dataesr/scientific-paragraphs-categorization huggingface dataset:
5. The NDC behavior is due to the opposite shift of the HOMO and HOMO-1 with the applied voltage, the HOMO-1 being always pulled out from the transmission energy window at V>VP (VP=0. 7 V in this calculation), thus decreasing T(E) and the current, confirming the NDC mechanism proposed for single molecule break-junction measurements. 20 Figure  5c  shows the energy difference, Δ, between the two MOs versus the applied voltage. The simulated I-V curve is shown in Fig. 5d  with NDC peaks at +/-0. 7 V. The simulations are in good agreement with the experiments. The simulated NDC peaks are at +/-0. 7V (∼ +/-0. 5 to +/-0. 7 V in the experiments). At zero bias, the degenerate HOMO/HOMO-1 levels lie at 0. 47 -0. 49 eV below the Fermi energy, while the value deduced from the fits of the two-site model on the experimental datasets gives ε0 around 0.
Fits of the I-V curves with analytical models. The I-V curves with a NDC behavior were fitted by a two-site model. The currentvoltage behavior is given by: 20,21 the molecular orbital energy of the π-moieties with respect to the Fermi energy of the electrodes and Δ is the energy shift between the two orbitals under the application of a voltage V given by: 20 (2) with α the fraction of the applied voltage that drops inside the molecule. This parameter is evaluated by two approaches. (i) the theoretical MO splitting (extended data Fig. 5 ) is fitted with Eq. 2, given α=0. 79 and τ=10. 1 meV; (ii) considering the energy position of the degenerated HOMO/HOMO-1 theoretically calculated at 0. 47/0. 49 eV (at zero bias), we fixed ε0=0. 48 eV in Eq. 1 and fitted the I-Vs (dataset AH1, Fig. 2a ) with α as an adjustable parameter (plus Γ and τ).
We get α values between 0. 72 and 0. 88. Thus, we used α=0. 8 to fit all the I-V datasets. This value was also confirmed by simulating the voltage drop inside the MJ (Supplementary Information, section 5. 3). A similar value was reported for the MCBJ experiment. 20 The I-V curves with no NDC were fitted with a single energy level (SEL) model. This model assumes that only one molecular orbital, at an energy ε0-THz from the Fermi energy of the electrodes, contributes to the electron transport. 33, 46  (3) where Γ1 and Γ2 are the electronic coupling energies of the molecule to the two electrodes. Note that we have obtained Γ1 ≈ Γ2 (extended data Fig. 4 ), justifying the use of a single parameter Γ in Eq. (  1 ) above. All the fits were done with the routine included in ORIGIN software, using the method of least squares and the Levenberg Marquardt iteration algorithm.
For the histograms (Figs. 4d-f, Extended data Fig. 1a, 1b and 4, Figs. S9b-d, S10bc, S12b-d) of the fitted parameters with Eqs. (  1 ) and (  3 ) (see Methods in the main text), we have fitted all the I-Vs shown in the datasets (Figs. 2a, 2b, extended data   Figs. 3d-f, Figs. S8a-b, S11a-b), we have inspected all the fits and discarded those not fitting the data (bad coefficient of determination R 2 <0. 9 and fitted I-Vs not matching the data I-Vs).
Acknowledgements. We acknowledge support from the  ANR  (projet # ANR-20-CE30-0002 ). We thank  X. Wallart  ( IEMN ) for the XPS and UPS measurements,  J. F. Lampin  ( IEMN ) for the loan of the THz lasers and help for their use. The work in Mons has been funded by the  Fund for Scientific Research (FRS) of FNRS  within the  Consortium des Equipements de Calcul Intensif (CECI)  under grant  2. 5020. 11 , and by the  Walloon Region  ( ZENOBE Tier-1 supercomputer ) under grant  1117545. J. C. is an  FNRS  research director.
Extended data Fig. 2. Control experiments on OPE MJ. Current-voltage curves (10 traces) measured for a TS Au-OPE3//PtIr tip: (a) without THz irradiations, (b) under 30 THz irradiation at P=40 mW. Extended data Fig. 3. Analysis with a two-site model of the AH2 MJs. Fits of the two-site model on (a) the mean Ī-V of the TS Au-AH2//PtIr tip MJ (dataset of extended data Fig. 1) and (b-c) two typical I-V from the dataset with a marked NDC behavior. The fit parameters are: (a) ε0=0. 52 eV, Γ=205 meV, τ=3. 92 meV; (b) ε0=0. 44 eV, Γ=129 meV, τ=4. 8 meV; (c) ε0=0. 32 eV, Γ=79 meV, τ=2. 3 meV. The fits are limited between the voltage positions of the two current valleys since the monotonous increase of the background "off-resonance" current with the voltage at higher voltages is not taken into account by this model (see Methods).
