dataesr/scientific-paragraphs-categorization huggingface dataset:
In this case data was derived from one dimensional xray scattering. Hence, precise information about interatomic distances of the hydrogen atoms was not obtained. In practice, the interference function was derived from the experimental data Ic (2h). Measured intensities were modified according to the absorptions of x-rays by the sample in order to obtain the real intensity function, Ic(2h). This intensity was only characteristic of the coherent scattering process. The weak absorption correction was performed for angular variations using geometrical arguments. It is known that in the reflection geometry the absorption corrected factor is independent of the diffraction angle; therefore in relative measurements corrections were unnecessary. Intensity measurements by transmission and reflection geometry were adjusted by overlapping the common angular domains.
Acknowledgments The authors are grateful to  Prof. Jacques Friedel  for his recent scientific discussions, which have now arranged the manuscript pedagogically, so that this complicated subject is clearer for the readers. We thank  Dr. Francoise Denoyer  for her continuous scientific discussions and  Mr J. P. Wagner  his technical assistance. We are grateful to  Dr. Colin A. Rosser  for critically reading the paper. We also thank  Mrs. Fataneh Larijani ,  Dr. Tina Saebi  and  Mr. Mehrdad Saebi  for their support. Above all we would like to acknowledge all those scientists who believe in voluntary and innocent research, without them we would not have paved along this arduous investigation.
ASSESSMENT 1. HISTORY OF THE EVALUATION OF THE SUBSTANCES BELONGING TO FGE. 213 In the EFSA Opinion "List of α,β-unsaturated aldehydes and ketones representative of FGE. 19 substances for genotoxicity testing" (EFSA, 2008c), representative flavouring substances have been selected for FGE. 19 subgroup 2. 7, corresponding to FGE. 213. In the first scientific opinion on FGE. 213  (EFSA, 2009) , the Panel concluded that based on the data available the concern with respect to genotoxicity could be ruled out for 11 substances,  07. 056, 07. 057, 07. 075, 07. 076, 07. 080, 7. 117, 07. 118, 07. 119, 07. 120 and 07. 168 ]. Nine of these substances have been evaluated by the JECFA before 2000 to be of no safety concern and in accordance with Commission Regulation (EC) No 1565/2000 no further considerations is requested.
089] (Marzin, 1998) (Stone, 2011b) 2,6,6-Trimethylcyclohex-2-en-1,4-dione [FL-no: 07. 109] (Bowen, 2011a) (Lloyd, 2011) 4. Industry Response to Data Requested in FGE. 2134. 1. Presentation of the Additional DataBased on Panel requirements published in FGE. 213 (EFSA, 2009), additional data have been provided by the Industry for the representative substances: beta-ionone [FL-no: 07. 008], maltol [FL-no: 07. 014], beta-damascone [FL-no: 07. 083], nootkatone [FL-no: 07. 089], and 2,6,6-trimethylcyclohex-2-en-1,4-dione [FL-no: 07. 109] The present FGE. 213, Revision 1 (FGE. 213Rev1), includes the assessment of these additional genotoxicity data. The study types provided are shown below: Substance /.
Acknowledgments TC gratefully acknowledges  UPMC  for financial support (PhD Grant No. :  322/2012 ). The authors would like to thank the  IMPC (Institut des Matériaux de Paris Centre)  through the  "plateforme de microscopie électronique ". The authors also acknowledge financial support from  COST Action MP0903 Nanoalloys. The aberration corrected STEM instrument used in this work was funded by the  Birmingham Science City  project. RLC and ZYL acknowledge the  Engineering and Physical Sciences Research Council U. K. for financial support (Grant No. :  EP/G070326/1 ). J. Olek  ( Engineer, Agilent Technologies ) is acknowledged for his prompt and useful assistance in the use of the -GC system.
Acknowledgments This work has been financially supported by the  EU 7th Frame Project FP "ORION" ("Ordered Inorganic-Organic Hybrids using Ionic Liquids for Emerging Applications")  project (Collaborative Projects-Integrating Projects  CP-IP 229036-2 ). The financial support from the  Research Project Programma Operativo Nazionale Ricerca e Competitività PON   R&C 2007-2013 "MAAT" ("Molecular Nanotechnology for Health and Environment ") (Project number:  PON02_00563_3316357 ) and from " RADIUS" ("Ricerca avanzata su materiali e dispositivi organici innovativi per l'utilizzo nel solare ") are gratefully acknowledged.
