Deep learning for determining pure isotropic proton spectra from solidstate spectra

Recently,an article on ^(1)H solid-state NMR spectra was published,in which the authors proposed a deep learning approach to infer the pure isotropic proton NMR spectra obtained at an infinite magic angle spinning(MAS)rate.This approach even allowed to obtain,by far,the best resolved ^(1)H spectra of molecular solids[1](https://doi.org/10.1002/anie.202216607).Deep learning based artificial intelligence is developing rapidly,and its application is deepening.Currently,there are many applications of deep learning in the field of magnetic resonance,such as the reconstruction of the under-sampled multidimensional spectra[2-4],the deconvolution of two-dimensional NMR spectra[5]and noise suppression and weak peak retrial[6],etc.

Tunable spectral continuous shift of high-order harmonic generation in atoms by a plasmon-assisted shaping pulse

We delve into the phenomenon of high-order harmonic generation within a helium atom under the influence of a plasmon-assisted shaping pulse.Our findings reveal an intriguing manipulation of the frequency peak position in the harmonic emission by adjusting the absolute phase parameter within the frequency domain of the shaping pulse.This phenomenon holds potential significance for experimental setups necessitating precisely tuned single harmonics.Notably,we observe a modulated shift in the created harmonic photon energy,spanning an impressive range of 1.2 eV.This frequency peak shift is rooted in the asymmetry exhibited by the rising and falling edges of the laser pulse,directly influencing the position of the peak frequency emission.Our study quantifies the dependence of this tuning range and the asymmetry of the laser pulse,offering valuable insights into the underlying mechanisms driving this phenomenon.Furthermore,our investigation uncovers the emergence of semi-integer order harmonics as the phase parameter is altered.We attribute this discovery to the intricate interference between harmonics generated by the primary and secondary return cores.This observation introduces an innovative approach for generating semi-integer order harmonics,thus expanding our understanding of high-order harmonic generation.Ultimately,our work contributes to the broader comprehension of complex phenomena in laser-matter interactions and provides a foundation for harnessing these effects in various applications,particularly those involving precise spectral control and the generation of unique harmonic patterns.

The quantum spectral analysis of the two-dimensional annular billiard system

Based on the extended closed-orbit theory together with spectral analysis, this paper studies the correspondence between quantum mechanics and the classical counterpart in a two-dimensional annular billiard. The results demonstrate that the Fourier-transformed quantum spectra are in very good accordance with the lengths of the classical ballistic trajectories, whereas spectral strength is intimately associated with the shapes of possible open orbits connecting arbitrary two points in the annular cavity. This approach facilitates an intuitive understanding of basic quantum features such as quantum interference, locations of the wavefunctions, and allows quantitative calculations in the range of high energies, where full quantum calculations may become impractical in general. This treatment provides a thread to explore the properties of microjunction transport and even quantum chaos under the much more general system.

Core level excitation spectra of La and Mn ions in LaMnO3

Manganese-based perovskite is popular for research on ferromagnetic materials,and its spectroscopic studies are essential for understanding its electronic structure,dielectric,electrical,and magnetic properties.In this paper,the M-edge spectra of La ions and the M-edge,L-edge,and K-edge spectra of Mn ions in LaMnO3 are calculated by considering both the free-ion multiplet calculation and the crystal field effects.We analyze spectral shapes,identify peak origins,and estimate the oxidation states of La and Mn ions in LaMnO3 theoretically.It is concluded that La ions in LaMnO3 predominantly exist in the trivalent state,while Mn ions exist primarily in the trivalent state with a minor presence of tetravalent ions.Furthermore,the calculated spectra are in better conformity with the experimental spectra when the proportion of Mn3+is 90%and Mn4+is 10%.This article enhances our comprehension of the oxidation states of La and Mn within the crystal and also provides a valuable guidance for spectroscopic investigations of other manganates.

