Dynamics of 7Li breakup and its influence on elastic scattering: a study of 7Li + 144Sm system

The angular distributions of 7Li+144Sm elastic scattering over the energy range of 21.6–52 MeV are reanalyzed utilizing various interaction potentials.The analysis aims to study the consistency of the implemented potentials in representing the considered data and investigate the cluster nature of the weakly bound 7Li projectile.This will aid in the better understanding the impacts of 7Li breakup on the elastic scattering channel.Strong coupling to the breakup channel has a substantial impact on the elastic data and reproduces a repulsive dynamical polarization potential,which drastically diminishes the real potential strength.This reported impact was simulated by introducing a semi-microscopic repulsive DPP and by implementing the method of continuum discretized coupled channels.The analysis was also extended to understand the impact of triton transfer on the elastic scattering data.

Dielectric Analysis of Dynamic Fouling Behavior on Surface of Polyethersulfone Composite Ultrafiltration Membrane

A dielectric analysis model for the fouling layer on the polyethersulfone composite ultrafiltration （UF） membrane and solution system, which consists of the solution, concentration polarization layer （CPL）, and cake layer, was established by virtue of the interfacial polarization and the electrostatic field theory. The effect of some important parameters, such as the depth, conductivity of CPL, and cake layer, on the dielectric spectroscopy （or dielectric relaxation properties） of the UF system was discussed by the parameter sensitivity analysis and the dielectric measurement. The simulations indicate that the CPL can be created rapidly and the cake layer formation is the dynamic balance process of growth and erosion in the process of UF. The key factor affecting on the dielectric spectrum of UF system is the electrical properties of the CPL and the cake layer. In comparison to the results of dielectric measurement, the simulations indicate that the model proposed in this work is valid and reliable to some degree for describing and explaining the dielectric relaxation phenomenon in UF system. It is very important to further understand the fouling behavior of membrane surface and optimize the controlling techniques of membrane fouling in the process of UF.

EFFECT OF CERIUM ION IMPLANTATION ON THE AQUEOUS CORROSION BEHAVIOR OF ZIRCONIUM

In order to study the influence of cerium ion implantation on the aqueous corrosion behavior of zirconium, specimens were implanted by cerium ions with a dosage range from 1×1016 to 1×1017 ions/cm2 at about 150℃, using MEVVA source at an acceler ative voltage of 40kV. The valence of the surface layer was analyzed by X-ray photo- electron spectroscopy (XPS); Three-sweep potentiodynamic polarization measurement was employed to value the aqueous corrosion resistance of zirconium in a 0.5mol/L H2SO4 solution. It was found that a remarkable decline in the aqueous corrosion behavior of zirconium implanted with cerium ions compared with that of the as-received zirconium. Finally, the mechanism of the corrosion resistance decline of the cerium-implanted zirconium is discussed.

Channeling of fast ions through the bent carbon nanotubes： The extended two-fluid hydrodynamic model

We investigate the interactions of charged particles with straight and bent single-walled carbon nanotubes （SWNTs） under channeling conditions in the presence of dynamic polarization of the valence electrons in carbon, This polarization is described by a cylindrical, two-fluid hydrodynamic model with the parameters taken from the recent modelling of several independent experiments on electron energy loss spectroscopy of carbon nano-structures. We use the hydrodynamic model to calculate the image potential for protons moving through four types of SWNTs at a speed of 3 atomic units. The image potential is then combined with the Doyle-Turner atomic potential to obtain the total potential in the bent carbon nanotubes. Using that potential, we also compute the spatial and angular distributions of protons channeled through the bent carbon nanotubes, and compare the results with the distributions obtained without taking into account the image potential.

ASYMMETRIC DYNAMIC INSTABILITY OF AXISYMMETRIC POLAR DIMPLING OF THIN SHALLOW SPHERICAL SHELLS

If the parameter , which measures the thickness-to-rise of the sliell, is small, the axismnnetrie polar dimpling oj .shallow .spherical .shell due to quadratic pressure distribution i.s dynamic instability, i.e., a small perturbation can change il to an asymmetric polar dimple mode. In two cases, the problem can be reduced to an eigenvalue problem where T can approximately be reduced to a Sturm-Liouvi/le operator if The existence of at least one real eigenvalue of T, which means that the axisyntmetric polar dimpling is dynamically unstable, i.s proved by spectral theorem or Hilbert theorem. Furthermore, an eigenfunction, which represents one of the asymmetric modes of the unstable dimple shell, belonging to an eigenvalue of T, is found.

