Domino mechanisms in photoinduced phase transitions

Photoinduced structural phase transitions via excited electronic states are discussed theoretically using a one-dimensional model composed of localized electrons and lattices under the adiabatic or diabatic approximation. We show that the global structural change by photoexcitation only at a site is possible, and we clarify conditions for the occurrence of such phenomena. Spatiotemporal dynamics of nonequilibrium first-order phase transitions is also investigated in detail in terms of photoinduced nucleations and domino processes of the domain boundaries (domain walls), which are in striking contrast to the mean-field dynamics. In the adiabatic regime, after the spontaneous emission of a photon, an initial local structural change (i) remains locally, (ii) induces cooperatively a global structural change, or (iii) disappears and returns to the initial phase. Dynamical features of the case (ii) are characterized by the deterministic (semichaotic) domino process; domain walls between the two phases move determinis-tically at a constant velocity (with changing speed) without further spontaneous emissions in the case of strong (weak) dissipation. In the diabatic regime, similar three types of structural change exist. The domain-wall dynamics is described as the stochastic domino process, which is accompanied by the successive radiative transitions. A new theoretical treatment is also proposed to study crossover between the adiabatic and diabatic regimes.     

Indirect determination of chemical shift by coupling evolution during adiabatic pulses

The use of adiabatic 180 degrees X-pulses within INEPT refocusing periods results in chemical shift-dependent evolution of J-couplings. This has been viewed as a disadvantage and several methods of overcoming it have been suggested. This article shows that there is the potential to use this chemical shift dependence to determine heteronuclear chemical shift without a heteronuclear evolution time. In this way, it possible to estimate heteronuclear chemical shift indirectly from a single one-dimensional proton-observe spectrum and determine it with high accuracy from a extensively-folded two-dimensional proton-observe spectrum.     

Observation and assignment of the first photoelectron band of the CH3CO (XA) radical

HeI photoelectron spectra have been recorded for the reaction of fluorine atoms with acetaldehyde at different reaction times. A structured band associated with a short-lived primary reaction product was recorded at a reactant mixing distance of 6 mm above the photon beam. The vertical ionization energy was measured as (8.39 ± 0.05 eV), and regularly spaced vibrational structure was observed in this band with an average vibrational separation of (1605 ± 30 cm⁻¹). The band was assigned to ionization of the CH₃CO (X²A) radical on the basis of first vertical ionization energies computed for the two possible primary products, CH₃CO and CH₂CHO, using ab-initio calculations. The calculations carried out on CH₃CO (X²A), and its singlet ground cationic state, revealed that the observed vibrational structure can be assigned to excitation of the CO stretching mode in the ion. The measured adiabatic ionization energy, 7.21 ± 0.05 eV, is higher than the value expected (6.94 ± 0.03 eV) from evidence in the literature and calculated values in this work. This difference is assigned to poor Franck–Condon factors in the region of the band onset which means that the true adiabatic ionization energy was not observed.     

用A238U超核聚变检验裂变机制的可行性探讨

超核_A²³⁸U的裂变的剪断过程,用不断上升的势垒模拟,对不同的剪断过程(恒速或加速),对A末态激发几率(布居于轻裂块的几率)作了计算,分别为27%或31%。有待实验检验。     

Adiabatic transfer of atomic level-occupation probability induced by Kerr-like medium

In this paper we study the transition of a three-level atom in Ξ configuration interacting with a far detuning, two-mode pair-coherent states field in a Kerr-like medium. In the case that the individual field modes are sufficiently detuned from the intermediate atomic level, which is therefore not occupied essentially in the absence of the Kerr-like medium, the atomic occupation state will shift gradually from the highest level to the intermediate one with increasing coupling between field and medium. This new phenomenon which has not yet been reported is called the electronic adiabatic transition transfer. A possible experimental test of the new effect is proposed.     

Coherent transfer by adiabatic passage in two-dimensional lattices

Coherent tunneling by adiabatic passage (CTAP) is a well-established technique for robust spatial transport of quantum particles in linear chains. Here we introduce two exactly-solvable models where the CTAP protocol can be extended to two-dimensional lattice geometries. Such bi-dimensional lattice models are synthesized from time-dependent second-quantization Hamiltonians, in which the bosonic field operators evolve adiabatically like in an ordinary three-level CTAP scheme thus ensuring adiabatic passage in Fock space.     

Adiabatic shear banding and scaling laws in chip formation with application to cutting of Ti–6Al–4V

The phenomenon of adiabatic shear banding is analyzed theoretically in the context of metal cutting. The mechanisms of material weakening that are accounted for are (i) thermal softening and (ii) material failure related to a critical value of the accumulated plastic strain. Orthogonal cutting is viewed as a unique configuration where adiabatic shear bands can be experimentally produced under well controlled loading conditions by individually tuning the cutting speed, the feed (uncut chip thickness) and the tool geometry. The role of cutting conditions on adiabatic shear banding and chip serration is investigated by combining finite element calculations and analytical modeling. This leads to the characterization and classification of different regimes of shear banding and the determination of scaling laws which involve dimensionless parameters representative of thermal and inertia effects. The analysis gives new insights into the physical aspects of plastic flow instability in chip formation. The originality with respect to classical works on adiabatic shear banding stems from the various facets of cutting conditions that influence shear banding and from the specific role exercised by convective flow on the evolution of shear bands. Shear bands are generated at the tool tip and propagate towards the chip free surface. They grow within the chip formation region while being convected away by chip flow. It is shown that important changes in the mechanism of shear banding take place when the characteristic time of shear band propagation becomes equal to a characteristic convection time. Application to Ti–6Al–4V titanium are considered and theoretical predictions are compared to available experimental data in a wide range of cutting speeds and feeds. The fundamental knowledge developed in this work is thought to be useful not only for the understanding of metal cutting processes but also, by analogy, to similar problems where convective flow is also interfering with adiabatic shear banding as in impact mechanics and perforation processes. In that perspective, cutting speeds higher than those usually encountered in machining operations have been also explored.     

Transient dynamics of an adiabatic NEMS

This paper is focused on the transient dynamics of an adiabatic nano‐electromechanical system (NEMS), consisting of a nano‐mechanical oscillator coupled to a quantum dot. By numerically solving the nonlinear stochastic differential equation governing the oscillator, the time evolution of the oscillator position, of the dot occupation number and of the current are studied. Different parameter settings are studied where the system exhibits bi‐stable, tri‐stable or mono‐stable behavior on a finite‐time horizon. It is shown that, after a typically long transient, the system under investigation exhibits no hysteretic behavior and that a unique steady state is reached, independently of the initial conditions. The transient dynamics is marked out by one or two well separated characteristic times, depending on the considered case (i.e., mono‐ or multi‐stable). These times are evaluated for a dot on‐resonance or off‐resonance. It turns out that the characteristic time scales are long in comparison to the period of the uncoupled oscillator, particularly at low bias, suggesting that the predicted transient dynamics may be observed in state‐of‐the‐art experimental setups.

     

On the energetics of transversal and longitudinal fluctuations of atomic magnetic moments

By constrained spin-density functional calculations we estimate the relative role of the longitudinal and transversal fluctuations of the magnetic moments in the series of 3d metals (bcc Fe, hcp and fcc Co, and fcc Ni) for weak excitations from the ferromagnetic ground state. It is shown that the importance of longitudinal fluctuations strongly varies from relatively small in bcc Fe to large in fcc Ni. This means that a consistent adiabatic treatment of the low-energy spin fluctuations should include independent longitudinal fluctuations.