Hot Spot in Materials with Structural Defects under High Shear Loading Rates

The response of three-dimensional sample of Al, containing vacancy complex, under shear loading was simulated. The molecular dynamics method was used and interaction between atoms was described on the base of pseudopotential theory Solitary waves were generated in the sample under mechanical loading. Their interaction with the vacancy complexes was shown to be able to initiate hot spot in that local region of the complexes. Some parameters of the hot spot as well as solitary waves were calculated. The initiation of the hot spot is accompanied with sufficient local structural relaxation.

Direct visualization of structural defects in 2D semiconductors

Direct visualization of the structural defects in two-dimensional(2D)semiconductors at a large scale plays a significant role in understanding their electrical/optical/magnetic properties,but is challenging.Although traditional atomic resolution imaging techniques,such as transmission electron microscopy and scanning tunneling microscopy,can directly image the structural defects,they provide only local-scale information and require complex setups.Here,we develop a simple,non-invasive wet etching method to directly visualize the structural defects in 2D semiconductors at a large scale,including both point defects and grain boundaries.Utilizing this method,we extract successfully the defects density in several different types of monolayer molybdenum disulfide samples,providing key insights into the device functions.Furthermore,the etching method we developed is anisotropic and tunable,opening up opportunities to obtain exotic edge states on demand.

A Study on S.R.Topography of the Structural Defects in High-J_c Superconducting YBaCuO Crystal Prepared by the MTG Technique

It is well known that for technological application,a great effort has been done to enchance Jvalue ofsuperconducting YBaCuO sintered bulk.Except oxygen content,the main problem for increasing critical cur-rent density Jis to eliminate the weak link and to control crystallographic anisotropy.It is necessary tomake YBaCuO superconducting bulk have a strong texture with C-axis orientation.Since Jin et al.has suc-

Plasmon resonance coupling in strongly coupled gold nanotube arrays with structural defects

We theoretically investigate the transmission spectra and the field distributions with different defects in the gold nanotube arrays by using the finite-difference time-domain method. It is found that the optical properties of the nanotube arrays are strongly influenced by different defects. When there are no defects in the central nanotube, the values of peaks located at both sides of the photonic band gap have their maxima. Based on the distributions of electric field component Ex and the total energy distribution of the electric and the magnetic field, we show that mainly a dipole field distribution is exhibited for the plasmon mode at the long-wavelength edge of the band gap but higher order modes of the composite are excited at the short-wavelength edge of the band gap. The plasmon resonant modes can also be controlled by introducing defects.

An Approach to Detect Structural Development Defects in Object-Oriented Programs

Structural development defects essentially refer to code structure that violates object-oriented design principles. They make program maintenance challenging and deteriorate software quality over time. Various detection approaches, ranging from traditional heuristic algorithms to machine learning methods, are used to identify these defects. Ensemble learning methods have strengthened the detection of these defects. However, existing approaches do not simultaneously exploit the capabilities of extracting relevant features from pre-trained models and the performance of neural networks for the classification task. Therefore, our goal has been to design a model that combines a pre-trained model to extract relevant features from code excerpts through transfer learning and a bagging method with a base estimator, a dense neural network, for defect classification. To achieve this, we composed multiple samples of the same size with replacements from the imbalanced dataset MLCQ1. For all the samples, we used the CodeT5-small variant to extract features and trained a bagging method with the neural network Roberta Classification Head to classify defects based on these features. We then compared this model to RandomForest, one of the ensemble methods that yields good results. Our experiments showed that the number of base estimators to use for bagging depends on the defect to be detected. Next, we observed that it was not necessary to use a data balancing technique with our model when the imbalance rate was 23%. Finally, for blob detection, RandomForest had a median MCC value of 0.36 compared to 0.12 for our method. However, our method was predominant in Long Method detection with a median MCC value of 0.53 compared to 0.42 for RandomForest. These results suggest that the performance of ensemble methods in detecting structural development defects is dependent on specific defects.

Periodic structural defects in Bragg gratings and their application in multiwavelength devices

In this paper, we present the finding that periodic structural defects(PSDs) along a Bragg grating can shift the Bragg wavelength. This effect is theoretically analyzed and confirmed by numerical calculation. We find that the Bragg wavelength shift is determined by the defect size and the period of the defects. The Bragg wavelength can be well tuned by properly designing the PSDs, and this may provide an alternative method to fabricate grating-based multiwavelength devices, including optical filter arrays and laser arrays. In regards to wavelength precision, the proposed method has an advantage over the traditional methods, where the Bragg wavelengths are changed directly by changing the grating period. In addition, the proposed method can maintain grating strength when tuning the wavelength since only the period of defects is changed. This will be a benefit for devices such as arrays.