Optical and electrical properties of two-dimensional anisotropic materials

Two-dimensional(2D) anisotropic materials, such as B-P, B-As, GeSe, GeAs, ReSe2, KP15 and their hybrid systems, exhibit unique crystal structures and extraordinary anisotropy. This review presents a comprehensive comparison of various 2D anisotropic crystals as well as relevant FETs and photodetectors, especially on their particular anisotropy in optical and electrical properties. First, the structure of typical 2D anisotropic crystal as well as the analysis of structural anisotropy is provided. Then, recent researches on anisotropic Raman spectra are reviewed. Particularly, a brief measurement principle of Raman spectra under three typical polarized measurement configurations is introduced. Finally, recent progress on the electrical and photoelectrical properties of FETs and polarization-sensitive photodetectors based on 2D anisotropic materials is summarized for the comparison between different 2D anisotropic materials. Beyond the high response speed, sensitivity and on/off ratio, these 2D anisotropic crystals exhibit highly conduction ratio and dichroic ratio which can be applied in terms of polarization sensors, polarization spectroscopy imaging, optical radar and remote sensing.

Application of Two-Dimensional Correlation UV-Vis Spectroscopy in Chinese Liquor Moutai Discrimination

Chinese liquor Moutai is the “National alcoholic drink” in China and plays a very important role of social activities in Chinese people’s life. In pursuit of high profits, some illegal counterfeit Moutai liquors have begun to appear in the market. Therefore, it is an urgent need for new techniques to discriminate the genuine and counterfeit Moutai liquor. In this work, the conventional Ultraviolet-Visible (UV-Vis) spectroscopy and two-dimensional correlation UV-Vis spectroscopy are applied to obtain the UV-Vis characteristic of Moutai liquor and counterfeit one, respectively. The experimental results reveal that the conventional UV-Vis spectra of the genuine and counterfeit Moutai liquor are similar. However, the two-dimensional correlation UV-Vis spectra of them are different and this method would be applied to differentiate the counterfeit Moutai liquor from the genuine Moutai liquor. Compared with conventional methods, this novel method has the advantages of easy operation, simple instrumentation and direct recognition, which make it a potential tool in the fields of food safety.

Two-Dimensional Self-Propelled Fish Motion in Medium： An Integrated Method for Deforming Body Dynamics and Unsteady Fluid Dynamics

We present （1） the dynamical equations of deforming body and （2） an integrated method for deforming body dynamics and unsteady fluid dynamics, to investigate a modelled freely self-propelled fish. The theoretical model and practical method is applicable for studies on the general mechanics of animal locomotion such as flying in air and swimming in water, particularly of free self-propulsion. The present results behave more credibly than the previous numerical studies and are close to the experimental results, and the aligned vortices pattern is discovered in cruising swimming.

Bismuth doped lead-free two-dimensional tin based halide perovskite single crystals

Heterovalent-metal doping is an efficient tool to tune the optoelectronic properties of the famous halide perovskites.Previous studies have focused on the heterovalent-doping in three-dimensional(3D) halide perovskites.However, there is a lack of such doping in two-dimensional perovskites which possess unique optoelectronic properties and improved chemical stability as compared to 3D analogues.Here, we present successful doping of Bismuth into the lattice of lead-free, two-dimensional perovskite PEA2SnBr4 single crystals.Structural characterizations demonstrate that the doped crystals possess identical crystal structure and layered morphology with the pristine one.Intriguingly, we find the PL peak and spectral shape can be tailored by tuning the concentration of Bi dopants.Femtosecond transient absorption spectroscopy is performed to understand the underlying mechanism related to tunable PL behaviors, and a clear picture of the Bismuth-doping impact is provided.

