Imidazolyl Alanes - Synthesis, Structures, and Reactivity Studies – Imidazolyl Alanes - Synthesis, Structures, and Reactivity Studies

Targeting the synthesis of Al/C based ambiphilic molecules, we investigated the dehydrohalogenation of a series of (benz)imidazole alane adducts. Depending on the steric bulk of the heterocycle, different dimeric products with various ring sizes were obtained. Dehydrohalogenation of the adduct of 1‐mesityl imidazole ($^{Mes}$Im) and 0.5 [tBu$_{2}$AlBr]$_{2}$ furnished the dimer 2, featuring a “classical” N‐heterocyclic carbene (NHC) and a mesoionic or “abnormal” NHC (aNHC) subunit within a single molecule. The dimer is bound loosely enough to allow thermally induced isomerization of 2 into the isomers 2$^{NHC}$ (all NHC) and 2$^{aNHC}$ (all aNHC). Dehydrohalogenation of the adduct of 1‐mesityl‐2‐methyl imidazole ($^{Mes}$Im$^{Me}$) and 0.5 [tBu$_{2}$AlBr]$_{2}$ (4) yielded the dimeric compound 5 consisting of two N‐heterocyclic olefin (NHO) subunits. Although these six‐ and eight‐membered heterocycles show no FLP‐type reactivity towards small molecules like H$_{2}$, CO or CO$_{2}$, we observed an ambiphilic behavior of the imidazolyl alanes during our studies. Salt metathesis reactions using $^{Mes}$Im resulted in the formation of 3, which can be viewed as tBu$_{2}$AlBr adduct of an Al/N ambiphile. Utilizing heterocycles such as benzimidazole or spiroindole provided the entry point to C–H (7, 9) and N–H (10) activation products, most likely resulting from a reactivity of intermediate species as Al/C ambiphiles

Characterization of defect structures in nanocrystalline materials by X-ray line profile analysis

X-ray line profile analysis is a powerful alternative tool for determining dislocation densities, dislocation type, crystallite and subgrain size and size-distributions, and planar defects, especially the frequency of twin boundaries and stacking faults. The method is especially useful in the case of submicron grain size or nanocrystalline materials, where X-ray line broadening is a well pronounced effect, and the observation of defects with very large density is often not easy by transmission electron microscopy. The fundamentals of X-ray line broadening are summarized in terms of the different qualitative breadth methods, and the more sophisticated and more quantitative whole pattern fitting procedures. The efficiency and practical use of X-ray line profile analysis is shown by discussing its applications to metallic, ceramic, diamond-like and polymer nanomaterials

Inertial domain wall characterization in layered multisublattice antiferromagnets

The motion of a Neel-like 180 degrees domain wall induced by a time-dependent staggered spin-orbit field in the layered collinear antiferromagnet Mn2Au is explored. Through an effective version of the two sublattice nonlinear a-model which does not take into account the antiferromagnetic exchange interaction directed along the tetragonal c-axis, it is possible to replicate accurately the relativistic and inertial traces intrinsic to the magnetic texture dynamics obtained through atomistic spin dynamics simulations for quasistatic processes. In the case in which the steady-state magnetic soliton motion is extinguished due to the abrupt shutdown of the external stimulus, its stored relativistic exchange energy is transformed into a complex translational mobility, being the rigid domain wall profile approximation no longer suitable. Although it is not feasible to carry out a detailed follow-up of its temporal evolution in this case, it is possible to predict the inertial-based distance travelled by the domain wall in relation to its steady-state relativistic mass. This exhaustive dynamical characterization for different time-dependent regimes of the driving force is of potential interest in antiferromagnetic domain wall-based device applications.R.R.-E., K.Y.G., and R.M.O. thanks O. Chubykalo-Fesenko, S. Khmelevskyi, A. A. Sapozhnik, M. Jourdan, A. K. Zvezdin, and B. A. Ivanov for the fruitful discussions that have helped us to improve this manuscript. The work of R.M.O. and K.Y.G. was partially supported by the STSM Grants from the COST Action CA17123 "Ultrafast opto-magneto-electronics for non-dissipative information technology''. K.Y.G. acknowledges support by IKERBASQUE (the Basque Foundation for Science) and the Spanish Ministry of Science and Innovation under grant PID2019-108075RB-C33/AEI/10.13039/501100011033

