Direct observation of knock-on reaction with umbrella inversion arising from zero-impact-parameter collision at a surface

In Surface-Aligned-Reactions (SAR), the degrees of freedom of chemical reactions are restricted and therefore the reaction outcome is selected. Using the inherent corrugation of a Cu(110) substrate the adsorbate molecules can be positioned and aligned and the impact parameter, the collision miss-distance, can be chosen. Here, substitution reaction for a zero impact parameter collision gives an outcome which resembles the classic Newton’s cradle in which an incident mass ‘knocks-on’ the same mass in the collision partner, here F + CF3 → (CF3)′ + (F)′ at a copper surface. The mechanism of knock-on was shown by Scanning Tunnelling Microscopy to involve reversal of the CF3 umbrella as in Walden inversion, with ejection of (F)′ product along the continuation of the F-reagent direction of motion, in collinear reaction.

Towards a dTDLAS-Based Spectrometer for Absolute HCl Measurements in Combustion Flue Gases and a Better Evaluation of Thermal Boundary Layer Effects

This work presents a mid-IR direct tunable diode laser absorption spectroscopy (dTDLAS)-based HCl spectrometer, which is specially designed and optimized to measure HCl concentration in combustion exhaust gas matrices (i.e. elevated gas temperatures, high water vapour and CO2 contents). The work is motivated by (legal) requirements for monitoring combustion emissions from large-scale power stations or biomass burning domestic boilers. In our novel dTDLAS HCl spectrometer we use a low power room temperature mid-IR ICL diode laser to access the HCl P5 line at 2775.76 cm−1 in the 1-0 vibrational band which was especially selected for gas matrixes with high CO2 and H2O admixtures. With this set-up we demonstrate at 77 cm path length, total pressure from 320 hPa to 954 hPa, room temperature and at 110 s of signal averaging an optimal precision of 0.17 µmol/mol (ppm). Gas monitoring in combustion applications and elevated gas temperatures are prone to systematic errors caused by spectroscopic falsifications in colder gas boundary layers (BL) unavoidable in the high temperature gas ducts. These BL lead, e.g. to temperature, matrix composition or target gas concentration gradients near walls, which also influence the spectroscopic raw signal via their temperature and collision partner dependence. Depending on the chosen spectral line these can cause significant systematic deviations in in-situ, line-of-sight (LOS) laser spectrometers. For an improved understanding of the quantitative effects of thermal BL on our LOS HCl dTDLAS spectrometer and better representing real BL, we expanded our spectroscopic BL simulation model to allow for continuous (linear) instead of the previous stepwise changes. From the new simulation results, we deduce systematic relative deviations in the extracted HCl-concentration to be up to 10% depending on the magnitude of the BL changes and the choice of the “representative” single temperature measurement. With this simulation model, a user can now derive the system’s systematic deviation based on assumptions on the present temperature gradients. The model also helps the user to choose the gas temperature measurement location in his process, in order to minimize the spatial heterogeneity effects.

Collisional polarization of molecular ions: a signpost of ambipolar diffusion

Magnetic fields play a role in the dynamics of many astrophysical processes, but they are hard to detect. In a partially ionized plasma, a magnetic field works directly on the ionized medium but not on the neutral medium, which gives rise to a velocity drift between them: ambipolar diffusion. This process is suggested to be important in the process of star formation, but has never been directly observed. We introduce a method that could be used to detect ambipolar diffusion and the magnetic field that gives rise to it, where we exploit the velocity drift between the charged and neutral medium. By using a representative classical model of the collision dynamics, we show that molecular ions partially align themselves when a velocity drift is present between the molecular ion and its main collision partner H2. We demonstrate that ambipolar diffusion potently aligns molecular ions in regions denser than their critical density. We include a model for HCO+ and show that collisional polarization could be detectable for the ambipolar drifts predicted by numerical simulations of the inner protostellar disk regions. The polarization vectors are aligned perpendicular to the magnetic field direction projected on the plane of the sky.

Fully Correlated Stochastic Inter-Particle Collision Model for Euler–Lagrange Gas–Solid Flows

In Lagrangian stochastic collision models, a fictitious particle is generated to act as a collision partner, with a velocity correlated to the velocity of the real colliding particle. However, most often, the fluid velocity seen by this fictitious particles is not accounted for in the generation of the fictitious particle velocity, leading to a de-correlation between the fictitious particle velocity and the local fluid velocity, which, after collision, leads to an unrealistic de-correlation of the real particle velocity and the fluid velocity as seen by the particle. This de-correlation, in turn, causes a spurious decrease of the particle kinetic energy, even though the collisions are assumed perfectly elastic. In this paper, we propose a new model in which the generated fictitious particle velocity is correctly correlated to both the real particle velocity and the local fluid velocity at the particle, hence preventing the spurious loss of the total particle kinetic energy. The model is suitable for small inertial particles. Two algorithms for integrating the collision frequency are also compared to each other. The models are validated using large eddy simulation (LES) of mono-dispersed particle-laden stationary homogeneous isotropic turbulence. Simulations are conducted with spherical particles with different turbulent Stokes number, $$St_t = [0.75 - 5.8]$$ S t t = [ 0.75 - 5.8 ] , and volume fractions, $$\alpha _p = [0.014 - 0.044]$$ α p = [ 0.014 - 0.044 ] , and are compared to the results of the LES using a deterministic discrete particle simulation model.

Video Analysis of Concussion Exposures in a National Collegiate Athletic Association Division I Football Team

Background: Research into improving player safety of sport-related concussion (SRC) in American football has been an ongoing endeavor. In an attempt to better understand the incidence of SRCs in American football, research has focused on the characteristics of SRC during gameplay. Determining SRC specifics and assessing them quantitatively can help identify high-risk scenarios and predict exposure risk. Purpose: To identify and assess the incidence of SRCs in a National Collegiate Athletic Association football team by comparing field location, player positions, collision partners, and player cues. Study Design: Descriptive epidemiology study. Methods: We used physician sideline reports of diagnosed concussions from a Division I football team from September 2010 to December 2018. Game videos were analyzed to identify the field location where the SRC occurred, collision partner, and player behavior postconcussion. The incidence of in-game SRCs by position was also assessed. We used the “words of estimative probability” model to categorize each concussion as certain, almost certain, probable, or even on the basis of our confidence in identifying them using game film. Results: This study examined 44 SRCs that occurred over 9 seasons. The SRC incidence was significantly higher in the middle defense (5-20 yards from the line of scrimmage) compared with all other field locations (relative risk, 2.46; 95% CI, 1.14-5.29; P < .05). In-game collision partners were most commonly defensive backs. The most common player cue was a hand to helmet/face mask. The positions with the highest SRC incidence by athlete-exposure, game position, and position play belonged to the defensive backs, wide receivers, and running backs. Conclusion: The middle defense had a significantly higher incidence of SRCs than all other field locations. We pose a new method to categorize concussions during video analysis by using words of estimative probability. Knowledge of SRC gameplay characteristics can potentially guide the medical staff and medical observer to better identify them.

PROBING PRE-FORMED ALPHA PARTICLES IN THE GROUND STATE OF NUCLEI

In this proceeding we report on alpha particle emission through the nuclear break-up in the reaction 40 Ca on a 40 Ca target at 50A MeV. It is observed that alpha particles are emitted to the continuum with very specific angular distribution during the reaction. The alpha particle properties seem to be compatible with an alpha cluster in the daughter nucleus that is perturbed by the short range nuclear attraction of the collision partner and emitted as described by a time-dependent theory. This mechanism offers new possibilities to study alpha particle properties in the nuclear medium.