109 ns). Cathode plasma closure for some shots has been dramatically decreased, from 3 /spl mu/s/cm to less than 0.5 /spl mu/s/cm; certain shots have even shown zero plasma closure.
Revisiting the foundations of the quantum theory of atoms in molecules: The subsystem variational procedure and the finite nuclear models

The role of finite nuclear models (FNMs) is scrutinized within the context of the quantum theory of atoms in molecules (QTAIMs). It is demonstrated that the newly proposed analytic-algebraic definition of the topological atoms is consistently extendable to the cases where a FNM is employed to construct the molecular hamiltonian. The whole variational procedure is reconsidered, and the insensitivity of final results relative to the employed FNMs is explicitly demonstrated. The analysis once again clearly demonstrates that the analytic-algebraic condition is an independent axiom that must be added to the subsystem variational procedure to construct the QTAIMs. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem 110: 1188 -1196, 2010
Long-Term Responders to Erlotinib for Pulmonary Adenocarcinoma With Wild-Type Epidermal Growth Factor Receptor: Two Case Reports and a Single-Institutional Retrospective Study

Erlotinib is an oral and reversible epidermal growth factor receptor (EGFR) tyrosine kinase inhibitor and is now used exclusively to non-small cell lung carcinoma (NSCLC) harboring mutated EGFR. However, there was historically a transient period when erlotinib was widely used regardless of EGFR mutation status. We report two cases with adenocarcinoma and wild-type EGFR status, which responded to erlotinib for unusual long time. We also retrospectively analyzed patients with adenocarcinoma and wild-type EGFR mutation status who had received erlotinib-containing regimen in our hospital. A 60-year-old woman received the second-line and tri-weekly regimen of pemetrexed (500 mg/m2 on day 1) and intermittent erlotinib (150 mg on days 2 - 16). Pemetexed was discontinued 18 months after the initiation of this regimen, but erlotinib was continued for more than 11 years. This chemotherapy successfully reduced her brain metastasis and prevented recurrence. A 58-year-old man received erlotinib monotherapy as the third-line regimen, by which multiple brain metastases disappeared. Although we tried stopping erlotinib 9 years after the initiation of erlotinib, a solitary metastasis appeared in the brain 3 months after the discontinuation of erlotinib. Between December 2007 and October 2015, 39 patients with wild-type EGFR status initiated erlotinib-containing regimens at our hospital. The response rate, progression-free survival and overall survival were 17.9% (95% confidence interval (CI): 7.5-33.5%), 2.7 months (95% CI: 1.8 - 5.0 months) and 10.3 months (95% CI: 5.0 - 15.7 months), respectively. We reported two long-term responders and survivors to erlotinib for more than 9 years, which was much longer than patients with adenocarcinoma and wild-type EGFR mutation status who had received erlotinib-containing regimen in our hospital.
Reactions in and on fractal media

This article deals with bimolecular chemical reactions. Whereas the dynamics under well-stirred conditions is readily described by ordinary differential equations, to account for geometrical or energetic restrictions is a much harder task. In the framework of random walks we discuss some modern approaches of treating different disorder aspects. We focus on fractals, which provide a good picture for spatial randomness, and on ultrametric spaces, which mimic energetic disorder. Furthermore, differences in waiting times can be incorporated in the general formalism in terms of continuous-time random walks. The study of the survival probability of the chemical species leads to rich temporal behaviours, as for instance to stretched exponential or to algebraic decay patterns. We point out the importance of the mean number of distinct lattice points visited in time t, and give a derivation of this quantity for regularly multifurcating ultrametric spaces.
Anti-phase domains in cubic GaN

