Stochastic Effects of 2D Random Arrays of Cylinders on Rarefied Gas Permeability Using the Lattice Boltzmann Method

A large set of 2D random arrays of circular cylinders is generated to perform a statistical study on rarefied gas flow through micro-porous media. The flow regimes in this work lie for Knudsen numbers (Kn) ranging from the continuum to the transition regimes. Arrays are built by randomly placing cylinders with constant diameter with a uniform distribution without overlapping, and are generated for three target porosities. Fluid flow is assumed to be incompressible and isothermal. A modified lattice Boltzmann model is adopted to account for discrete effects, with slip-velocity boundary conditions and a Kn-dependent multi-relaxation time collision operator. The apparent permeability is modeled with Darcy’s law with a Klinkenberg-type relationship and compared with existing correlations. Velocity fields highlight the increasing contribution of fluid flow through small pores with increasing Kn. Numerical results show that porous media randomness leads to an uncertainty on rarefied gas permeability calculation despite the same structural characteristics and may not strictly follow a specific correlation. The influence of a local collision operator based on a local Kn instead of a global one in the numerical model is also studied. Results show that the permeability in rarefied regimes undergoes significant deviation when applying the local collision operator compared to the global one. These differences could result from a more accurate capture of the pore-scale behavior with a local Kn. Thus, it emphasizes the sensitivity of the model and the apparent permeability calculation to the appropriate definition of Kn.

     

Astatine Facing Janus: Halogen Bonding vs. Charge-Shift Bonding

The nature of halogen-bond interactions was scrutinized from the perspective of astatine, potentially the strongest halogen-bond donor atom. In addition to its remarkable electronic properties (e.g., its higher aromaticity compared to benzene), C₆At₆ can be involved as a halogen-bond donor and acceptor. Two-component relativistic calculations and quantum chemical topology analyses were performed on C₆At₆ and its complexes as well as on their iodinated analogues for comparative purposes. The relativistic spin–orbit interaction was used as a tool to disclose the bonding patterns and the mechanisms that contribute to halogen-bond interactions. Despite the stronger polarizability of astatine, halogen bonds formed by C₆At₆ can be comparable or weaker than those of C₆I₆. This unexpected finding comes from the charge-shift bonding character of the C–At bonds. Because charge-shift bonding is connected to the Pauli repulsion between the bonding σ electrons and the σ lone-pair of astatine, it weakens the astatine electrophilicity at its σ-hole (reducing the charge transfer contribution to halogen bonding). These two antinomic characters, charge-shift bonding and halogen bonding, can result in weaker At-mediated interactions than their iodinated counterparts.     

Momentum spectra,anisotropic flow,and ideal fluids

If the matter produced in ultrarelativistic heavy-ion collisions reaches thermal equilibrium, its subsequent evolution follows the laws of ideal fluid dynamics. We show that general predictions can be made on this basis alone, irrespective of the details of the hydrodynamical model. We derive several scaling rules for momentum spectra and anisotropic flow (in particular the elliptic flow, v₂$v_2$, and the hexadecupole flow, v₄$v_4$) of identified particles. Comparison with existing data is briefly discussed, and qualitative predictions are made for LHC.     

Heuristics for multi-period capacity expansion in local telecommunications networks

In this paper, different heuristics are devised to solve a multi-period capacity expansion problem for a local access telecommunications network with a tree topology. This expansion is done by installing concentrators at the nodes and cables on the links of the network. The goal is to find a least cost capacity expansion strategy over a number of periods to satisfy the demand. A local search heuristic is first proposed to improve previously reported results on problem instances based on different cost and demand structures. This heuristic is then integrated into a genetic algorithm to obtain further improvements.     

Une démonstration simple de la fidélité de la représentation de Lawrence–Krammer–Paris

The theorem of linearity of the Artin–Tits groups of spherical type and the theorem of injectivity of any Artin–Tits monoid in its group are essentially based on the faithfulness of the Lawrence–Krammer–Paris representation restricted to the monoid. We prove this faithfulness using neither the normal forms of the elements of the monoid nor the closed subsets of the associated root system; only very elementary notions are needed.     

Carotid plaque high-resolution MRI at 3 T: evaluation of a new imaging score for symptomatic plaque assessment

Purpose

To assess the sensitivity and specificity of intra-plaque hemorrhage (IPH), large lipid-rich necrotic core (LR-NC) and ulceration or cap rupture (UCR) for symptomatic carotid plaque characterization and to evaluate a new imaging score [Hemorrhage, Ulceration or cap rupture, Lipid-rich necrotic Core (HULC) score based on the sum of presence/absence of IPH, UCR and LR-NC; range 0–3] for assessment of recently symptomatic carotid plaques.

Material and methods

Twenty-seven recently symptomatic (< 8 weeks) and 36 asymptomatic patients with a carotid plaque thicker than 2 mm were prospectively imaged on a 3-T magnetic resonance (MR) system using high-resolution, multi-contrast MR sequences. Prior to analysis, all images were reviewed to assess image quality of each sequence. Sensitivity and specificity of IPH, LR-NC, UCR and HULC scores were calculated.

Results

Fifty-one patients were analyzed (26 symptomatic carotids and 67 asymptomatic carotids) after exclusion of studies with poor image quality. Sensitivity and specificity for symptomatic carotid plaque was, respectively, 46.1% and 97% for IPH, 84.6% and 73.1% for UCR and 80.7% and 76.1% for LR-NC. A HULC score of 2 or more showed a sensitivity of 73% and a specificity of 92.5%.

Conclusion

At 3 T, intra-plaque hemorrhage is the most specific criterion to characterize symptomatic carotid plaque. The HULC score offers the best compromise between sensitivity and specificity.     

Anion-π Interaction for Molecular Recognition of Anions: Focus on Cooperativity with Hydrogen Bonding

Anion recognition represents an active area of research in supramolecular chemistry. The last two decades have been marked by spectacular advances in the design of new anion receptors. Moreover, the development of approaches combining experimental and theoretical studies has proved to be particularly relevant, allowing for a better understanding and rationalization of the phenomena involved in anion complexation processes. In this context, the combination of weak interactions within the same receptor and their synergistic effects, called cooperativity, has attracted increasing interest within the scientific community. This Review focuses on the combination of anion-π and hydrogen bonds and the emerging concept of cooperativity. The most relevant anion-π donor families are presented. The concept of cooperativity is illustrated using the most recent examples present in current literature.