(d-f) Histograms of the fit parameters obtained by fitting all individual I-V curves of the dataset (dataset of extended data Fig. 1): (d) energy of molecular orbital ε0, the red line is the fit with a gaussian distribution; (e) electrode coupling energy Γ and (f) intramolecular electronic coupling energy τ. Extended data Fig. 4. Single energy level model. (a) Fit of the SEL model (red line) on the mean Ī-V curve (AH1 junction, from Fig. 2b) with the parameters: ε0-THz=0. 47 eV, Γ1= 2. 0 meV and Γ2=1. 7 meV. (b) Histograms of the ε0-THz values from the fit of all individual I-V traces in the dataset of Fig. 2b. The histogram is fitted by a gaussian distribution with ε0-THz=0. 50±0. 09 eV. (c) Histograms of the fitted electrode coupling energies. Γ1 and Γ2 span in the range ≈ 0. 5 to 3 meV.
(d) Fit of the SEL model (red line) on the mean Ī-V curve (AH2 junction, from extended data Fig. 1) with the parameters: ε0-THz=0. 56 eV, Γ1= 0. 59 meV and Γ2=0. 61 meV. (e) Histograms of the ε0-THz values from the fit of all individual I-V traces in the dataset of Fig. 2b. The histogram is fitted by a gaussian distribution with ε0-THz=0. 56±0. 04 eV. (f) Histograms of the fitted electrode coupling energies. Γ1 and Γ2 span in the range ≈ 0. 1 to 1. 5 meV. Extended data Fig. 5. Details of the DFT and NEGF simulations. (a-k) Details of the calculated transmission probability T(E) for the Au-AH1-AU MJ from 0 to 1V, step 0. 1V. (l) Energy difference Δ between the HOMO and HOMO-1 versus the applied voltage (dark squares) and fit (red line) by Eq. 2 (see Methods) with α = 0. 79 and τ = 10. 1 meV.
Method We have used all the processed LIBS spectra acquired since the landing. Spectra have been processed with the following steps: denoise, background removal, wavelength calibration. The SuperCam/LIBS technique can predict major elements such as SiO 2 , TiO 2 , Al2O 3 , FeO, MgO, CaO, Na 2 O, and K 2 O. The quantification of the LIBS data is achieved based on multivariate models, trained on more than 1000 spectra from 334 different known samples acquired in laboratory before launch  [8] [9]. Minor elements will be quantified in the future, and for now only peak areas are used. In this study we are using images from the SuperCam instrument [10] and from the MastCam-Z and Navcam cameras  [11].
Acknowledgments High Performance Computing resources have been provided by the  EXPLOR center  hosted by the  University de Lorraine  (project  2018PMXX0420 ). AR acknowledges the support from  Lorraine Université d'Excellence  for a PhD Fellowship. We acknowledge financial support from  Partenariat Hubert Curien PROTEUS 22  and from  Slovenian Research Agency  ( ARRS research programme   P2-0249  and projects no. J2-2503  and  BI-FR/22-23-PROTEUS-006 ). This work was also supported by funding from the  European Union 's  Horizon 2020 research and innovation program  under the  Marie Skłodowska-Curie  grant agreement No. 893077  (to LR). LR thanks  Janja Dermol-Černe  for initial help with  Hodgkin-Huxley  models and  Damijan Miklavčič  for useful comments to the manuscript.
Results and discussion The time resolved photocurrent response was studied experimentally by exciting the photoswich with femtosecond laser with low-jitter pulse (Maï Taï HP of Spectra-physics), pulse width 100 fs, wavelength 780nm, repetition rate 80MHz, Two microwave signal generators were used, the first for mounting up to 3 GHz (Rhode and Schwartz SMA 100A) and the second to go up 20 GHz (Anritsu MG3692A). The output signal was collected by tektronix DSA8200 oscilloscope. Depending on the characteristics of the laser pulse, including the wavelength and spectral width length, we arrive at a dispersion of 2 ps (fiber length of 1 meter, spectral width of the pulse at 0. 8µm to 16 nm), which is much higher to the original duration of the laser pulses (200 fs). Taking the value of the injection efficiency and the data of the chromatic dispersion giving pulse duration of about 2 ps, if we take 1,1 mW through lensed fiber output, a power peak is obtained ~7 Watts.