General principles to high-throughput constructing two-dimensional carbon allotropes

We propose general principles to construct two-dimensional(2D)single-atom-thick carbon allotropes.They can be viewed as the generalization of patterning Stone–Walse defects(SWDs)by manipulating bond rotation and of patterning inverse SWDs by adding(or removing)carbon pairs on the pristine graphene,respectively.With these principles,numerous 2D allotropes of carbon can be systematically constructed.Using 20 constructed 2D allotropes as prototypical and benchmark examples,besides nicely reproducing all well-known ones,such as pentaheptites,T-graphene,OPGs,etc,we still discover 13 new allotropes.Their structural,thermodynamic,dynamical,and electronic properties are calculated by means of first-principles calculations.All these allotropes are metastable in energy compared with that of graphene and,except for OPG-A and C3-10-H allotropes,the other phonon spectra of 18 selected allotropes are dynamically stable.In particular,the proposed C3-11 allotrope is energetically favorable than graphene when the temperature is increased up to 1043 K according to the derived free energies.The electronic band structures demonstrate that(i)the C3-8 allotrope is a semiconductor with an indirect DFT band gap of 1.04 e V,(ii)another unusual allotrope is C3-12 which exhibits a highly flat band just crossing the Fermi level,(iii)four allotropes are Dirac semimetals with the appearance of Dirac cones at the Fermi level in the lattices without hexagonal symmetry,and(vi)without the spin–orbit coupling(SOC)effect,the hexagonal C3-11 allotrope exhibits two Dirac cones at K and K points in its Brillouin zone in similarity with graphene.

Two-Dimensional Euler Adaptive Mesh Method on Detonation

The adaptive mesh refinement （AMR） method is applied in the 2-D Euler multi-component elasticplastic hydrodynamics code （MEPH2Y）. It is applied on detonation. Firstly, the AMR method is described, including a conservative spatial interpolation, the time integration methodology with the adapitve time increment and an adaptive computational region method. The advantage of AMR technique is exhibited by numerical examples, including the 1-D C-J detonation and the 2-D implosion ignited from a single point. Results show that AMR can promote the computational efficiency, keeping the accuracy in interesting regions.

Tunable Magneto-Optical Kerr Effect in Fe Films Underneath a Two-Dimensional Array of Polystyrene Spheres Covered by Au Nanocaps

For Fe layers covered by two-dimensional arrays of hexagonal close-packed polystyrene spheres which are hemispherically covered by Au films on the top,fine structures are observed in reflection,magneto-optical Kerr rotation and ellipticity spectra.The Kerr rotation achieves peaks or exhibits a narrow resonance-like spectral lineshape near the reflection minima,depending on the mechanism of the reflection dips.The Kerr rotation peaks and the resonance-like lineshape both are shifted with the sphere diameters.These phenomena can be attributed to the excitation of surface plasmon resonance and Fabry–Pérot modes.

COMPACTLY SUPPORTED NON-TENSOR PRODUCT FORM TWO-DIMENSION WAVELET FINITE ELEMENT

Some theorems of compactly supported non-tensor product form two-dimension Daubechies wavelet were analysed carefully. Compactly supported non-tensor product form two-dimension wavelet was constructed, then non-tensor product form two dimension wavelet finite element was used to solve the deflection problem of elastic thin plate. The error order was researched. A numerical example was given at last.

An Integrative Biosensor Based on Contra-Directional Coupling Two-dimensional Photonic Crystal Waveguides

We propose an integrative biochemical sensor utilizing the dip in the transmission spectrum of a normal singleline defect photonic crystal （PC） waveguide, which has a eontra-directional coupling with another PC waveguide. When the air holes in the PC slab are filled with a liquid analyte with different refractive indices, the dip has a wavelength shift. By detecting the output power variation at a certain fixed wavelength, a sensitivity of 1.2 × 10^-4 is feasible. This structure is easy for integration due to its plane waveguide structure and omissible pump source. In addition, high signal to noise ratio can be expected because signal transmits via a normal single-line defect PC waveguide instead of the PC hole area or analyte.

Two-dimensional photoelectron momentum distribution of hydrogen in intense laser field

Two-dimensional （2D） electron momentum distributions and energy spectra of a hydrogen in an intense laser field are calculated by solving the time-dependent SchrSdinger equation combined with the window-operator technique. Compared with the standard projection technique, the window-operator technique has the advantage that the continuum states of atoms can be avoided in the calculation. We show that the 2D electron momentum distributions and the energy spectra from those two techniques accord quite well with each other if an appropriate energy width is used in the window operator.

