The instability of dust acoustic waves in inhomogeneous dusty plasmas with non-adiabatic dust charge fluctuation

This paper investigates the propagation of linear dust acoustic waves in inhomogeneous dusty plasmas due to spatial gradients of dust charge, plasma densities. A linear dispersion relation is obtained with the non-adiabatic dust charge iguctuation and the non-thermally distributed ions. The numerical results show that the inhomogeneity, nonthermal ions and non-adlabatic dust charge iguctuatlon have strong iniguence on the frequency and the damping rate of waves.

Non-adiabatic quantum dynamical studies of Na(3p) + HD(v = 1, j5) = 0)→NaH/NaD + D/H reaction

Non-adiabatic dynamical calculations are carried out for the Na(3 p)+HD(ν = 1, j = 0)→NaH/NaD+D/H reaction on the diabatic potential energy surfaces of Wang et al.(Sci. Rep. 2018, 8, 17960) by using the time-dependent wave packet method. The state-to-state integral cross sections and differential cross sections of two reaction channels(NaH/NaD+D/H)are calculated for collision energy up to 0.4 eV. The cross section branching ratio indicates that the dominant reaction channel changes from NaD+H to NaH+D when the collision energy is larger than 0.227 eV. The products from two reaction channels both prefer to form in vibrationally cold but rotationally hot states, and they both tend to forward scattering.

Non-Adiabatic Molecular Dynamics Simulations of Non-Charge-Transfer and Charge-Transfer Scattering in H^++CO2 at ELab=30 eV

The H^++CO2 reaction at high energies is relevant in atmospheric chemistry,astrophysics,and proton cancer therapy research.Therefore,we present herein a complete investigation of H^++CO2 at ELab=30 eV with the simplest-level electron nuclear dynamics(SLEND)method.SLEND describes nuclei via classical mechanics and electrons with a singledeterminantal Thouless wavefunction.The 3402 SLEND conducted simulations from 42 independent CO2 target orientations provide a full description of all the reactive processes and their mechanisms in this system:non-charge-transfer scattering(NCTS),charge-transfer scattering(CTS),and single C=O bond dissociation;all this valuable information about reactivity is not accessible experimentally.Numerous details of the projectile scattering patterns are provided,including the appearance and coalescence of primary and secondary rainbow angles as a function of the target orientation.SLEND NCTS and CTS differential cross sections(DCSs)are evaluated in conjunction with advanced semi-classical techniques.SLEND NCTS DCS agrees well with its experimental counterpart at all the measured scattering angles,whereas SLEND CTS DCS agrees well at high scattering angles but less satisfactorily at lower ones.Remarkably,both NCTS and CTS SLEND DCSs predict the primary rainbow angle signatures in agreement with the experiment.

Non-adiabatic State and Heat Energy Release in the Interior of the Earth

The latest results from the earth sciences indicated that the movement of the earth surface substances has a close relationship with the energy exchanges on large scale occurred in the margin between the core and mantle. There is a tendency towards the average temperature evolution of the earth dynamic system from higher to lower on the whole. And more and more evidence showed that the interior of the earth is in a non-adiabatic state, the cooling process occurred in the interior exerted a great influence on the surface environment. The development of the heat energy resources from the interior of the earth would result in the long term accelerating cooling though it may increase the surface temperature temporarily.

Quantum dynamics studies on the non-adiabatic effects of H+LiD reaction

After the Big Bang,chemical reactions of hydrogen with LiH and its isotopic variants played an important role in the late stage of recombination.Moreover,these reactions have attracted the attention of experts in the field of molecular dynamics because of its simple structure.Electronically non-adiabatic effects play a key role in many chemical reactions,while the related studies in LiH2 reactive system and its isotopic variants are not enough,so the microscopic mechanism of this system has not been fully explored.In this work,the microscopic mechanism of H+LiD reaction are performed by comparing both the adiabatic and non-adiabatic results to study the non-adiabatic effects.The reactivity of R1(H+LiD→Li+HD)channel is inhibited,while that of R2(H+LiD→D+LiH)channel is enhanced when the non-adiabatic couplings are considered.For R1 channel,a direct stripping process dominates this channel and the main reaction mechanism is not influenced by the non-adiabatic effects.For R2 channel,at relatively low collision energy,the dominance changes from a rebound process to the complex-forming mechanism when the non-adiabatic effects are considered,whereas the rebound collision approach still dominates the reaction at relatively high collision energy in both calculations.The presented results provide a basis for further detailed study on this importantly astrophysical reaction system.