I. INTRODUCTION here is still a great deal of interest for the development of high-power compact laser sources emitting in the near infrared (IR) spectral domain between 900 nm and 980 nm. Such laser sources can be used for core-pumping of Ytterbium-doped short fiber oscillators and amplifiers  [1] ,  [2] ,  [3]  or for specific applications in biomedicine such as twophoton microscopy  [4]. These laser sources can also give access to pure blue or blue/green wavelengths between 450 nm and 500 nm after second harmonic generation (SHG)  [5] ,  [6] , replacing bulky and inefficient Argon ion laser. The 3levels laser transition 2 F5/2 2 F7/2 of the Yb 3+ ion has already This work was supported in part by the Agence Nationale de la Recherche (NEODUV ANR-19-CE24-0029) and the Région Normandie (PICODUV Project).
With a bending radius near 5 cm, for 1 W of signal power coupled in the fiber core and 23 W of injected pump power, the amplified output power at 915 nm is 8. 4 W whereas the ASE output power at 1050 nm is limited to about 500 mW. This value of RoC that maximizes the output power at 915 nm while improving the beam quality will be referred as the optimal bending radius in the following. Propagation losses of LP01 mode at 915 nm and 1050 nm and of the first HOM LP11 at 915 nm were calculated as a function of RoC using the BPM-Matlab simulation tool  [26]. For that purpose, a 30 µm core diameter fiber with a stepindex profile (NA = 0. 045) was considered. Results are given in Fig. 2(b). By comparing the calculated losses at 915 nm relative to LP01 and LP11 modes, one can notice that for a RoC between 5 cm and 8 cm, only the LP11 mode undergoes significant losses.
For a RoC smaller than 4 cm, the output power at 915 nm starts to decrease due to excessive bending losses. In order to confirm these experimental observations, we calculated the losses induced by the bending for a LP01 mode, respectively at 915 nm and 1050 nm using BPM-Matlab simulation code (Fig. 4(c) ). These results confirm that a radius of curvature < 5 cm is necessary to induce high propagation losses (> 1dB/m) at 1050 nm. Once again, the optimal range for the RoC is very narrow and still in very good agreement with the experimental observations. As already mentioned, this fiber with a smaller core diameter allows higher bending losses at 1050 nm compared to the 30/125 LMA fiber. As for example, more than 6 dB/m losses can be achieved at 1050 nm with limited losses of 0. 5 dB/m at 915 nm.
First, we used TauREx3 (Al-Refaie et al. 2019), a Bayesian retrieval code, to rule out atmospheric scenarios. We proved that a primary clear atmosphere dominated by Hydrogen and Helium is rejected with more than 3σ for a large majority of planets in the sample. Then, we measured the amplitude of the spectra in the water absorption band (around 1. 4μm) and compared observational values to simulated ones using a self-consistent modeling code ExoREM  (Baudino et al. 2015; Charnay et al. 2018). We explored the connection between the water absorption amplitudes and the temperature by setting the stellar and planetary parameters to those of HD 3167 c (2. 7 R⊕, 8. 33 M⊕) and trying different metallicities (1, 10, 100 and 1000 x solar), cloud compositions and temperatures (300-1200K).
The shale samples were cut both perpendicular (X1) and parallel (X3) to the bedding plane for SQ-89, and parallel (X3) to the bedding plane for the other samples. The samples were first cut the samples into 1-10 mm thick chips, impregnated with epoxy resin, and further were ground and polished with silicon carbide abrasive papers of different grain sizes (mesh numbers from 50 to 2000 grit). Then, 9, 3, and 1 μm diamond suspension fluids for fine polishing were successively used  (Yang et al. , 2020a). Finally, an IM4000 argon ion mill was used to polish the sample surface for 2 h. The mean roughness (root mean square roughness, R q ) measured in two different areas (30 × 30 μm 2 ) of the shale surface with an AFM, was <100 nm  (Wang et al. , 2022c). Nanoindentation data were acquired on organic matter grains identified with the optical microscope for all the thin sections.
Atomic force microscopy measurements 2. 3. 1. Principles and test procedure Nanomechanical measurements were performed with a JPK Nano-Wizard atomic force microscope equipped with a top-view Olympus IX71 optical microscope, with a maximum magnification of 20×. The nanomechanical data was extracted from force curves obtained in the quantitative imaging (QI™) mode developed by JPK, and referred to here as QI-AFM. In the QI-AFM mode, a complete force curve for a given z length and load setpoint is measured at each scanned pixel of the image. During the acquisition of force curves, the off-resonant motion of the cantilever is linear with no lateral XY movement, which helps achieving a constant speed of the cantilever. Such tip movement ensures that no lateral forces are applied to the sample while scanning on its topographical features and is vital to obtain meaningful information about the sample's mechanical properties (Fig.