Layered sphere-shaped TiO_2 capped with gold nanoparticles on structural defects and their catalysis of formaldehyde oxidation

We describe here a one-step method for the synthesis of Au/TiO2 nanosphere materials,which were formed by layered deposition of multiple anatase TiO2 nanosheets.The Au nanoparticles were stabilized by structural defects in each TiO2 nanosheet,including crystal steps and edges,thereby fixing the Au-TiO2 perimeter interface.Reactant transfer occurred along the gaps between these TiO2 nanosheet layers and in contact with catalytically active sites at the Au-TiO2 interface.The doped Au induced the formation of oxygen vacancies in the Au-TiO2 interface.Such vacancies are essential for generating active oxygen species（-＊O^-） on the TiO2 surface and Ti^3＋ ions in bulk TiO2.These ions can then form Ti^3＋-O^--Ti^4＋species,which are known to enhance the catalytic activity of formaldehyde（HCHO） oxidation.These studies on structural and oxygen vacancy defects in Au/TiO2 samples provide a theoretical foundation for the catalytic mechanism of HCHO oxidation on oxide-supported Au materials.

Thermal reffusivity： uncovering phonon behavior, structural defects, and domain size

To understand the relation between different nanostructures and thermal properties, a simple yet effective model is in demand for characterizing the underlying phonons and electrons scattering mechanisms. Herein, we make a systematic review on the newly developed thermal reffusivity theory. Like electrical resistivity which has been historically used as a theory for analyzing structural domain size and defect levels of metals, the thermal reffusivity can also uncover phonon behavior, structure defects and domain size of materials. We highlight that this new theory can be used for not only metals, but also nonmetals, even for amorphous materials. From the thermal reffusivity against temperature curves, the Debye temperature of the material and the ideal thermal diffusivity of single perfect crystal can be evaluated. From the residual thermal reffusivity at the 0 K limit, the structural thermal domain （STD） size of crystalline and amorphous materials can be obtained. The difference of white hair and normal black hair from heat conduction perspective is reported for the first time. Loss of melanin results in a worse thermal protection and a larger STD size in the white hair. By reviewing the different variation of thermal reffusivity against decreasing temperature profiles, we conclude that they reflected the structural connection in the materials. Ultimately, the future application of thermal reffusivity theory in studying 2D materials and amorphous materials is discussed.

Structural Distortion and Defects in Ti_3AlC_2 irradiated by Fe and He Ions

Ti_3AlC_2 samples are irradiated in advance by 3.5 MeV Fe-ion to the fluence of 1.0×10^（16） ion/cm^2,and then are implanted by 500 keV He-ion with the fluence of 1.0×10^（17） ion/cm^2 at room temperature.The irradiated samples are investigated by grazing incidence x-ray diffraction（GIXRD） and transmission electron microscopy（TEM）.GIXRD results show serious structural distortion,but without amorphization in the irradiated samples.Fe-ion irradiation and He-ion implantation create much more serious structural distortion than single Fe-ion irradiation.TEM results reveal that there are a large number of defect clusters in the damage region,and dense spherical He bubbles appear in the He depositional region.It seems that the pre-damage does not influence the growth of He bubbles,but He-ion implantation influences the pre-created defect configurations.

Fullerenes and derivatives as electrocatalysts: Promises and challenges

Carbon-based metal-free nanomaterials are promising alternatives to precious metals as electrocatalysts of key energy storage and conversion technologies.Of paramount significance are the establishment of design principles by understanding the catalytic mechanisms and identifying the active sites.Distinct from sp2-conjugated graphene and carbon nanotube,fullerene possesses unique characteristics that are growingly being discovered and exploited by the electrocatalysis community.For instance,the well-defined atomic and molecular structures,the good electron affinity to tune the electronic structures of other substances,the intermolecular self-assembly into superlattices,and the on-demand chemical modification have endowed fullerene with incomparable advantages as electrocatalysts that are otherwise not applicable to other carbon ma-terials.As increasing studies are being reported on this intriguing topic,it is necessary to provide a state-of-the-art overview of the recent progress.This review takes such an initiative by summarizing the promises and challenges in the electrocatalytic applications of fullerene and its derivatives.The content is structured according to the composition and structure of fullerene,including intact fullerene(e.g.,fullerene composite and superlattices)and fullerene derivatives(e.g.,doped,endohedral,and disintegrated fullerene).The synthesis,characterization,catalytic mechanisms,and deficiencies of these fullerene-based materials are explicitly elaborated.We conclude it by sharing our perspectives on the key aspects that future efforts shall consider.