Simultaneous acquisition of multi-nuclei enhanced NMR/MRI by solution-state dynamic nuclear polarization

Dynamic nuclear polarization （DNP） has become a very important hyperpolarization method because it can dramatically increase the sensitivity of nuclear magnetic resonance （NMR） of various molecules. Liquid-state DNP based on Overhauser effect is capable of directly enhancing polarization of all kinds of nuclei in the system. The combination of simultaneous Overhauser multi-nuclei enhancements with the multi-nuclei parallel acquisitions provides a variety of important applications in both MR spectroscopy （MRS） and image （MRI）. Here we present two simple illustrative examples for simultaneously enhanced multi-nuclear spectra and images to demonstrate the principle and superiority. We have observed very large simultaneous DNP enhancements for different nuclei, such as XH and 23Na, 1H and 31p, 19F and 31p, especially for the first time to report sodium ion enhancement in liquid. We have also obtained the simultaneous images of 19H and 31p, 19F and 31p at low field by solution-state DNP for the first time.

Spin polarization strategy to deploy proton resource over atomic-level metal sites for highly selective CO_(2) electrolysis

Unlocking of the extremely inert C=O bond during electrochemical CO_(2) reduction demands subtle regulation on a key“resource”,protons,necessary for intermediate conversion but also readily trapped in water splitting,which is still challenging for developing efficient single-atom catalysts limited by their structural simplicity usually incompetent to handle this task.Incorporation of extra functional units should be viable.Herein,a proton deployment strategy is demonstrated via“atomic and nanostructured iron(A/N-Fe)pairs”,comprising atomically dispersed iron active centers spin-polarized by nanostructured iron carbide ferromagnets,to boost the critical protonation steps.The as-designed catalyst displays a broad window(300 mV)for CO selectivity>90%(98%maximum),even outperforming numerous cutting-edge M–N–C systems.The well-placed control of proton dynamics by A/N-Fe can promote*COOH/*CO formation and simultaneously suppress H2 evolution,benefiting from the magnetic-proximity-induced exchange splitting(spin polarization)that properly adjusts energy levels of the Fe sites’d-shells,and further those of the adsorbed intermediates’antibonding molecular orbitals.

Silicon photonics integrated dynamic polarization controller

We designed and demonstrated experimentally a silicon photonics integrated dynamic polarization controller.The overall size of the dynamic polarization controller on chip is 2.830 mm × 0.210 mm × 1 mm.The modulation bandwidth is 30 kHz.By using a variable step simulated annealing approach,we achieve a dynamic polarization extinction ratio greater than 25 dB.A numerical simulation method was used to optimize the relevant parameters of the dynamic polarization controller.It is expected that the dynamic polarization controller can be utilized in fiber communication systems or silicon photonics integrated quantum communication systems to minimize the size and decrease the cost further.

Chemically induced dynamic electron polarization investigation of the triplet-radical system in the solution of the triplet quencher

The chemically induced dynamic electron polarization (CIDEP) of the triplet molecule/triplet quencher/2, 2, 6, 6-tetramethyl-1-piperidinyloxyl (TEMPO) systems were measured using the high time-resolved ESR spectrometer. The competition between the radical-triplet pair mechanism (RTPM) and triplet mechanism (TM) or radical pair mechanism (KIM) polarization in the solution of the triplet quencher was investigated, and the relationships between reaction rate of the radical-triplet pair and quenching rate of triplet was deduced.

Ground-state and dynamical properties of a spin-S Heisenberg star

We generalize the Heisenberg star consisting of a spin-1/2 central spin and a homogeneously coupled spin bath modeled by the XXX ring[Richter J and Voigt A 1994 J.Phys.A:Math.Gen.271139-1149]to the case of arbitrary central-spin size S<N/2,where N is the number of bath spins.We describe how to block-diagonalize the model based on the Bethe ansatz solution of the XXX ring,with the dimension of each block Hamiltonian≤2 S+1.We obtain all the eigenenergies and explicit expressions of the sub-ground states in each l-subspace with l being the total angular momentum of the bath.Both the eigenenergies and the sub-ground states have distinct structures depending whether S≤l or l<S.The absolute ground-state energy and the corresponding l as functions of the intrabath coupling are numerically calculated for N=16 and S=1,2,…,7 and their behaviors are quantitatively explained in the weak and strong intrabath coupling limits.We then study the dynamics of the antiferromagnetic order within an XXX bath prepared in the Néel state.Effects of the initial state of the central spin,the value of S,and the system-bath coupling strength on the staggered magnetization dynamics are investigated.By including a Zeeman term for the central spin and the anisotropy in the intrabath coupling,we also study the polarization dynamics of the central spin for a bath prepared in the spin coherent state.Under the resonant condition and at the isotropic point of the bath,the polarization dynamics for S>1/2 exhibit collapse-revival behaviors with fine structures.However,the collapserevival phenomena are found to be fragile with respect to the anisotropy of the intrabath coupling.

Infrared spectroscopy of N-methylacetamide in water from high-level QM/MM calculations

The infrared （IR） spectra of the N-methylacetamide molecule in water are calculated by using the MD simulation with high-level QM]MM corrections. The B3LYP and MP2 levels with 6-31 I＋＋G＊＊ basis set are used for the QM region, respectively, Our results show all IR spectra at the B3LYP level are well consistent with the corresponding MP2 results. A dynamical charge fluctuation is observed for each atom along the simulation trajectories due to the electrostatic polarization （EP） effects from surrounding solvent environment, We find that the QM/MM corrected IR spectra satisfactorily reprodnce the experimental vibrational features of amide 1-11I modes.