The existence of anti-phase domains in cubic GaN grown on 3C-SiC/Si (001) substrates by plasma-assisted molecular beam epitaxy is reported. The influence of the 3C-SiC/Si (001) substrate morphology is studied with emphasis on the anti-phase domains (APDs). The GaN nucleation is governed by the APDs of the substrate, resulting in equal plane orientation and the same anti-phase boundaries. The presence of the APDs is independent of the GaN layer thickness. Atomic force microscopy surface analysis indicates lateral growth anisotropy of GaN facets in dependence of the APD orientation. This anisotropy can be linked to Ga and N face types of the {111} planes, similar to observations of anisotropic growth in 3C-SiC. In contrast to 3C-SiC, however, a difference in GaN phase composition for the two types of APDs can be measured by electron backscatter diffraction, μ-Raman and cathodoluminescence spectroscopy.
Cell Surface Vimentin Detection in Cancer Cells by Peptide-Based Monoclonal Antibody

Background: Vimentin is a prominent Intermediate Filaments (IFs) protein expressed in different mesenchymal origin cell types. Besides a wide range of cellular function roles associated with vimentin expression, its dysregulation and cell surface expression in the induction of malignancy properties have been reported extensively, making it a promising cancer-specific target. Therefore, this study aimed to generate and characterize anti-vimentin monoclonal antibodies. Methods: A 14-mer synthetic peptide from vimentin was conjugated to Keyhole Limpet Hemocyanin (KLH) and used for immunization of Blab/C mice and monoclonal production by conventional hybridoma technology. The monoclonal antibody was purified using affinity chromatography of supernatants from the selected hybridoma cells. ELISA, Immunoprecipitation-Western blotting (IP-WB), Immunocytochemistry (ICC), and flow cytometry were employed to characterize the produced monoclonal antibody in terms of interaction with vimentin immunizing peptide as well as vimentin protein. Results: Amid the several obtained producing anti-vimentin antibody hybridomas, the 7C11-D9 clone (IgG1 isotype with kappa light chain) showed higher reactivity with the immunizing peptide, and led to its selection for purification and characterization. The purified antibody could detect vimentin protein in IP-WB, ICC and flow cytometry of the normal and cancerous cells with different origin. No vimentin expression was found in normal healthy Peripheral Blood Mononuclear Cell (PBMC). Conclusion: Taken together, 7C11-D9 anti-vimentin monoclonal antibody might be used as immune diagnostic or immune therapeutic tool where detection or targeting of vimentin in a wide range of organisms is required.
Search for cold gas in clusters with and without cooling flows

The dominant galaxy in each of approx. 40 clusters was studied using co-added Infrared Astronomy Satellite (IRAS) survey data, and 11 of these galaxies were observed for CO (J=1 to 0) emission with the 12 m telescope at Kitt Peak. Half of the galaxies in the sample are in clusters reported to have cooling flows while the other half are not. Six of the galaxies appear to have been detected by IRAS at fairly low flux levels, in addition to one previously known strong detection; all seven have reported cooling flows. No detectable CO emission (to 2 to 3 mK) was found in any of the 11 galaxies observed. Assuming accretion rates of approx. 100 Solar Mass yr(-1), the star formation rates and efficiencies in these galaxies must be quite high in order to render the CO undetectable. At the same time, the infrared luminosities of these galaxies is unremarkable, suggesting that the correlation between star formation efficiency and infrared luminosity found for spirals may not hold for cooling flows.
An atmospheric model of intermediate complexity for data assimilation studies