Enhancing Photocatalytic Performance of NH 2-UIO66 by Defective Structural Engineering

NH_(2)-UIO66(NU)is a promising photocatalyst for the reduction of Cr(VI)to low-toxic Cr(III)driven by visible light under ambient conditions.However,the main limitation in this process is the ineffi cient ligand to metal charge transfer(LMCT)of photo-excited electrons,which is caused by inherent energy gap(ΔE_(LMCT)).This study synthesized the defective NU(NUXH,where X is the molar equivalent of the modulator)with reducedΔE_(LMCT)through linkers removal via acid treatment.The electronic structure of NUX-H was systematically investigated,and the results indicated that the structural defects in NUX-H strongly altered the environment of the Zr atoms.Furthermore,they substantially lowered the energy of the unoccupied d orbitals(LUMO),which was benefi cial to effi cient LMCT,resulting in an improved photocatalytic activity of NUX-H toward high-concentration(100 mg/L)Cr(VI)reduction.Compared to NU with defect-free structure,the reducing rate of Cr(VI)was increased by 47 times.This work introduced an alternative strategy in terms of designing effi cient photocatalysts for reducing Cr(VI)under ambient conditions.

Quantitative determination of anti-structured defects applied to alloys of a wide chemical range

Anti-structured defects bridge atom migration among heterogeneous sublattices facilitating diffusion but could also result in the collapse of ordered structure.Component distribution Ni（75）AlxV（25-x） alloys are investigated using a microscopic phase field model to illuminate relations between anti-structured defects and composition,precipitate order,precipitate type,and phase stability.The Ni（75）AlxV（25-x） alloys undergo single Ni3V（stage Ⅰ）,dual Ni3Al and Ni3V（stage Ⅱ with Ni3V prior;and stage Ⅲ with Ni3Al prior）,and single Ni3Al（stage Ⅳ） with enhanced aluminum level.For Ni3V phase,anti-structured defects（V（Ni1）,Niy,except V（Ni2）） and substitution defects（Al（Ni1）,Al（Ni2）,Alv） exhibit a positive correlation to aluminum in stage I,the positive trend becomes to negative correlation or smooth during stage Ⅱ.For Ni3 Al phase,anti-structured defects（Al（Ni）,Ni（Al）） and substitution defects（V（Ni）,V（Al）） have a positive correlation to aluminum in stage Ⅱ,but Ni（Al） goes down since stage Ⅲ and lasts to stage Ⅳ.V（Ni） and V（Al） fluctuate when Ni3Al precipitates prior,but go down drastically in stageⅣ.Precipitate type conversion of single Ni3V/dual（Ni3V＋Ni3Al） affects Ni3V defects,while dual（Ni3V＋Ni3Al）/single Ni3 Al has little effect on Ni3Al defects.Precipitate order swap occurred in the dual phase region affects on Ni3Al defects but not on Ni3V.

A Novel Compact Highly Isolated UWB MIMO Antenna with WLAN Notch

This paper presents a compact Multiple Input Multiple Output(MIMO)antenna with WLAN band notch for Ultra-Wideband(UWB)applications.The antenna is designed on 0.8mmthick low-cost FR-4 substrate having a compact size of 22mm×30 mm.The proposed antenna comprises of two monopole patches on the top layer of substrate while having a shared ground on its bottom layer.The mutual coupling between adjacent patches has been reduced by using a novel stub with shared ground structure.The stub consists of complementary rectangular slots that disturb the surface current direction and thus result in reducing mutual coupling between two ports.A slot is etched in the radiating patch for WLAN band notch.The slot is used to suppress frequencies ranging from 5.1 to 5.9 GHz.The results show that the proposed antenna has a very good impedance bandwidth of|S11|<−10 dB within the frequency band from 3.1–14 GHz.A low mutual coupling of less than−23 dB is achieved within the entire UWB band.Furthermore,the antenna has a peak gain of 5.8 dB,low ECC<0.002 and high Diversity Gain(DG>9.98).

Isolation Enhancement in a Compact Four-Element MIMO Antenna for Ultra-Wideband Applications

Mutual coupling reduction or isolation enhancement in antenna arrays is an important area of research as it severely affects the performance of an antenna.In this paper,a new type of compact and highly isolated Multiple-Input-Multiple-Output(MIMO)antenna for ultra-wideband(UWB)applications is presented.The design consists of four radiators that are orthogonally positioned and confined to a compact 40×40×0.8 mm3 space.The final antenna design uses an inverted L shape partial ground to produce an acceptable reflection coefficient(S11<−10 dB)in an entire UWB band(3.1–10.6)giga hertz(GHz).Moreover,the inter-element isolation has also been enhanced to>20 db for majority of the UWB band.The antenna was fabricated and tested with the vector network analyzer(VNA)and in an anechoic chamber for scattering parameters and radiation patterns.Furthermore,different MIMO diversity performance metrics are also measured to validate the proposed model.The simulation results and the experimental results from the constructed model agree quite well.The proposed antenna is compared with similar designs in recently published literature for various performance metrics.Because of its low envelope correlation coefficient(ECC<0.1),high diversity gain(DG>9.99 dB),peak gain of 4.6 dB,reduced channel capacity loss(CCL<0.4 b/s/Hz),and average radiation efficiency of over 85%,the proposed MIMO antenna is ideally suited for practical UWB applications.