, 2020). The extend parts of the measured force-distance curves were then processed in the JPK analysis software, performing baseline correction, contact point definition, and tip-sample separation calculation. The processed force curves could be then fit with the Hertz-Sneddon elasticity model  (Hertz, 1882; Sneddon, 1965)  (full fit for force curves with the applied load set-point of 8 μN) until the sensitivity was tuned to yield the average Young's modulus of the given force map close to 18 GPa. The tip sensitivity used in the further measurements on the shale samples was the average value of the fitted sensitivities on the three acquired force maps. The fit parameters were indenter geometry with triangular pyramid of 17. 5 • angle and Poisson's ratio of both the HOPG standard and organic matter in shale was set equal to 0.
Fig. 1d  shows a representative force-distance curve from AFM test for organic matter. For each organic matter patch, we acquired ten AFM maps (Fig. 1f ). To obtain the spatially resolved Young's moduli, the force maps were then processed using the JPK software similarly to those measured on the pyrolytic graphite standard, with the calibrated tip sensitivity value as an input parameter. In the used Sneddon's modification of Hertz model of contact mechanics using JPK Data Processing software was employed  (Hertz, 1882; Sneddon, 1965). In this model, Young's modulus (E) for triangular pyramid indenter in the Hertz model is calculated by: F = 0. 745 E 1 -ν 2 h 2 tanα (4) where F is the force in nN; ν is the Poisson's ratio; h is the indentation depth in nm, and α is the half cone angle. Adhesion (pull-off force) data were obtained from the analysis of the retract part of force-distance curves by using JPK Data Processing software as the maximum negative force before the adhesive jump-out from the contact, as shown in Fig.
Acknowledgements This research was supported by the  Special Fund for the Strategic Priority Research Program   of the Chinese Academy of Sciences  (Grant  XDA14010102 ). The project was also funded by the  Njord Centre at the University of Oslo. The support provided by the  University of the Chinese Academy of Sciences  during a visit of  Dr. Jianfeng Wang  to the  University of Oslo  is acknowledged. Thanks also extend to  Prof. Yuhong Liao  for providing the shale samples. We are very grateful to Editor  Dr. Deolinda Flores ,  Dr. Aaron M. Jubb  and one anonymous reviewer for their constructive comments that significantly improve this manuscript. This is contribution No. IS-3426 from  GIGCAS.
Simulations In addition to conducting experiments, we also simulate the rover wheel traversing a bed of granular material using the Soft-Sphere Discrete Element Method (SSDEM) and the open-source code Chrono  [4, 5]. The wheel geometry is based on a simplified version of the MMX rover wheel design  [6] , and the granular bed consists of approximately 200,000 spherical particles which are 5. 5-6. 5 mm in diameter (Fig. 2 ). In the simulations, the wheel sinks into the bed under gravity and then rotates at a constant and controlled velocity. The wheel's behavior is evaluated using metrics like sinkage and slip, and its performance is compared for different types of surface materials (i. e. , different friction and cohesion levels) and different gravity levels.
Genomic trait distributions and consequences on diversity patterns. To address the distribution of genomic traits, indicative of either resistance or resilience, trait values were extrapolated from databases of close relatives for individual ASVs. This allowed us to compute community-weighted means (CWMs, i. e. mean trait values weighted for ASV relative abundances) of genomic traits in individual communities. CWMs of all genomic traits with exception of genome size changed significantly over time and independently of the disturbance regime or resource availability (Fig. 3 ; Table  1 ). These temporal dynamics were particularly evident for resilience-related traits with a pronounced increase of minimal generation times that was extrapolated from codon usage bias  (22). Likewise, a decrease of the RRN after the second experimental week.
ACKNOWLEDGMENTS This study was financed by the  German Science Foundation (DFG)  granted to SB ( BE 5937/2-1 ). ARF was supported by a scholarship from the  Chilean National Agency for Research and Development (ANID) / Scholarship Program / DOCTORADO   BECAS CHILE/2017 -72180448. GPM was supported by the doctorate scholarship program of the  Coordination for the Improvement of Higher Education Personnel (CAPES), Brazil , and the above-mentioned  DFG  funding. The bioinformatics work was supported by the  BMBF-funded de. NBI Cloud  within the  German Network for Bioinformatics Infrastructure (de. NBI)  ( 031A532B ,  031A533A ,  031A533B ,  031A534A ,  031A535A ,  031A537A ,  031A537B ,  031A537C ,  031A537D ,  031A538A ). We thank the  Service d'Observation en Milieu Littoral (SOMLIT-Banyuls-sur-Mer)  for providing data, and the facilities to collect water samples.
