dataesr/scientific-paragraphs-categorization huggingface dataset:
Introduction In service, industrial elastomeric parts are subjected to severe multiaxial mechanical loading conditions, thus the use of finite element calculations during their design necessitates robust and accurate hyperelastic constitutive equations. The easiest and most common method adopted to determine the most relevant constitutive equation for a given material consists in performing uniaxial tension-compression experiments. Nevertheless, identifying the corresponding material parameters with such experimental data leads to poor prediction of the mechanical responses for non-uniaxial loading conditions (see for example  [20, 30] ). The first method to overcome this limitation is to enrich the experimental database with supplementary data issued from other loading condition experiments, such as pure shear, simple shear or equibiaxial tension.
Effect of OM on NDL-PCBs' adipose tissue concentrations In order to assess the impact of the different matrices on bioavailability of the contaminant, variance analyses were performed. Concentrations of each NDL-PCB congener in adipose tissue were compared between the different treatment groups (n 54 to 5 for each group) using the GLM procedure and Tukey-Kramer post-hoc test in SAS (Statistical Analysis Software, SAS/STAT 9. 1, SAS Institute Inc. , Cary, USA). Differences were considered significant at p,0. 05.
Relative bioavailability (RBA) estimates calculation In order to compare the bioavailability between the soils and the oil-reference, relative bioavailability was calculated as the ratio of the PCB concentration in adipose tissue from soil groups to those from the oil-group (100% reference), adapted from a method previously described  [17, 18]. As adjusted means of concentrations of control animals did not differ from 0 (p. 0. 357) (see 2. 5. 2), data was not corrected with these values. In order to assess differences of retention by OM between congener, a multivariance analysis was performed. Statistical analyses were carried out using MIXED procedure SAS (9. 1, SAS Institute) on RBA values. Each piglet was considered as an experimental unit. RBA values of each NDL-PCB congener in adipose tissue were analysed using mixed model with treatment group and NDL-PCB congeners as fixed factors and piglets as random one.
Acknowledgments The authors are grateful to the  French Ministry for Agriculture and Agence de l'Environnement et de la Maitrise de l'Energie (ADEME)  for their support. They thank  S. Denys  ( ANSES ) for scientific comments,  S. Poinsignon  ( UR AFPA ),  C. Grandclaudon  ( UR AFPA ),  S. Lerch  ( UR AFPA ) and  C. Soligot  ( UR AFPA ) for NDL-PCBs analyses. In addition the authors thank also  P. Hartmeyer  ( UR AFPA ) and  H. Toussaint  ( UR AFPA ) for providing care to piglets.
Acknowledgments This research has granted access the HPC resources of [CCRT /CINES /IDRIS] under the allocation i20142b2277 made by  GENCI  ( Grand Equipement National de Calcul Intensif ). The data used herein was produced on the  IBM Blue Gene/P computer Babel at the IDRIS/CNRS computing center, Orsay, France. Cross-channel statistics  from the DNS database can be publicly accessed on-line at http://lml. univ-lille1. fr/channeldata/.
ACKNOWLEDGMENTS This work was granted access to the HPC resources of IDRIS under the allocations  2013-100172  and  2014-100384  made by  GENCI  ( Grand Equipement National de Calcul Intensif ). We would like to thank  Anatoli Stepanov  for fruitful discussions and for bringing our attention to this compound. This work has been carried out within the framework of the  ICoME2 Labex  ( ANR-11-LABX-0053 ) and the  A * MIDEX  projects ( ANR-11-IDEX-0001-02 ) cofunded by the  French program  " Investissements d'Avenir " which is managed by the  ANR , the  French National Research Agency.
Its measuring range is 0-250 bar with a sensitivity of 19 pC/bar. In-cylinder pressure data were acquired over 100 consecutive engine cycles with a resolution of 0. 1 crank angle (CA) degree at all operating conditions. The overall uncertainty on the pressure measurement is below 2% of the measured value. A Kistler crankshaft encoder provided crank position data and was dynamically aligned with engine TDC using an AVL TDC probe. A heat release analysis was performed on the basis of the in-cylinder pressure data. The algorithm developed for data processing is based on a single zone model which determines the heat release using the first law of thermodynamics. The model assumes that the pressure is homogeneous inside the combustion chamber, the specific heat a function of the temperature only.