Contribution of patchy reconnection to the ion-to-electron temperature ratio in the Earth’s magnetotail

The ion-to-electron temperature ratio is a good indicator of the processes involved in the plasma sheet.Observations have suggested that patchy reconnection and the resulting earthward bursty bulk flows(BBFs)transport may be involved in causing the lower temperature ratios at smaller radial distances during southward IMF periods.In this paper,we estimate theoretically how a patchy magnetic reconnection electric field can accelerate ions and electrons differently.If both ions and electrons are non-adiabatically accelerated only once within each reconnection,the temperature ratio would be preserved.However,when reconnection occurs closer to the Earth where magnetic field lines are shorter,particles mirrored back from the ionosphere can cross the reconnection region more than once within one reconnection;and electrons,moving faster than ions,can have more crossings than do ions,leading to electrons being accelerated more than ions.Thus as particles are transported from tail to the near-Earth by BBFs through multiple reconnection,electrons should be accelerated by the reconnection electric field more times than are ions,which can explain the lower temperature ratios observed closer to the Earth.

Preservation and variation of ion-to-electron temperature ratio in the plasma sheet in geo-magnetotail

The ion-to-electron temperature ratio is a good indicator of the processes involved in solar wind plasma entering and being transported inside Earth’s plasma sheet.In this study,we have demonstrated that patchy magnetic reconnection has the potential to preserve the ion-to-electron temperature ratio under certain conditions.If the charged particles are non-adiabatically accelerated no more than once in a single reconnection,the temperature ratio would be preserved;on the other hand,this ratio would not be preserved if they are accelerated multiple times.Consequently,under a northward interplanetary magnetic field(IMF)condition,the reconnection in the nonlinear phase of the Kelvin-Helmholtz instability is the dominant process for solar-originated plasma entering the Earth’s magnetosphere,and the ion-to-electron temperature ratio is preserved inside the plasma sheet.When the direction of the IMF is southward,the reflection of electrons from the magnetic mirror point,and subsequent multiple non-adiabatic accelerations at the reconnection site,are the primary reasons for the observed low ion-to-electron temperature ratio close to the Earth at midnight.While reconnections that occur in the night-side far tail might preserve the ratio,turbulence on the boundaries of the bursty bulk flows(BBFs)could change the ratio in the far tail through the violation of the frozen-in condition of the ions.The plateau in the contour of the calculated ion-to-electron temperature ratio in the down tail distance between 40 and 60 Earth radii may explain the strong correlation between the ion and electron temperatures in the outer central plasma sheet,which has not been clearly understood till date.

THERMAL FORCING IMPACTS OF THE EASTERLY VORTEX ON THE EAST-WEST SHIFT OF THE SUBTROPICAL ANTICYCLONE OVER WESTERN PACIFIC OCEAN