The codes produce rather different spectra for anything except H-like, He-like, and possibly Li-like ions. Comparison of the codes with one another and with laboratory measurements is beyond the scope of this work. Thus, our SWCX spectra can be considered "representative". The new implementation of the SWCX spectra by Koutroumpa (this volume) changes spectral details, but not to any great significance for our purposes. Kuntz et al. (2015)  used the relation between the LTE emission seen by ROSAT and the solar wind flux, as well as a mean relation between the along a ROSAT-like line of sight and the solar wind flux to construct a relation between and the ROSAT emission. Q Q 1 4 The ROSAT keV LTE data are particularly useful as they were extracted from the R12 band (roughly 0. 11-0. 284 keV) which contains a large fraction of the SWCX emission.
NQ From  Kuntz et al. (2015)  we know that the ROSAT R12 band count rate is count. For any SWCX spectrum with an arbitrary normalization, we can use the convolution of the spectrum by the ROSAT response to determine a new normalization, , that produces R12 band count. Then, the LEM spectrum can be obtained by convolving the spectrum with the LEM response and multiplying by. Thus, the overall flux is firmly anchored to ROSAT observations, while the accuracy of the individual line strengths depends upon the relative accuracy of the atomic data that was used to construct the spectrum. (ℓ, b) (λ, β) cm -2 s -1 sr -1 keV -1 The cosmic X-ray background is composed of emission due to the unabsorbed Local Hot Bubble (LHB), at least two Galactic halo components, and the unresolved cosmic background.
The lower velocities are produced by material moving more perpendicular to the line of sight. Moving the line of sight outward removes the lower velocity components. This simulation demonstrates that summing the spectrum over the whole LEM FOV would produce a very complex line feature, if we have the resolution to see it. From the OMNI database, the 75 th percentile for solar wind speed is ~490 km/s which would produce a maximum ~370 km/s along the line of sight. At the OVII(O VIII), 0. 560(0. 650) keV line, arguably the strongest SWCX lines, this velocity would produce a shift of 0. 69(0. 80) eV which is a significant fraction of an energy resolution element. Thus the center of the magnetospheric lines will be readily distinguishable from background lines due to the LHB at ~20 km/s, the flow speed of local interstellar medium.
Acknowledgments We thank all of our LEM colleagues for fruitful discussions on this subject at the last LEM workshop. We thank the referees for many helpful suggestions. D. K. acknowledges financial support from  CNES  via its  Sun-Heliosphere-Magnetosphere (SHM)  program. K. D. K. acknowledges support from  NASA  grant # 80NSSC20K1709. The  Coordinated Community Modeling Center  has provided the simulations for this work.
31 piezoelectric ring (Physics Instrument) for the Z (axial) movement (Fig. 1 ). The use of a ring allows for X-ray transmission over a large solid angle and could be easily integrated in the TwinMic standard sample holder (Fig. 2e , object 3). The excitation of the AFM probe and the detection of the associated oscillation amplitude and phase are performed using a SR830 lock-in amplifier (Stanford Research). The proportional-integrative control for AFM operation and a custom phase-locked loop (PLL) interacting with SR830 were built in a Labview program (NI) driving a USB-6341 (NI) I/O card. Indeed, since X-ray experiments are performed in a high vacuum, the Q factor of the AFM probe is high and requires the use of frequency modulation AFM mode  44  for image acquisition at a constant frequency shift, which in turn necessitates the use of a PLL to keep the phase of the AFM probe constant.
Acknowledgements We acknowledge  Elettra Sincrotrone Trieste  for the provision of synchrotron radiation facilities under proposal number  20220255. L. C. acknowledges financial support from  ANR-21-CE20-0032. The CBS is a member of the  France-BioImaging (FBI) , national infrastructure supported by the  French National Research Agency  ( ANR-10-INBS-04-01 ). B. B. acknowl-.
This paper describes the mathematical basis for analysis of vertical time-of-flight (TOF) measurements with ultracold neutrons (UCN). In contrast to conventional horizontal TOF, this enables spectroscopy of UCN incident on the chopper with kinetic energies below the neutron optical potential of the detector entrance window. Much of the treatment presented here is general, and may be applied to horizontal and vertical TOF data of stationary and time-dependent spectra. Transformation rules are given for the conversion of vertical TOF spectra into other spectra of interest, and some aspects of detection efficiency are discussed that are common to all vertical TOF measurements using detectors with entrance windows. Throughout the paper, examples are provided using experimental data from measurements at the SUN-2 prototype superthermal UCN source.