120 mA. The determination of mechanical relaxation was measured on a dynamic mechanical analyser DMA50 (Metravib, Lyon, France). A tensile mode was used with a dynamic strain imposed of 0. 01%. The temperature ramp was xed from À40 C to 180 C at 3 C min À1. Samples were coated with hydrophobic grease in order to limit dehydration during the test. Powder X-ray diffraction (XRD) was conducted using a using a Bruker D5000 with copper K q1,2 -radiation. The assignment of the different phases present in the samples was carried out using the Powder Diffraction File (PDF) from the International Centre for Diffraction Data (ICDD). The search-match routine implemented in the soware EVA (Bruker AXS, Karlsruhe, Germany) was used to identify the crystalline phases. The diffraction patterns were collected using the following conditions: 2q range: 5 -60 , step size: 0.
02 , step time: 15 s (long measurement) taken over 11. 5 hours; all samples were measured on conventional sample holders with no adhesive substances being used. The diffraction pattern of the sample "corn starch" can be assigned to the data base entry for corn starch (PDF 39-1911). Injection moulding was carried out on a Demag Ergotech 80-310 Compact 80 ton plastic injection mould machine operating at 200 C and 60 bar.
Electrical Measurements All fundamental electrical and sensor measurements were performed at room temperature, using a 6517B Keithley electrometer equipped with an embedded DC voltage supply. The electrometer was controlled through a home-made software relying on a GPIB (IEEE488. 2) bus connection for data communication. Current-voltage (I-V) curves were registered with voltage values ranges depending on the devices while taking care to start and finish at 0 V bias, in order to avoid any irreversible polarization effect, except for gas sensing experiments. Usually our resistors are polarized with a constant bias of +1 or +3 V. With humidity exposure and hydrophilic and hygroscopic materials, +1 V was selected to prevent the electrodes reduction by water into the film. The solvent casted devices were used with a particular protocol to minimize the protonic conductivity: The current measured was the average of the absolute current measured at +3 V and -3 V.
Acknowledgements The authors acknowledge the  Agence Nationale de la Recherche (A. N. R. , France)  for funding through the  ANR  project  CAP-BTX 2010-Blan-917-02. The authors also wish to acknowledge the  Conseil Régional de Bourgogne  for funding through the  program PARI SMT 08 IME-Région Bourgogne  and a  Ph-D grant  ( Pierre Gaudillat ) through the program  Jeunes Chercheurs Entrepreneurs. Financial support from the  European Union  and the  Conseil Régional de Bourgogne  through the  FABER program  is gratefully acknowledged. Europhtal is thanked for providing the sulfonated cobalt phthalocyanine s-CoPc.
The maximum in-cylinder temperature reaches its steadystate values much faster, and as a result, is considered to be quasi-static. A simplified model is used to represent the dynamics of the intake manifold burned gas ratio (Eq. 24). It consists of a delayed first order filter of the BGR static value: sðtÞ _ F est 1 ðtÞ þ F est 1 ðtÞ ¼ F ss 1 ðt À t d ðtÞÞ ð24Þ where the time constant s and the time delay t d are parametrized as a function of the engine speed: sðtÞ ¼ b f N e ðtÞ ð25Þ The BGR map F 1 has the general form: F 1 ¼ 0ðN e ; T eng Þ ð 27Þ The burned gas ratio dynamic model is compared with experimental results in Figure  12. The model is in good agreement with the observed test data and be used as a reference EGR system model into the torque control strategy. Table  5  compares the estimated cumulated emissions and the NO x transient contribution on these emissions during driving cycles with the corresponding experimental results given in Table  3.
Experimental data Model F 1 ss F 1 m (experiment) F 1 est (model) Figure 12 Comparison between measured and estimated intake manifold burned gas fraction (top) and NO x emission (bottom) during a gear change. O. Grondin et al. / Energy Management Strategies for Diesel Hybrid Electric Vehicle the torque setpoint requested by the EMS relies on a Mean Value Model (MVM) of the engine NO x emissions presented in the previous subsection. This model links the NO x emissions with the engine speed (N e ), the intake BGR (F 1 ) and the maximum cylinder temperature ( Ĥcyl ). These variables are recognized as first order variables of NO x formation in compression-ignition engines. The NO x model, has the general form: NO x ¼ /ðN e ; Ĥcyl ; F 1 Þ ð 28Þ The steady-state NO x level is: NO ss x ¼ /ðN e ; Ĥss cyl ; F ss 1 Þ ð 29Þ The BGR sepoint F ss 1 is computed from a static map (27).