By employing the NCEP/NCAR reanalysis data sets(1 000 to 10 hPa,2.5°× 2.5°),the thermal forcing impacts are analyzed of an easterly vortex(shortened as EV) over the tropical upper troposphere on the quasi-horizontal movement of the Western Pacific Subtropical Anticyclone(shortened as WPS A) during 22-25 June 2003.The relevant mechanisms are discussed as well.It is shown that the distribution and intensity of the non-adiabatic effect near the EV result in the anomalous eastward retreat of the WPSA.The WPSA prefers extending to the colder region,i.e.,it moves toward the region in which the non-adiabatic heating is weakening or the cooling is strengthening.During the WPSA retreat,the apparent changes of non-adiabatic heating illustrate the characteristics of enhanced cooling in the east side of the EV.Meanwhile,the cooling in the west side exhibits a weakened eastward trend,most prominently at 300 hPa in the troposphere.The evidence on the factors causing the change in thermal condition is found:the most important contribution to the heating-rate trend is the vertical transport term,followed in turn by the local change in the heating rate term and the horizontal advection term.As a result,the atmospheric non-adiabatic heating generated by the vertical transport and local change discussed above is mainly connected to the retreat of the WPSA.

采用非绝热动力学模拟探究溶剂效应对桨-轮形状的给体-受体复合物的激发态弛豫动力学的影响

充分理解给体-受体复合物的激发态动力学在实验和理论上都具有非常重要的意义.本文首次结合电子结构计算和非绝热动力学模拟,探索了最近合成的一个桨-轮形状的给体-受体复合物的光致动力学过程,该复合物山三个氟硼二吡咯基团和一个六氧杂并三苯构成.根据计算结果,得出结论,桨-轮形状的给体-受体复合物共轭物在激发时将被提升到氟硼二吡咯片段的局部激发状态,然后发生超快局部激发电子态到电荷转移电子态的激子转移.与先前实验工作中提出的光致电子转移机理不同,这种激子转移过程伴随着从氟硼二吡咯基团到六氧杂并三苯基团上的空穴.此外,还发现溶剂效应在该体系的光致动力学中起着重要作用.具体而言,强极性的乙腈溶剂加速了空穴转移动力学,这可以归因于溶剂对电荷转移状态的显著影响,即局部激发和电荷转移激子之间的能隙大大减小,而与此同时非绝热耦合增加,这两个因素都可以促进空穴转移过程.目前的工作不仅为桨-轮形状的给体-受体复合物的潜在光诱导机制提供了有价值的见解,而且有助于未来设计具有更好光电性能的新型给体-受体复合物.

Nonadiabatic Geometric Quantum Computation with Asymmetric Superconducting Quantum Interference Device

We propose a method of controlling the dc-SQUID (superconducting quantum interference device) systemby changing the gate voltages, which controls the amplitude of the fictitious magnetic fields Bz, and the externallyapplied current that produces the piercing magnetic fiux φx for the dc-SQUID system. We have also introduced aphysical model for the dc-SQUID system. Using this physical model, one can obtain the non-adiabatic geometric phasegate for the single qubit and the non-adiabatic conditional geometric phase gate (controlled NOT gate) for the twoqubits. It is shown that when the gate voltage and the externally applied current of the dc-SQUID system satisfies anappropriate constraint condition, the charge state evolution can be controlled exactly on a dynamic phase free path. Thenon-adiabatic evolution of the charge states is given as well.

Geometrical representation of coherent tunneling process in two-waveguide and three-waveguide coupler

We propose an identical geometrical representation scheme for both Landau-Zener （LZ） tunneling process in two-waveguide coupler with a cubically bent structure and stimulated Raman adiabatic passage （STIRAP） in three-waveguide coupler, similar to the geometrical representation of sum frequency process. The results show that although the two-waveguide coupler with a cubically bent axis has not aperiodic structure, it acts as a chirped quasi-phase-matching （QPM） grating and corrects the relative phase between the two supermodes in the curved coupler system. We present a scheme about how to choose the parameters to design the curved beam splitter.