Characterisation of the deposited layers The deposited layers were characterised by spectroscopic ellipsometry and SEM (Thermal Field Emission (FE-SEM) type equipped with a Gemini column (Zeiss)) imaging after the OR measurements. Prior to characterisation, the substrates were rinsed with deionised water and dried with nitrogen gas of 6. 0 grade. The thickness of the deposited layers was measured by a UVISEL-NIR ellipsometer (Horiba Jobin-Yvon) and evaluated in the DeltaPsi 2 software. The substrate surface was modelled as a stack of a layer of silica (110 nm thick) and a layer of alumina (12 nm thick) on a silicon wafer. The deposited silica nanoparticles were modelled as a mixture of silica and voids to account for the discontinuous coverage. The surface coverage was also examined by SEM using image analysis software (Esilab, Microvision Instruments).
Such formulations appear to be desirable especially for some welding applications in which the material is stirred in the neighbourhood of a rotating tool, like in Friction Stir Welding-type processes. In such processes, the heat generated by friction and the motion of the material generates a mix which joins the parts to be welded after cooling. Thus, a strong interaction between thermal and mechanical effects drives the welding stage. Actually, the new elements are developed within the context of the modelling of the Friction Stir Spot Welding process  [15, 16]  recently implemented in the finite element code SYSWELD R ⃝ [14].
Second, the phosphorescence spectrum of CT could be successfully recorded at 77 K in pentane (Figure  4 , inset) allowing the determination of the 0-0 level of the T 1 -S 0 transition at 435 ± 5 nm. This value is in line with the data of Figure  4. Indeed, the energy transfer becomes notably small above 450 nm, i. e. , if HA CM is excited with radiation whose energy (265 kJ mol -1 ) is lower than the energy needed to generate 3 CT* (275 kJ mol -1 ). This observation is in favor of an energy transfer case from 3 HS* to ground state CT. (iii) The ability of HSs to generate singlet oxygen upon excitation with polychromatic light was measured. Details of the measurement are described in the SI. The quantum yields of singlet oxygen production are listed in Table  1. The three HSs that exhibit the highest sensitizing effect on CT (HA CM , FA E , and HA E ) are those that show the highest quantum yields of singlet oxygen production.
When CT is irradiated in polychromatic light and in the absence of oxygen, both direct photolysis of CT and a sensitized reaction are expected to take place. The greater accelerating effect in a deoxygenated medium than in air-saturated solution (Figure  3 ) supports this hypothesis. Therefore, (r CT ) HS argon is given by eq 20: = Φ + + + + Φ + + + + r I k k k k k I k k k k k k k k ( ) ( The first term corresponds to the direct photolysis of CT in the presence of HS, and the second term corresponds to the humic sensitized reaction. To evaluate the rates of the sensitized reactions in polychromatic light, we used data obtained at 406 nm and postulated that the rates only differ by the amount of photons absorbed. Calculations were carried out for HA CM , FA E , and HA E , i. e. , for the three HSs for which the accelerating effect is important and direct photolysis is negligible at 406 nm.
Above the T g , the center of masses of the molecules of ethanol remain fixed occupying the characteristic sites of the bcc structure, but at the same time they are free to rotate. As a result of this rotational freedom the dielectric spectrum of plastic crystal ethanol shows a strong dispersion with a maximum of dielectric loss ( ) located approximately at 5 Hz for a temperature of 115 K. 11, 12  As it was indicated above, successive dielectric measurements were run in parallel to the neutron diffraction experiments 0. 5 1. 0 1. 5 2. 0 2. 5 3. 0 of PC ethanol during its transformation into a monoclinic crystalline phase. Dielectric loss data are normalized to the value at the maximum loss for the data at time 0 h. Every dielectric spectrum was collected with an acquisition time of 10 min.
8 approximately. Only for large volume fractions of monoclinic phase, the primary relaxation time of the remaining plastic crystal ethanol seems to keep constant or slightly increase. At the bottom, the variation of the normalized dielectric strength for the Debye ( ) peak with the MC volume fraction is shown. Data for the secondary relaxation ( ) are also included for comparison. A nonlinear behaviour is clearly observed for the prominent Debye peak. Considering that the Debye peak arises from the dynamic character of the hydrogen bonding network that connects the ethanol molecules across the bcc lattice of plastic crystal ethanol, the results shown in Fig. 7(b ) reveal that the disruption of the hydrogen bonding network is not directly linked to the total ordering of the molecules into the monoclinic lattice.