THE HIGH CADENCE TRANSIENT SURVEY (HITS). I. SURVEY DESIGN AND SUPERNOVA SHOCK BREAKOUT CONSTRAINTS

Indexación: Web of Science; Scopus.We present the first results of the High Cadence Transient Survey (HiTS), a survey for which the objective is to detect and follow-up optical transients with characteristic timescales from hours to days, especially the earliest hours of supernova (SN) explosions. HiTS uses the Dark Energy Camera and a custom pipeline for image subtraction, candidate filtering and candidate visualization, which runs in real-time to be able to react rapidly to the new transients. We discuss the survey design, the technical challenges associated with the real-time analysis of these large volumes of data and our first results. In our 2013, 2014, and 2015 campaigns, we detected more than 120 young SN candidates, but we did not find a clear signature from the short-lived SN shock breakouts (SBOs) originating after the core collapse of red supergiant stars, which was the initial science aim of this survey. Using the empirical distribution of limiting magnitudes from our observational campaigns, we measured the expected recovery fraction of randomly injected SN light curves, which included SBO optical peaks produced with models from Tominaga et al. (2011) and Nakar & Sari (2010). From this analysis, we cannot rule out the models from Tominaga et al. (2011) under any reasonable distributions of progenitor masses, but we can marginally rule out the brighter and longer-lived SBO models from Nakar & Sari (2010) under our best-guess distribution of progenitor masses. Finally, we highlight the implications of this work for future massive data sets produced by astronomical observatories, such as LSST.http://iopscience.iop.org/article/10.3847/0004-637X/832/2/155/meta;jsessionid=76BDFFFE378003616F6DBA56A9225673.c4.iopscience.cld.iop.or

New variable separation approach: application to nonlinear diffusion equations

The concept of the derivative-dependent functional separable solution, as a generalization to the functional separable solution, is proposed. As an application, it is used to discuss the generalized nonlinear diffusion equations based on the generalized conditional symmetry approach. As a consequence, a complete list of canonical forms for such equations which admit the derivative-dependent functional separable solutions is obtained and some exact solutions to the resulting equations are described.Comment: 19 pages, 2 fig

Coupling an SPH-based solver with an FEA structural solver to simulate free surface flows interacting with flexible structures

This work proposes a two-way coupling between a Smoothed Particle Hydrodynamics (SPH) model-based named DualSPHysics and a Finite Element Analysis (FEA) method to solve fluid–structure interaction (FSI). Aiming at having a computationally efficient solution via spatial adjustable resolutions for the two phases, the SPH-FEA coupling herein presented implements the Euler–Bernoulli beam model, based on a simplified model that incorporates axial and flexural deformations, to introduce a solid solver in the DualSPHysics framework. This approach is particularly functional and very precise for slender beam elements undergoing large displacements, and large deformations can also be experienced by the structural elements due to the non-linear FEA implementation via a co-rotational formulation. In this two-way coupling, the structure is discretised in the SPH domain using boundary particles on which the forces exerted by fluid phases are computed. Such forces are passed over to the FEA structural solver that updates the beam shape and, finally, the particle positions are subsequently reshuffled to represent the deformed shape at each time step. The SPH-FEA coupling is validated against four reference cases, which prove the model to be as accurate as other approaches presented in literature.Ministerio de Ciencia e Innovación | Ref. PID2020-113245RB-I00Ministerio de Ciencia e Innovación | Ref. TED2021-129479A-I00Xunta de Galicia | Ref. ED431C 2021/44Xunta de Galicia | Ref. ED481A-2021/337Universidade de Vigo/CISU