Atmospheric models of intermediate complexity play an important role when studying atmospheric phenomena. Their complexity is between highly truncated low‐dimensional ‘toy’ models and modern general circulation or numerical weather prediction models. By design, computational cost associated with intermediate models is much reduced while at the same time some important aspects of atmospheric behaviour are still reasonably realistically described. Performing numerical experimentation with such models in the contexts of data assimilation, predictability, and atmospheric dynamics can produce informative results regarding those aspects for comparatively low cost. Nevertheless, as with any model‐based study, the degree to which results so obtained may be generalized to more realistic conditions remains somewhat uncertain and dependent on the specific questions being considered. An intermediate‐complexity model, named AMIC (Atmospheric Model of Intermediate Complexity) based on the nonlinear quasi‐geostrophic potential vorticity equation is presented. This global model uses a spectral dynamical core, and contains ‘physical processes’, such as climatological forcing, diffusion, and damping, designed to reasonably match AMIC's behaviour with observed atmospheric properties. While AMIC has variable horizontal and vertical resolution, the properties of AMIC are studied here for two specific resolutions (T45L6 and T106L9) and these are compared against atmospheric properties in terms of energy spectra, time‐mean and transient behaviour, and singular‐vector perturbation growth. The model's behaviour is reasonably realistic, except for its transient activity being somewhat weak, especially in the southern (summer) hemisphere. AMIC is also suited for some data assimilation and predictability studies since it contains complete tangent‐linear and adjoint models. Copyright © 2008 Royal Meteorological Society
Kinetics of Clustering and Acceleration in 1D Traffic Flow

The kinetics of car clustering in a single-lane highway traffic flow is described in terms of a Boltzmann-like kinetic equation. Effect of car acceleration upon car clustering is studied by deriving the velocity distribution of cars. The discrete version of the kinetic equation is presented to solve numerically its equation. The time evolutions of velocity distributions are calculated by numerical method. The velocity distributions in a steady state are also derived numercally by taking into account deceleration. It is shown that the velocity distribution becomes broader and broader with increasing acceleration. It is found that the clustering, acceleration and deceleration have an important effect on the velocity distribution of cars.
An algebraic method to construct the Darboux matrix

We present an effective procedure to construct the 1‐soliton Darboux matrix. Our approach, based on the Zakharov–Shabat–Mikhailov’s dressing method, is especially useful in the case of non‐canonical normalization and for non‐isospectral linear problems. The construction is divided into two steps. First, we represent a given linear problem as a system of some algebraic constraints on two matrices. In this context we introduce and discuss invariants of the Darboux matrix. Second, we derive the Darboux matrix demanding that it preserves the algebraic constraints. In particular, we consider in details the restrictions imposed by various reduction groups on the form of the Darboux matrix.
An X-ray study of the galactic center

The results from two long observations with the Einstein Observatory Imaging Proportional Counter (IPC) of an approximately 1 x 1 deg field centered near the galactic nucleus are presented. The X-ray images reveal a complex of weak sources within 20 arcmin of the galactic nucleus (Sgr A West) together with a region of apparently diffuse emission about 25 x 15 arcmin in extent. Three of the sources are tentatively identified: two with nearby galactic objects, and a third positionally coincident with Sgr A West itself (within the arcmin-accuracy available with the IPC). The nature of this source and the implications of both the high source density and presence of diffuse emission in the galactic center region are discussed.
Size induced arrest of the room temperature crystallographic structure in nanoparticles of La0.5Ca0.5MnO3

We have shown, using high resolution x-ray diffraction studies of nanoparticles, that size reduction can lead to an arrest of the high temperature phase in perovskite materials, which prevents growth of the low temperature phase that needs a specific crystal structure for its stabilization. This has been shown in the context of ∼15nm diameter nanocrystals of La0.5Ca0. 5MnO3, in which the orthorhombic distortion at room temperature freezes in and, as a consequence, the charge order cannot set in and the ferromagnetic state that sets in at higher temperature is stabilized at low temperature.
Adsorptive removal of BTEX compounds from wastewater using activated carbon derived from macadamia nut shells