The repeatability and the linearity of the response can thus be evaluated. The thermal response is measured with an IR camera CEDIP JADE III MW under ALTAIR software, through a sapphire window above the gas chamber. The principle is to use each camera pixel as a small thermometer. A differential thermal average measurement is performed between a surface occupied by a determined mass of nanopowder and a free surface of the same area separated by a small distance on the same substrate. All electronic devices and pneumatic valves are monitored by a LabVIEW application, via a Com-pactRIO/FPGA.
Acknowledgments In Xiamen , this work was supported by the  Natural Science Foundation of China  (Nos. 21373174 ,  20973144 ,  21021002 ), the  Natural Science Foundation of Fujian Province of China  (No. 2012J01054 ), the  Fundamental Research Funds for the Central Universities  (No. 2012121026 ), and the  China Scholarship Council. In Paris , this work was supported in parts by  ENS ,  UPMC ,  CNRS  ( UMR 8640 ) as well as by the  ANR  ( ANR-10-CEXC-012-01  grant) awarded to  I. S. Both  groups also thank the  CNRS-ENS-Xiamen University international joint laboratory LIA XiamENS  for support.
Thermal Characterization Differential scanning calorimetry was used to quantify the melting and quiescent crystallization behavior, using a DSC Q2000 apparatus (TA Instruments). The sample was heated with 20 8C Á min À1 from À10 to 200 8C and subsequently cooled with the same rate to À10 8C and again heated to 200 8C. The melting peak (of the 2nd heating run), T m , the crystallization peak, T c , and the onset of crystallization (temperature where heat-flow decreases below the baseline), T c,onset , are determined using the TA Universal Analysis 2000 software.
Particle Tracing To identify the velocity of the film at a certain distance from the die, and the time to reach that position, movies of the bubble were collected for each processing condition by means of a CCD camera and analyzed using the Kinovea software package. For that purpose, pieces of black tape were placed on the film surface as a marker and tracked as a function of time. As an example, some movie frames are shown in Figure  2. Due to a slight misalignment of the die, a asymmetry is observed in the bubble shape. The position of the tracker given by the software, i. e. , pixel versus time, was first converted into distance from the die as a function of time by means of a calibration image, and then smoothed. The axial velocity profile, v z , as function of distance from the die, z, was obtained by calculating the time derivative of the data.
X-Ray Experiments and Framework for Data Analyses The film blowing experiments were combined with 2D wide-angle X-ray diffraction (WAXD) measurements at the Dutch-Belgian (DUBBLE) beamline BM26 of the European Synchrotron Radiation Facility in Grenoble, France. [32, 33] he vertical position of the extruder with respect to the X-ray beam could be adjusted by raising the die and extruder step-by-step through a manually operated hydraulic lift table. The adopted setup is shown schematically in Figure  4. The source-ray photon wavelength was set to 1. 033 A ˚, the X-ray beam was 300 mm in diameter. Measurements were done at ten die-beam distances between 15 and 40 cm. In each position, 10 WAXD patterns.
Material Density were acquired with an exposure time of 10 s, which resulted in a time average of about 2 min. For each height step in a given experiment, crystallinity and molecular orientation was evaluated as the average of at least three patterns. With an average of about 50 m, the exposure time used provided a clear diffraction pattern. All patterns were collected by means of a CCD detector (Photonic Science, UK) with 1024 Â 1024 pixels of 97. 65 Â 97. 65 mm placed at approximately 170 mm from the bubble surface. All WAXD data were background subtracted and integrated using the software package FIT2D (ESRF, France). The X-ray crosses the bubble twice and, depending on the bubble diameter, the diffracted patterns of the front and back face of the bubble can be either conjoined or separated.
Acknowledgements: The authors would like to thank all people involved during the actual experiments at the  ESRF. We would like to thank  Dr. Dieter Lilge ,  Dr. Gerd Mannebach  and  Uwe Faller  from  LyondellBasell R&D , for providing the samples, performing the molecular characterization, the setup of the film-blowing line in Grenoble and the valuable input. Bob Fifield  is acknowledged for his help with operating the film blowing setup. The  Netherlands Organisation For Scientific Research (NWO)  is gratefully acknowledged for access to the DUBBLE beamline. The  Dutch Polymer Institute  is acknowledged for continuing support for both the beamlines as well as enabling the research described in this work.