EFFECT OF SUSPENDED SOLID PARTICLES ON UNSTABILITY OF TWO-DIMENSION MIXING LAYER

By considering the effect of suspended solid particles in the ordinary equations for two-dimension inviscid incompressible mixing layer, the Rayleigh equation and the modified Rayleigh equation are obtained. And then, by solving the corresponding eigen-value equations with numerical computational method, the relation curves between perturbation frequency and spacial growth rate of the mixing layer for the varying particle loading, ratio of particle velocity to fluid velocity and Stokes number are got. Sever al important conclusions on the effect of suspended solid particles on unstability of the mixing layer are presented in the end by analyzing all the relation curves.

Magnetic Properties of a Mixed Spin-2 and Spin-5/2 Heisenberg Ferrimagnetic System on a Two-Dimensional Honeycomb Lattice： Green＇s Function Approach

multisublattice 格林“ s 功能技术被使用学习磁性一。混合 spin-2 和 spin-5/2 海森堡含铁 atwo 维的蜂房格子上的磁性的系统。在 Hamiltonian 的不同相互作用的角色被探索。当仅仅近邻居的相互作用和单个离子的 anisotropy 被包括时，我们的结果显示在有限温度有赔偿点。当 thenext-nearest-neighbor 相互作用超过在 Hamiltonian 取决于另外的参数的最小的价值时，赔偿点消失。next-nearest-neighbor 相互作用有改变赔偿温度的效果。

Measured load spectra of the bearing in high-speed train gearbox under different gear meshing conditions

The load spectrum is a crucial factor for assess-ing the fatigue reliability of in-service rolling element bear-ings in transmission systems.For a bearing in a high-speed train gearbox,a measurement technique based on strain detection of bearing outer ring was used to instrument the bearing and determine the time histories of the distributed load in the bearing under different gear meshing conditions.Accordingly,the load spectrum of the total radial load car-ried by the bearing was compiled.The mean value and class interval of the obtained load spectrum were found to vary non-monotonously with the speed and torque of gear mesh-ing,which was considered to be caused by the vibration of the shaft and the bearing cage.As the realistic service load input of bearing life assessment,the measured load spectrum under different gear meshing conditions can be used to pre-dict gearbox bearing life realistically based on the damage-equivalent principle and actual operating conditions.

Surface Topography of Fine-grained ZrO_2 Ceramic by Two-dimensional Ultrasonic Vibration Grinding

The surface quality of fine-grained ZrO2 engineering ceramic were researched using 270# diamond wheel both with and without work-piece two-dimension ultrasonic vibration grinding（WTDUVG）. By AFM images, the surface topography and the micro structure of the two-dimensional ultrasonic vibration grinding ceramics were especially analyzed. The experimental results indicate that the surface roughness is related to grinding vibration mode and the material removal mechanism. Surface quality of WTDUVG is superior to that of conventional grinding, and it is easy for two-dimensional ultrasonic vibration grinding that material removal mechanism is ductile mode grinding.

Multi-foci metalens for spectra and polarization ellipticity recognition and reconstruction

Multispectral and polarized focusing and imaging are key functions that are vitally important for a broad range of optical applications.Conventional techniques generally require multiple shots to unveil desired optical information and are implemented via bulky multi-pass systems or mechanically moving parts that are difficult to integrate into compact and integrated optical systems.Here,a design of ultra-compact transversely dispersive metalens capable of both spectrum and polarization ellipticity recognition and reconstruction in just a single shot is demonstrated with both coherent and incoherent light.Our design is well suited for integrated and high-speed optical information analysis and can significantly reduce the size and weight of conventional devices while simplifying the process of collecting optical information,thereby promising for various applications,including machine vision,minimized spectrometers,material characterization,remote sensing,and other areas which require comprehensive optical analysis.