Obtaining a "good" powder, that is, composed of a large number of randomly-oriented small crystallites, is also a tricky operation for light molecular compounds. Indeed, these soft solids can easily and rapidly form large crystallites to minimize the surface energy (Ostwald ripening), and reorient to minimize the strain when the pressurizing conditions are not hydrostatic, which is the case when no pressure medium is used (the stress is then greater along the DAC loading axis). These two effects result in a powder pattern which is largely spotty and textured, from which structure solution and refinement are unreliable if not impossible. In summary, the choice between single crystal or powder highly depends on the system and particular high pressure phase of interest. A combination of the two might also be useful, as the lattice parameters and candidate space groups can be generally readily obtained from a powder pattern, which can then help in analyzing data from poor or twinned single-crystals.
The refined atomic positions were as follows: O1 [0. 029(1), 0. 266(1), 0. 177(1)], O2 [0. 247(1), 0, 0. 177(1)], O3 [0. 190(1), 0,0. 177  (1) ]. The other study, which gives a more complete description of the structural arrangement in the ε phase, came out from a collaboration between L. Lundegaard and M. McMahon from the SUPA group at the University of Edinburgh, S. Desgreniers from the University of Ottowa and G. Weck and P. Loubeyre at the CEA  [46]. They used the single crystal X-ray diffraction technique with a CCD detector to determine the structure of the ε phase. The oxygen crystals were grown from a 2. 6 mol% O 2 in helium mixture at 450 K and 22 GPa following the method described in the Experimental section. Two samples were prepared with different crystal orientations and the data were collected at three pressures between 13 and 18 GPa.
Measurements were carried out on station 9. 8 at the SRS, Daresbury Laboratory. The structure was solved with the structure solution software SIR92 in the C2=m space group with no additional constraints on the atomic positions. The refined parameters are presented in Table  1. The solved structure is similar to the one obtained by Fujihisa et al. with three symmetry-inequivalent atoms: two (oxygen O1 and O2) at the 4i positions of the C2=m space group and the third (O3) at the 8j position. As in the βÀδ phases, the ε phase is composed of layers of O 2 molecules with their molecular axis perpendicular to the layers. But in contrast to the low pressure phases, the distances between the molecules within the layer are not equivalent. The ε structure can hence be described by the association of four O 2 molecules arranged into a rhombo-shaped (O 2 ) 4 molecular unit, but preserving their diatomic character.
The (O 2 ) 4 clusters are centered at the origin of the lattice and at the center of the ab plane (see Fig. 6 ). The distance between the O 2 molecules within the O 8 unit is 2. 18 Å at 17. 6 GPa while the distance between neighboring O 8 unit is 2. 57 Å. The large volume contraction observed at the δ-ε phase transition can now be explained by the dramatic reduction of the nearest neighbor distance from 2. 57 in the δ phase at 9. 6 GPa to 2. 25 Å in the ε phase at 13. 2 GPa and hence by the formation of the (O 2 ) 4 molecular cluster. This new molecular arrangement, with a D 2h symmetry, allows for nine Raman and seven infrared vibrational modes. Their vibrational frequencies were calculated within the density functional theory using the Spartan 5. 1 software  [47]. Three infrared modes were found to have significant absorption (at 292 cm À1 , 1433 cm À1 and 1500 cm À1 ) in agreement with the reported infrared spectroscopy data  [43, 48].
The sharp diffraction spots testifies of the high quality of the crystal: the average mosaicity measured in the plane of the detector is 0. 21°. Reduction of the data set was conducted with the Crysalis Pro software  [62]. All 400 measured reflections could be indexed with a rhombohedral unit cell with lattice parameters a R ¼ 6:108ð1Þ Å and α R ¼ 89:87ð5Þ°(or a H ¼ 8:628ð1Þ Å, c H ¼ 10:604ð4Þ Å for the conventional R-centered cell with hexagonal axes). From the estimated density, it was determined that the primitive cell contained 8 molecules (respectively 24 in the R-centered cell). Analysis of the systematic absences suggested either the R3c or R 3c space groups, with an internal agreement factor R int of 0. 01. The structure was solved in R3c using ab initio methods as implemented in the Sir2004 software  [63] , but it turned out that the same solution could be refined in R 3c with no loss in fit quality (a centrosymetric structure was also supported by E-statistics  [64] ).