In addition, the lack of measurement protocols leaves ambiguity on the reliability of the micro-compounder as a tool for viscosity measurements. This situation was the motivation for the current study. In this paper, a detailed methodology is proposed for the determination of the viscosity for various thermoplastics polymers (polyolefins and polyamide 6) exhibiting different melt flow index ranging from 0. 8 to 800 (g/10min). The way to obtain reliable flow data is discussed as well as the shear rate dependance on the viscous properties of each material. Viscosity measurements were carefully investigated as regards to the repeatability of the data. Finally, to demonstrate the accuracy of viscosity measurements and the interest of microcompounder as a rheological instrument, an example of application is given.
The extrudate was then collected and directly used to prepare tensile test specimens by micro-injection using a micro-injector (Haake Minijet II, Thermo Scientific, Germany) at a barrel temperature of 240 C and a mould temperature of 80 C with an injection pressure of 50 MPa, an injection time of 5 seconds, a holding pressure of 35 MPa and a holding time of 5 seconds. Finally, blend morphology was examined by scanning electron microscopy on a microscope (SEM, Hitachi S4300 SE/N, Japan) operating at an accelerating voltage of 15 kV and a probe current of 130 pA. SEM micrographs of the PP/ PA6 blends were taken from the injection-molded samples fractured in liquid nitrogen and then coated with gold to avoid charging on the fracture surface. The average PA6 domain diameters and their distribution were measured on the fractured surfaces by means of image analysis software (ImageJ©, USA).
Capillary rheometry measurements Apparent melt viscosities of the polymers and the blend were measured at 200 and 240 C by using a capillary rheometer (Goettfert, Rheograph 2001 Model, Germany) equipped with a capillary die having a diameter (D) of 1 mm and a length (L) of 10 mm (L/D ratio of 10). The entrance pressure (DP) is measured directly above the die entrance by a pressure transducer of 50 MPa. The rheometer cylinder is 25 cm long and 1. 2 cm in diameter. Material can be extruded through the die at controlled linear piston velocity (V) ranging from 0. 01 to 20 mm/s. The shear stress at the capillary wall (t) can be calculated from Equation (1): t ¼ ðD=2Þ Â DP 2L (1) The apparent shear rate (g • a ) can be estimated from Equation (2)  [17] : g • a ¼ 4 Â Q V p Â ðD=2Þ 3 (2) where DP is the pressure gradient and Qv is the volumetric flow rate, deduced from Equation (3): Q V ¼ V xpxðD=2Þ 2 (3) Capillary data were corrected using the Rabinowitsch relationship  [18]  to take into account of the shear thinning behaviour of the materials under investigation (Equations (  4 ) and (  5 )).
Before each measurement, several grams of polymer formulation were passed through the system to clean the screws and the channel slit. Then, the micro-compounder was set to "cycle" mode, such that all material was directed into the slit channel (Fig. 2 ). At each speed step, the equilibrium pressure was measured and the shear stress calculated with the aid of a computer-controlled system application (HAAKE Polylab Software, Thermo Scientific, Germany). The experimental procedure is schematically shown in Fig. 3. In a channel with rectangular slit geometry such as the one used in the micro-compounder (Fig. 4 ), the shear stress at the wall of the channel (t) is determined by the formula (Equation (  6 ))  [17] : t ¼ h Â w Â DP 2 Â ðh þ wÞ Â DL ( 6 ) where h is the height of flow channel (1.
Therefore, the mass of the polymer that is transported into the circulation bypass is equal to the output mass flow of the extruder. By measuring the total weight (m w ) over a given time interval (t), the mass flow rate (Q m ) for each rotation speed (n) is measured. The experimental procedure is schematically shown in Fig. 5. Before each measurement, several grams of polymer formulation were   passed through the system to clean the screws and the channel slit. Then, the bypass valve was closed to allow the recirculation of the sample. After a mixing time of one minute at the operating temperature, the bypass valve was opened and the extrudate was recovered for weighting. It is important to note that the melt density values of the polymers can be easily obtained by a numerical fit from the pressure-volume-temperature (PVT) data found in the literature through specific handbooks [25e28].