Non-adiabatic flow characteristics of micro impeller

Non-adiabatic working condition is one of the major causes of performance deterioration in micro gas turbine engines.Complex micro scale geometry,low Reynolds number operating condition and high surface to volume ratio all lead to severe heat transfer.This paper first established a simple heat transfer model to determine appropriate non-adiabatic boundary condition for computational fluid dynamics(CFD)simulations.Isothermal wall temperature is identified as a heat transfer boundary based on model analysis in combination with material selection for pre-design of the engine and verified by the experiment carried out on directed structure applied in the model.A series of numerical simulations with adiabatic and non-adiabatic boundary conditions is then carried out to study the flow characteristics of high speed,low Reynolds number micro impeller.The physical nature for significant performance degradation related to flow behavior changes due to heat transfer effect is revealed by detailed analysis of typical flow features extracted from the comparative investigation.The result established the basis for heat transfer modeling of micro impeller purposing implications for design modification in order to attain high efficiency and better performance.

Excited electron and spin dynamics in topological insulator: A perspective from ab initio non-adiabatic molecular dynamics

We perform an ab initio non-adiabatic molecular dynamics simulation to investigate the non-equilibrium spin and electron dynamics in a prototypical topological insulator(TI)Bi,Ses.Different from the ground state,we reveal that backscattering can happen in an oscillating manner between time-reversal pair topological surface states(TSSs)in the non-equilibrium dynamics.Analysis shows the phonon excitation induces orbital composition change by electron-phonon interaction,which further stimulates spin canting through spin-orbit coupling.The spin canting of time-reversal pair TSSs leads to the non-zero non-adiabatic coupling between them and then issues in backscattering.Both the spin canting and backscattering result in ultrafast spin relaxation with a timescale around 10o fs.This study provides critical insights into the non-equilibrium electron and spin dynamics in TI at the ab initio level and paves a way for the design of ultrafast spintronic materials.

Progress of Modern Pyrolysis Furnace Technology

This paper presents the fundamentals of thermal pyrolysis and discusses the modern ethylene furnace technology and its design trends. Technip’s proprietary SPYRO? program is discussed for prediction of hydrocarbon cracking.

Significant impact of deprotonated status on the photoisomerization dynamics of bacteriophytochrome chromophore

We report that the photoinduced dynamics of the phytochrome chromophore is strongly dependent on the protonation/deprotonation states of the pyrrole ring. The on-the-fly surface hopping dynamics simulations were performed to study the photoisomerization of different protonation/deprotonation phytochrome chromophore models. The simulation results indicate that the deprotonations at the pyrrole rings significantly modify the photoinduced nonadiabatic dynamics, leading to distinctive population decay dynamics and different reaction channels. Such feature can be well explained by the formation of the different hydrogen bond network patterns. Therefore, the proper understanding of the photoisomerization mechanism of phytochrome chromophore must take the hydrogen bond network into account. This work provides the new insights into the photobiological functions of phytochrome chromophore and suggests the possible ideas to control of its photoconversion processes for further rational engineering in optical applications.

Some basic properties of tfaermofluid flow

The flows in which thermal process plays an important role are discussed using the analytical method. An approximate expression for the variation of the stream-pipe cross-section with the temperature is obtained. Some basic properties of the thermofluid flow are dealt with, such as the phenomenon that the streamlines will "reject when heated and attract when cooled" or "attract when heated and reject when cooled" under different heat transfer conditions and the deviation of the sonic point from the point of the smallest cross-section area of the stream-pipe.

Geometric heat pump:Controlling thermal transport with time-dependent modulations

The second law of thermodynamics dictates that heat simultaneously flows from the hot to cold bath on average. To go beyond this picture, a range of works in the past decade show that, other than the average dynamical heat flux determined by instantaneous thermal bias, a non-trivial flux contribution of intrinsic geometric origin is generally present in temporally driven systems. This additional heat flux provides a free lunch for the pumped heat and could even drive heat against the bias. We review here the emergence and development of this so called “geometric heat pump”, originating from the topological geometric phase effect, and cover various quantum and classical transport systems with different internal dynamics. The generalization from the adiabatic to the non-adiabatic regime and the application of control theory are also discussed. Then, we briefly discuss the symmetry restriction on the heat pump effect, such as duality, supersymmetry and time-reversal symmetry. Finally, we examine open problems concerning the geometric heat pump process and elucidate their prospective significance in devising thermal machines with high performance.