Energetics of protein backbone hydrogen bonds and their local electrostatic environment

MD simulation study of several peptides including a polyalanine,a helix(pdb:2I9M),and a leucine zipper were carried out to investigate hydrogen bond energetics using dynamic polarized protein-specific charge(DPPC)to account for the polarization effect in protein dynamics.Results show that the backbone hydrogen-bond strength is generally correlated with its specific local electrostatic environment,measured by the number of water molecules near the hydrogen bond in the first solvation shell.The correlation coefficient is found to be 0.89,0.78,and 0.80,respectively,for polyalanine,2I9M protein,and leucine zipper.In the polyalanine,the energies of the backbone hydrogen bonds are very similar to each other due to their similar local electrostatic environment.The current study helps demonstrate and support the understanding that hydrogen bonds are stronger in a hydrophobic surrounding than in a hydrophilic one.For comparison,the result from simulation using standard force field shows a much weaker correlation between hydrogen bond energy and local electrostatic environment due to the lack of polarization effect in the force field.

Stable pillar[5]arene-based pseudo[1]rotaxanes formed in polar solution

Mono-alkyl-functionalized pillar[5]arenes PI, P2, and P3 were synthesized by click reaction, which exhibited different self-assembly behavior in polar solvent DMSO. Stable pseudo[ 1 ]rotaxane was formed by the self-complexation from P1 or P2, whereas, concentration-dependent pseudorotaxane structures were generated by P3 which bearing more flexible side chain. Interestingly, the obtained pseudo[1]rotaxanes exhibited a dynamic fast assembly process upon adding NaBF4, resulting in the formation of Na＋-induced pseudorotaxanes.

Influence of breakup on elastic and α-production channels in the ^6Li＋^116Sn reaction

The effects of breakup reactions on elastic and α-production channels for the ^6Li＋^116Sn system have been investigated at energies below and near the Coulomb barrier. The angular distributions of α-particle production differential cross sections have been obtained at several projectile energies between 22 and 40 MeV. The measured breakup α-particle differential cross sections and elastic scattering angular distributions have been compared with the predictions of continuum-discretized coupled channels（CDCC） calculations. The influence of breakup coupling has also been investigated by extracting dynamic polarization potentials（DPP） from the CDCC calculations. From the predictions of CDCC calculations the relative importance of the nuclear, Coulomb, and total breakup contributions have also been investigated. The nuclear breakup couplings are observed to play an important role in comparison to the Coulomb breakup for the direct breakup mechanisms associated in the reaction of ~6Li projectile with ^（116）Sn target nuclei. The influence of strong nuclear breakup coupling exhibits suppression in the Coulomb-nuclear interference peak. The direct breakup cross sections from the CDCC calculations under-predict the measured α-particle differential cross sections at all energies. This suggests that the measured α particles may also have contributions from other possible breakup reaction channels.

Dynamical analysis of the effect of elliptically polarized laser pulses on molecular alignment and orientation

In this Letter, we study the molecular alignment and orientation driven by two elliptically polarized laser pulses.It is shown that the field-free molecular alignment can be achieved in a three-dimensional（3D） case, while the field-free molecular orientation is only along the x and y directions, and that the field-free alignment and orientation along different axes are related to the populations of the rotational states. It is demonstrated that changing the elliptic parameter is efficient for controlling both in-pulse and post-pulse molecular alignment and orientation. The delay time also has an influence on the field-free molecular alignment and orientation.

A New Chirality Invertible Photoswitch:Light-Driven Axially Chiral Hydrazone Enabling Dynamic Handedness Inversion of Self-Organized Helical Superstructure

Inspired by nature,dynamic self-organized helical superstructures are becoming attractive as building blocks in soft photonic crystals and advanced chiroptical devices.Herein,a chirality invertible hydrazone photoswitch,possessing high helical twisting power(HTP)was judiciously designed and synthesized.Due to the photoinduced configuration changes of the hydrazone photoswitch,it displayed superior thermal stability and strikingly reversible HTP changes.By incorporating a novel chiral hydrazone(CH)into the liquid crystal(LC)host,a handedness invertible cholesteric liquid crystal(CLC)helical superstructure with high thermal stability and light-modulated photonic bandgap was prepared.We inferred that the mechanism of chirality inversion of the novel CH photoswitch derived from changes in the dihedral angle between the two naphthalene rings induced by hydrazone isomerization.Therefore,the influence of chemical structures on its photoresponsiveness was explored.Finally,the potential applications of this advanced light-driven CLC in soft photonic crystals,showing erasable and rewritable colorful patterns and chiroptical templates to induce handedness invertible circularly polarized luminescence were illustrated.