Many forms of fit equations of the thermodynamic data are available from polynomials to exponential relationships  [29]. Nevertheless data fitted to a specific experiment may not be appropriate for use in circumstances in which the history of a sample is entirely different  [29]. In this study, melt density was measured using a capillary rheometer (Goettfert, Rheograph 2001 Model, Germany) by extruding the molten material at a specific volumetric flow rate, Q, and measuring the total weight (m w ) over a given time interval (t). The rheometer piston pushes the melt at constant rate and temperature, through a die of known length and diameter. The sample at the desired melt temperature (200 C or 240 C) is extruded from the die, so that a clean string of extrudate begins to form. Using scissors and stop watch, a segment of the extrudate is collected over a reasonable time period, t (20 s).
This validates the linear relationships between the screw rotation speed and the volumetric flow rate. Thus, the use of a calibration constant C (Equation (  13 )), as proposed in Thermo Software, is valid. Nevertheless, it also clearly appears that the two methods lead to very different results, the mismatch being always higher than a decade, suggesting the invalidity of the default calibration constant (C ¼ 8 Â 10 À7 m 3 /r) used in Thermo software by default for materials tested in this study. It is also seen that for identical chemical nature of the polymer and identical screw rotation speed, the measured flow rate depends on the melt flow index (MFI) and on the extrusion temperature. The difference between the measured and calculated volume-flow rates is higher for low MFI values (Fig.
Comparison between on-line (micro-compounder) and off-line rheometry results As an example, Figs. 7  and 8  show the viscosity curves of PA6 and PP2 at 240 C as a function of shear rate and typical shear rate range for compression molding, mixing, compounding/extrusion and injection molding processes. The viscosity data were acquired using oscillatory rheometry (crossed squares), rod capillary die rheometer (blank squares), micro-compounder equipped with a flat die and the present proposed experimental protocol (full squares) or micro-compounder and the equation and the calibration coefficient proposed by the micro-compounder manufacturer (triangles). It is observed that the viscosity versus shear rate curve from the micro-compounder measurement associated with the present experimental protocol fit reasonably well with the viscosity data obtained using oscillatory or rod capillary rheometry.
Acknowledgments The authors are indebted for valuable assistance provided by  Laurent Charlet  from  Mines Douai  in rheology and extrusion experiments. They acknowledge  Dr Bernd Jakob  and  Dr Dirk Hauch  from  Thermo Scientific Company  for helpful discussion. The authors also gratefully acknowledge the  International Campus on Safety and Intermodality in Transportation (CISIT) , the  Nord-Pas-de-Calais Region  and the  European Community (FEDER funds)  for funding contribution to the acquisition of the micro-compounder, the dynamic rheometer and the scanning electron microscope.
1990). In some cases, however, data for short times (e. g. , from 0. 01 s) with the rapid G(γ 0 ,t) decline included have been published. For instance, in the work of Archer and coworkers  (Islam et al. 2001; Juliani and Archer 2001; Archeretal. 2002) concerning nonlinear shear relaxation of entangled polymer solutions, features of the rapid G(γ 0 ,t) drop at short times were clearly displayed, although no particular explanation was given for them. Their step shear experiments were performed using a stress controlled rheometer (i. e. , Anton Paar Physica Modular Compact Rheometer (MCR300)) equipped with stainless steel cone-and-plate fixtures, with the nonlinear step strains being imposed, as claimed by the authors, in less than 0. 1 s for their materials. In their cases, they argued that it was appropriate to consider the imposed deformation as a step strain since the terminal relaxation time of the materials exceeded the strain imposition times by more than an order of magnitude.
Here one question arises: does the rapid relaxation modulus G(t,γ) decline that occurs immediately after the step strain result from a technical reason like the imperfect strain history or is it from a molecular reason like chain disentanglement, as proposed by  Wang et al. (2007) ? In the present study, we attempt to shed light on the short time period of a stress relaxation measurement after a step strain using both stresscontrolled and strain-controlled rheometers. To this end, emphasis is given to the possible origins of the onset of the rheological nonlinearity and its relations to some common technical problems that might generate errors. Hence, some pertinent originalities in this work are as follows: (1) to assess the comparability between stress-controlled and strain-controlled rheometers involving step strain experiments; (2) to check whether the data in the transient period can be taken into account or not.