Search results for "Diabatic"
showing 10 items of 303 documents
Reinforcement learning approach to nonequilibrium quantum thermodynamics
2021
We use a reinforcement learning approach to reduce entropy production in a closed quantum system brought out of equilibrium. Our strategy makes use of an external control Hamiltonian and a policy gradient technique. Our approach bears no dependence on the quantitative tool chosen to characterize the degree of thermodynamic irreversibility induced by the dynamical process being considered, require little knowledge of the dynamics itself and does not need the tracking of the quantum state of the system during the evolution, thus embodying an experimentally non-demanding approach to the control of non-equilibrium quantum thermodynamics. We successfully apply our methods to the case of single- …
Gel combustion synthesis and magnetic properties of CoFe2O4, ZnFe2O4, and MgFe2O4 using 6-aminohexanoic acid as a new fuel
2020
Abstract For the first time, 6-aminohexanoic acid is used as an alternative fuel in the synthesis of the spinel ferrites with compositions CoFe2O4, ZnFe2O4 and MgFe2O4 using gel combustion synthesis with different oxidizer-to-fuel (O/F) ratios. The gel precursors were studied by differential thermal analysis and thermogravimetry (DTA/TG), which showed that the ignition temperature depends on the gel precursor, being around 230 °C, 130 °C and 275 °C for CoFe2O4, ZnFe2O4, and MgFe2O4, respectively. These results showed than the 6-aminohexanoic acid has an ignition temperature lower than the urea and the citric acid when were used in the synthesis of the spinel ferrites by gel combustion. More…
Interface evolution during magnetic pulse welding under extremely high strain rate collision: mechanisms, thermomechanical kinetics and consequences
2020
Abstract Magnetic pulse welding enables to produce perplexing interfacial morphologies due to the complex material response during the high strain rate collision. Thus, a thermomechanical model is used in this study to investigate the formation mechanism of the wake, vortex, swirling and mesoscale cavities with the increase of the impact intensity at the interface. The formation of these interfacial features are difficult to characterize by insitu methods, thus the origin of phenomena still remain a subject of open discussion. Our studies identify the governing mechanisms and the associated thermomechanical kinetics, which are responsible for the formation mechanism of interfacial features.…
Laser control in open molecular systems: STIRAP and Optimal Control
2007
We examine the effect of dissipation on the laser control of a process that transforms a state into a superposed state. We consider a two-dimensional double well of a single potential energy surface. In the context of reactivity, the objective of the control is the localization in a given well, for instance the creation of an enantiomeric form whereas for quantum gates, this control corresponds to one of the transformation of the Hadamard gate. The environment is either modelled by coupling few harmonic oscillators (up to five) to the system or by an effective interaction with an Ohmic bath. In the discrete case, dynamics is carried out exactly by using the coupled harmonic adiabatic channe…
A quantum dynamics study of the benzopyran ring opening guided by laser pulses
2014
Abstract The ring-opening photoisomerization of benzopyran, which occurs via a photochemical route involving a conical intersection, has been studied with quantum dynamics calculations using the multi-configuration time-dependent Hartree method (MCTDH). We introduce a mechanistic strategy to control the conversion of benzopyran to merocyanine with laser pulses. We use a six-dimensional model developed in a previous work for the potential energy surfaces (PES) based on an extension of the vibronic-coupling Hamiltonian model (diabatization method by ansatz), which depends on the most active degrees of freedom. The main objective of these quantum dynamics simulations is to provide a set of str…
Full-dimensional control of the radiationless decay in pyrazine using the dynamic Stark effect
2014
We present a full quantum-mechanical study of the laser control of the radiationless decay between the B3u(nπ(*)) and B2u(ππ(*)) states of pyrazine using the dynamic Stark effect. In contrast to our previous study [Sala et al., J. Chem. Phys. 140, 194309 (2014)], where a four-dimensional model was used, all the 24 degrees of freedom are now included in order to test the robustness of the strategy of control. Using a vibronic coupling Hamiltonian model in a diabatic representation, the multi-layer version of the multi-configuration time-dependent Hartree method is exploited to propagate the corresponding wave packets. We still observe a trapping of the wavepacket on the B2u(ππ(*)) potential …
Enhanced alignment and orientation of polar molecules by vibrational resonant adiabatic passage
2007
The authors show that polar molecules can be adiabatically aligned and oriented by laser pulses more efficiently when the laser frequencies are vibrationally resonant. The aligned molecules are found in a superposition of vibrational pendular states, each associated with the alignment of the rotor in one vibrational state. The authors construct the dressed potential associated with this mechanism. Values of detunings and field amplitudes are given to optimize the degree of alignment and orientation for the CO molecule.
Deep XMM-Newton Observations Reveal the Origin of Recombining Plasma in the Supernova Remnant W44
2019
Recent X-ray studies revealed over-ionized recombining plasmas (RPs) in a dozen mixed-morphology (MM) supernova remnants (SNRs). However, the physical process of the over-ionization has not been fully understood yet. Here we report on spatially resolved spectroscopy of X-ray emission from W44, one of the over-ionized MM-SNRs, using XMM-Newton data from deep observations, aiming to clarify the physical origin of the over-ionization. We find that combination of low electron temperature and low recombination timescale is achieved in the region interacting with dense molecular clouds. Moreover, a clear anti-correlation between the electron temperature and the recombining timescale is obtained f…
Comparison of IAGOS in-situ water vapour measurements and ECMWF ERA-Interim Reanalysis data
2019
Abstract. Cirrus clouds and their potential formation regions, so-called ice-supersaturated regions (ISSRs) occur frequently in the tropopause region. It is assumed that ISSRs and cirrus clouds can change the tropopause structure by diabatic processes, driven by latent heating due to phase transition and interaction with radiation. For many research questions a three-dimensional picture including a sufficient temporal resolution of the water vapour fields in the tropopause region is required. This requirement is fulfilled nowadays by reanalysis products such as the European Centre for Medium-Range Weather Forecasts (ECMWF) ERA-Interim reanalysis. However, for a meaningful investigation of w…
A process-based anatomy of Mediterranean cyclones: from baroclinic lows to tropical-like systems
2021
Abstract. In this study, we address the question of the atmospheric processes that turn Mediterranean cyclones into severe storms. Our approach applies on-line potential vorticity (PV) budget diagnostics and piecewise PV inversion to WRF model simulations of the mature stage of 100 intense Mediterranean cyclones. We quantify the relative contributions of different processes to cyclone development and therefore deliver, for the first time, a comprehensive insight into the variety of cyclonic systems that develop in the Mediterranean from the perspective of cyclone dynamics. In particular, we show that all 100 cyclones are systematically influenced by two main PV anomalies: a major anomaly in…