Refinement of the atomic positions and anisotropic thermal parameters (20 parameters in total for 157 independent reflections) was conducted with the CRYSTALS software  [65]. The final residual factors R 1 and wR 2 were 0. 035 and 0. 068 respectively, showing that the model fits very well the data. The structural parameters, data collection and refinement details are given in Table  2. Diffraction data sets were also collected at 18. 3 GPaÀ 295 K (from the same crystal) and at 15. 9 GPaÀ638 K (from a different crystal), which gave the same results as the first one. A representation of the unit cell of phase IV is shown in Fig. 14. It contains two symmetry inequivalent molecules, M1 and M2. M1 lies along the 3-fold axis on a site of symmetry S 6 , whereas M2 is oriented perpendicular to the 2-fold axis at (0, y, 1/4) and occupies a site of C 2 symmetry.
An arbitrary width has been added to the simulated peaks for easier visualization (3 and 0. 7 cm À1 for lattice and ν 2 modes resp. ). Symbols indicate calculated frequencies for E (y) and A (y) modes. θ Fig. 16 : Comparison between simulated X-ray powder diffraction patterns of the R 3c and Pbcn structures. The top black and bottom red solid lines are the simulations for the R 3c and Pbcn structures respectively, obtained with the FULLPROF software  [94]  using a X-ray wavelength of 0. 3738 Å and unit cell, and displacement parameters at GPa-300 K in Ref. [58]  for in Ref. [61]  for R 3c (see also Tab. 2). circles are a LeBail fit of the Pbcn pattern the R 3c structure (with all atomic parameters fixed), and the blue line is the fit residual. w ¼ 1=½σ 2 ðF o 2 Þ þ 0:023P 2 þ 2:11P with P ¼ ðmax ðF o 2 ; 0Þ þ 2F c 2 Þ=3 Structure Space group R 3c Unit cell (Rhombohedral axes) α R ¼ 6:108ð1Þ Å α R ¼ unrealistically large: typical values for these parameters are in the range 0.
Structure solution was thus sought for each of these space groups and for Z ¼ 4 or 5, using the direct-space method implemented in the ENDEAVOUR software (Crystal Impact)  [93]. No physically reasonable solution was found for I4 1 =amd and I4 1 md, while the search rapidly converged for I 42d and Z ¼ 4 to a solution with a low Bragg R-factor of 9%. As a matter of fact, starting with space group P1 and Z ¼ 4, the search also invariably converged to the same I 42d structure, showing that it is a deep minimum of the cost function. Full profile refinements of the X-ray patterns were conducted with the FULLPROF software suite  [94]  1. The values of the parameters obtained for the CO 2 -V phase from refinements of the spectra at +41 GPa are given in Table  3. The structure of CO 2 -V is displayed in Fig.
Acknowledgments: The work cited in this manuscript was made in great part possible thanks to the contributions of our colleagues at  IMPMC  and  CEA  and collaborators at  ESRF ,  University of Edinburgh  and  University of Otawa , whom we would like to thank and acknowledge. We also acknowledge the  ESRF  and  SRS laboratory  for provision of beamtime, IDRIS for provision of computing resources and the  European Union  for funding through the  Erasmus Mundus program.
[22] The structuralchanges of the metal sites inducedbyC Oadsorption have been monitored in at ime-resolved manner by the combined techniques of energy-dispersive extendedX -ray absorption spectroscopy (EDE), diffuse reflectance infrared Fouriertransform spectroscopy (DRIFTS) and mass spectrometry (MS). [21, 23]   DE is au nique type of X-ray absorption spectroscopy (XAS) measurement that provides the band of energies for the X-ray absorption fine structure (XAFS) spectrum in milliseconds. Simultaneous monitoring with DRIFTS (data acquisition of 100 ms) and MS techniques gives an invaluable insight into the catalytic systems under operating conditions. These dynamic, time-resolved studies can be appliedt ot rack the structural and kinetic changes and identify any transients pecies. However,t he signal-to-noise ratio is considerably higher when compared with standard XAS measurements, which were also appliedi nt his research.
The RhÀCO interactions weres tudied at 323, 373, 423, 473 and 573 K. Each experiment lasted 120 sa nd the EDE/DRIFTS/MS data were collected simultaneously. An ew sample was loaded for each experiment at the selected temperature. In the case of the steady-statee xperiment, after the pretreatment stage, as ample was exposed to 5% CO/He for 30 min until the XAS spectrum wasr ecorded. The XAS measurements were acquired at the same time as the switch to the CO/He gas feedstock occurred. Then the catalyst was heated to 423 and 573 Ku nder af low of continuous CO/He. T he spectra were collected at 323 Ku nder He, after cleaning, and then during purging with 5% CO/He at 323, 423 and 573 K.