In this study, adsorptive removal of benzene, toluene, ethylbenzene and xylenes (BTEX) from synthetic water using activated carbon adsorbent derived from macadamia nut shells was investigated. The surface functional groups of the synthesized adsorbents were assessed by Fourier transform infrared spectra. The specific surface area, pore size and pore volume at 77 K nitrogen adsorption, surface morphology, and the crystalline structure of the adsorbents were determined using Brunauer-Emmett-Teller, scanning electron microscopy and x-ray diffraction, respectively. Batch adsorption mode was used to evaluate the performance of the activated carbon. The stock solutions of synthetic wastewater were prepared by dissolving 100 mg/L of each of the BTEX compound into distilled water in a 250 mL volumetric flask. Effect of initial concentration of BTEX compounds, contact time, and mass of adsorbent on the removal of BTEX compounds from the synthetic wastewater was investigated. The macadamia nut shell–derived activated carbon (MAC) proved to be an effective adsorbent for BTEX compounds, with a large surface area of 405.56 m 2 /g. The exposure time to reach equilibrium for maximum removal of BTEX was observed to be 20 min. The adsorption capacity of the BTEX compounds by MAC followed the following adsorption order: benzene > toluene > ethylbenzene > xylene.
Molecular exchange processes in partially filled porous glass as seen with NMR diffusometry

The self-diffusion properties of hexane confined in porous glass with different filling fractions were studied by means of pulsed field-gradient spin echo diffusometry. The spin echo attenuation curves were analyzed over a range of 3.5 orders of magnitude. Only for the partially filled sample was the shape of the echo attenuation curves found to depend on diffusion time. This observation indicates a vapor phase contribution to the total diffusional displacements and is interpreted by molecular exchange between the liquid and vapor phases. The distribution of molecular residence times in the liquid phase is evaluated from experimental data. A thorough analysis of this distribution function yields information about the nature of inhomogeneities of the liquid’s spatial distribution inside the porous matrix, including typical sizes of the inhomogeneous regions and characteristics of exchange processes at the liquid/vapor interface. The model is further substantiated by additional computer simulations. @S1063-651X~97! 02202-2#
Anisotropic elastic–plastic analysis of shells at large strains. A comparison of multiplicative and additive approaches to enhanced finite element design and constitutive modelling

The article presents new aspects of large‐strain anisotropic elastoplastic analyses of shells. On the side of computational shell analysis we focus on recently developed brick‐type mixed finite shell elements based on trilinear displacement interpolations equipped with enhanced strain modes and shell‐typical assumed strain modifications. Here, we compare two classes of this shell element design based on a multiplicative and an additive definition of an enhanced strain measure, respectively. Furthermore, for both types of continuum‐based shell elements we outline unified interfaces to strain‐driven constitutive stress update algorithms of anisotropic finite plasticity. On the side of computational plasticity we investigate two classes of constitutive models suitable for the description of anisotropic elastoplastic response at finite strains. The first framework uses a multiplicative definition of an elastic strain measure based on a plastic map, the second an additively defined elastic strain measure based on a plastic metric. Both constitutive frameworks use Hencky‐type logarithmic strain measures and are specified to a model problem of orthotropic elastic–plastic response of a standard material. The algorithmic treatment of the two constitutive models is based on an incremental variational formulation that defines the stresses and consistent tangent moduli in terms of a function evaluation. We compare the performances of the two finite element formulations and the two constitutive models by means of numerical simulations of sheet drawing processes. For the range of metal plasticity at moderate strains it is shown that results obtained with the different approaches are close to each other, while the additive approaches provide simpler and more efficient settings. Copyright © 2004 John Wiley & Sons, Ltd.
Two-Dimensional Nonlinear Analysis of an Untethered Spherical Buoy Due to Wave Loading

The horizontal and vertical motions of a nonlinear spherical buoy, excited by synthetic ocean waves within a wave flume, is numerically and experimentally investigated. First, fluid motion in the wave tank is described using Airy's theory, and the forces on the buoy are determined using a modified form of Morison's equation. The system is then studied statically in order to determine the effects of varying system parameters. Numerical simulations then use the governing equations to compare predicted motions with experimentally observed behavior. Additionally, a commonly used linear formulation is shown to be insufficient in predicting buoy motion, while the nonlinear formulation presented is shown to be accurate.