Search results for "transition"
showing 10 items of 3988 documents
Tectono-metamorphic evolution of the pre-Athabasca basement within the Wollaston-Mudjatik Transition zone, Saskatchewan
2016
The Paleoproterozoic tectono-metamorphic evolution of the pre-Athabasca basement (∼1.7 Ga) within the Wollaston–Mudjatik Transition Zone (WMTZ) (Saskatchewan, Canada) has been characterized using both exposed basement and drill cores from the Wolly–McClean exploration drilling project. The finite ductile strain pattern of the WMTZ results from the superposition of two tectono-metamorphic events M1–D1 and M2–D2. M1–D1 is associated with the development of a gently dipping foliation striking N90°–N100° and a southward decrease in peak pressures from up to 10 kbar (1 kbar = 100 MPa) in the Cochrane River area down to 6 kbar in the Wolly–McClean exploration drilling project. The M2–D2 event is…
The electronic spectrum of pyrrole
1999
The electronic spectrum of pyrrole has been investigated by performing calculations using a hierarchy of coupled-cluster models consisting of CCS, CC2, CCSD, and CC3. Basis-set effects have been investigated by carrying out calculations using correlation-consistent basis sets augmented with functions especially designed for the description of Rydberg states. Oscillator strengths, excited state dipole moments, and second moments of the electronic charge distributions have been used to characterize the electronic transitions and final states. Structures and vibrational frequencies have been calculated for a few selected states, and the importance of distinguishing between vertical and adiabat…
Identity and Cultural Transition: Lessons to Learn from a Negative Case Analysis
2020
In this paper, we present a single case study of identity crisis that unfolded in the cultural transition context. Our participant was ‘Jenni’ – a 26 years old female basketball player with the dou...
Electric Vehicles and Psychology, Part 2
2021
This paper presents the main psychological attitudes influencing the transition from conventional ICEV to BEV, and it is the continuance of Electric vehicles and psychology, part 1, [1]. This part faces the range anxiety problem, the risk of explosion of batteries, the autonomous silver vehicles and the experience of driving electric vehicles. If the reader is looking for simple answers, the author does not recommend the subsequent reading, since few paradoxes will be solved.
Different scenarios of electric mobility: Current situation and possible future developments of fuel cell vehicles in Italy
2020
The diffusion of electric vehicles in Italy has started but some complications weight its spread. At present, hybrid technology is the most followed by users, due particularly to socioeconomic factors such as cost of investment and range anxiety. After a deep discussion of the Italian scenario, the aim of the paper is to recognize whether fuel cell technology may be an enabling solution to overcome pollution problems and respect for the environment. The opportunity to use fuel cells to store electric energy is quite fascinating&mdash
1,3-Dipolar cycloadditions of electrophilically activated benzonitrile N-oxides. Polar cycloaddition versus oxime formation.
2006
The reactions of electrophilically activated benzonitrile N-oxides (BNOs) toward 3-methylenephthalimidines (MPIs) have been studied using density functional theory (DFT) at the B3LYP/6-31G* level. For these reactions, two different channels allowing the formation of the [3 + 2] cycloadducts and two isomeric (E)- and (Z)-oximes have been characterized. The 1,3-dipolar cycloadditions take place along concerted but highly asynchronous transition states, while formation of the oximes is achieved through a stepwise mechanism involving zwitterionic intermediates. Both reactions are initiated by the nucleophilic attack of the methylene carbon of the MPIs to the carbon atom of the electrophilically…
Low temperature optical spectroscopy of low-spin ferric hemeproteins
1996
We report the Soret absorption spectra (500-350 nm) of the cyanomet derivatives of human hemoglobin and horse myoglobin, in the temperature range 300-20 K and in two different solvents (65% v/v glycerol-water or 65% v/v ethylene glycol-water). In order to obtain information on stereodynamic properties of active site of the two hemeproteins, we perform an analysis of the band profiles within the framework of electron-vibrations coupling. This approach enables us to single out the various contributions to the spectral bandwidth, such as those arising from non-radiative decay of the excited electronic state (homogeneous broadening) and from the coupling of the electronic transition i) with hig…
Model calculations for wetting transitions in polymer mixtures
1985
Partially compatible binary mixtures of linear flexible polymers are considered in the presence of a wall which preferentially adsorbs one component. Using a Flory-Huggins type mean field approach, it is shown that in typical cases at two-phase coexistence the wall is always « wet », i.e. coated with a macroscopically thick layer of the preferred phase, and the transition to the non wet state occurs at volume fractions of the order of 1/~N (where N is the chain length) at the coexistence curve. Both first and second order wetting transitions are found, and the variation of the surface layer thickness, surface excess energy and related quantities through the transition is studied. We discuss…
Nucleation pathway and kinetics of phase-separating active Brownian particles
2016
Suspensions of purely repulsive but self-propelled Brownian particles might undergo phase separation, a phenomenon that strongly resembles the phase separation of passive particles with attractions. Here we employ computer simulations to study the nucleation kinetics and the microscopic pathway active Brownian disks take in two dimensions when quenched from the homogeneous suspension to propulsion speeds beyond the binodal. We find the same qualitative behavior for the nucleation rate as a function of density as for a passive suspension undergoing liquid-vapor separation, suggesting that the scenario of an effective free energy also extends to the kinetics of phase separation. We study the …
Finite Size Effects in Thin Film Simulations
2003
Phase transitions in thin films are discussed, with an emphasis on Ising-type systems (liquid-gas transition in slit-like pores, unmixing transition in thin films, orderdisorder transitions on thin magnetic films, etc.) The typical simulation geometry then is a L xL x D system, where at the low confining L x L surfaces appropriate boundary “fields” are applied, while in the lateral directions periodic boundary conditions are used. In the z-direction normal to the film, the order parameter always is inhomogeneous, due to the boundary “fields” at the confining surfaces. When one varies the temperature T from the region of the bulk disordered phase to a temperature below the critical temperatu…