Moreover,E XAFS data indicatet he presence of larger Rh particles, even after long CO exposure, for which not all Rh atoms are accessible for coordination to CO. Rhodium carbonyl clusters, such as Rh 6 (CO) 16 ,h aveahigher Rh/CO ratio;  [35]  however,t here has been no confirmation by other techniques that these species are present in the studied Rh catalyst. At higher temperatures, the CO uptake diminished, as confirmed by mostly linear and bridged speciesp resent on the Rh surface. Similarl evelso fC Ou ptake were observed for 4wt% Rh/CeO x /Al 2 O 3 (method I). However,as ignificantly lower CO uptake was measured for the ceriated rhodium catalyst prepared by method II, over the whole temperature range investigated. This is in good agreement with IR spectroscopy data, in which mostly the adsorption of linear CO species was observed.
Data Handling and Analysis The EDE calibration was performed by using the XOP program  [46]  by comparing an EDE foil spectrum to an EXAFS foil spectrum and correcting the offset of the edge jump and multiplying the pixel number by af actor to obtain the energies. From the calibrated EDE foil, the offset and multiplication factor parameters were used to calibrate the EDE spectra collected. Data reduction was performed by using Xmult  [47]  and analysis was achieved by using as pherical wave formalism in the EXCURV98 program. [48] The R factors quoted herein were defined as R = (s[cTÀcE]kndk/[cE]kndk) 100 %, in which cT and cE were the theoretical and experimental EXAFS results, k was the photoelectron wave vector,d k was the range of photoelectron wave vectors analysed, and n was the weighting in k applied to the data.
Acknowledgements We wish to thank the  European Synchrotron Radiation Facility (ESRF)  for accesst ofacilities and to the  ESRF  and the  Engineering and PhysicalS ciences Research Council (EPSRC)  for funding this researcha nd ap ost-doctoral position ( GR/S85818/01 ), and an  EPSRC   Advanced ResearchF ellowship (  EP/E060404/1 ) to M. T. a nd as tudentship to A. B. K. (ESRF and EPSRC). We would also like to  Dr. P eter Wells  for his support during the run of experiments at the synchrotron facilities.
Anomalous diffractometer-a new prototype for detecting, at the atomic level, the local geometry of polymers As liquids have neither a periodic structure nor a completely random gaseous characteristic the detailed study of their diffraction by x-ray presents formidable difficulties, especially in the case of polymers with light components such as C, O or N. The scattering beam from such samples is not intense and is mixed with non-coherent Compton radiation. Hence the type of scattered beam from liquid-state of polymers requires a high performance diffractometer. The aim of this work was to analyse the real image of Fourier space of liquid polymers and eventually studying how liquid polymers, by cooling them, transformed to solid polymers. Obtaining precise data was essential for this study thus we used the anomalous diffractometer.
e. a full image of Fourier space. The goniometer was used at h-2h, h-h and 2h-h, scanning both in transmission and reflection geometry mode with a resolution of 0. 001u degrees. The optical system and geometrical flexibility of the goniometer was finely optimised, to reduce the deviation of observed diffraction lines from the ideal profile (the Delta function) without introducing any background, in the case of ideal crystalline material Figure  2. b-The energy window for energy calibration: The data were acquired by processing software with a prototype of lithium-drifted silicon (Li-Si) solid-state detector (500 g in weight). The detector was connected to a preamplifier and pulse processor. c-Data acquisition system: The pulse processor is a sophisticated signal-processing unit, which provides linear amplification, noise filtering, pulse-pile-up rejection and lifetime correction.
e. the Fourier space image was numerically resolved into coherent diffuse scattering curves and the selective lines. The law of conservation of intensity of the diffracted beam was applied. The intensity, I (2h) at each point of the reciprocal space (Fourier space) is the sum of the intensities scattered by two parts: the diffuse coherent scattering (Ic) and selective lines or discrete lines (Is), thus: I total 2h ð Þ~IczIs as the intensity of each point is independent of the mutual arrangement of atoms in the sample's atomic network. The Matlab (toolbox of 3860)  [5]  program was expanded for these analytical separation procedures. Briefly, these operations consisted of selecting a real point of the coherent diffuse scattering curves, (halos curve), Ic (2h), by comparing its magnitude with the mean intensity (I) of the previous points.