Defected Ground Structure Multiple Input-Output Antenna For Wireless Applications

In this paper,the investigation of a novel compact 2×2,2×1,and 1×1 Ultra-Wide Band(UWB)based Multiple-Input Multiple-Output(MIMO)antenna with Defected Ground Structure(DGS)is employed.The proposed Electromagnetic Radiation Structures(ERS)is composed of multiple radiating elements.These MIMO antennas are designed and analyzed with and without DGS.The feeding is introduced by a microstrip-fed line to significantly moderate the radiating structure’s overall size,which is 60×40×1 mm.The high directivity and divergence characteristics are attained by introducing the microstripfed lines perpendicular to each other.And the projected MIMO antenna structures are compared with others by using parameters like Return Loss(RL),Voltage Standing Wave Ratio(VSWR),Radiation Pattern(RP),radiation efficiency,and directivity.The same MIMO set-up is redesigned with DGS,and the resultant parameters are compared.Finally,the Multiple Input and Multiple Output Radiating Structures with and without DGS are compared for result considerations like RL,VSWR,RP,radiation efficiency,and directivity.This projected antenna displays an omnidirectional RP with moderate gain,which is highly recommended for human healthcare applications.By introducing the defected ground structure in bottom layer the lower cut-off frequencies of 2.3,4.5 and 6.0 GHz are achieved with few biological effects on radio propagation in human body communications.The proposed design covers numerous well-known wireless standards,along with dual-function DGS slots,and it can be easily integrated into Wireless Body Area Networks(WBAN)in medical applications.This WBAN links the autonomous nodes that may be situated either in the clothes,on-body or beneath the skin of a person.This system typically advances the complete human body and the inter-connected nodes through a wireless communication channel.

Modified NiFe-MOF with defects induced by-NH_(2)and-SH for enhanced adsorption and photocatalytic reduction of CO_(2)

In this study,a Ni-Fe metal-organic framework modified by-NH_(2)and-SH was synthesized using a sim-ple hydrothermal process for enhancing photocatalytic CO_(2)reduction.As expected,the N2S-NiFe(NH_(2)-BDC/H_(4)DSBDC,2:1)displayed excellent photocatalytic CO_(2)reduction activity and high CO selectivity(12,412.23μmol g^(−1)h^(−1))under visible light irradiation(λ≥420 nm),which is 5 times that of NiFe-MOF.Notably,the excellent photocatalytic performance of N2S-NiFe can benefit from the rich defect trap site caused by the introduction of amino and sulfhydryl groups,accelerating charge transfer and promoting space charge separation,as supported by the photo-electrochemical properties.To better understand the CO_(2)adsorption mechanism,density functional theory calculations were performed,which revealed that the Niov site has more negative adsorption energy compared with the Feov site.This study provides a simple strategy to establish efficient photocatalysts for CO_(2)reduction through the modification of organic ligands.

Fluoride-mediated nano-sized high-silica ZSM-5 as an ultrastable catalyst for methanol conversion to propylene

Fluoride mediated nano-sized ZSM-5 （ZSM-5-F） with a high Si/AI ratio of 181 was fabricated using a seed-induction method and evaluated the catalysis of the methanol to propylene （MTP） reaction. High propylene selectivity （45%） was similar to ZSM-5-OH synthesized via a hydroxide route. However, ZSM- 5-F showed much longer lifetime （305 h） compared with ZSM-5-OH （157 h） in spite of similar crystal size and aluminum content. Characterization by NH3-TPD. Py-IR, OH-IR, SEM, TG-DTA, XRD and 1H MAS NMR techniques indicated that the enhanced catalytic performance of ZSM-S-F is attributed to the fewer structural defects in the form of internal silanol groups and silanol nests.

Model Building and Anisotropy of PrFeB Permanent Magnetic Materials

This paper considers that the crystal grains of HDDR Pr2Fe14B permanent magnetic material are cubic, the size is 0.3 μm, and the crystal grains are in simple cubic accumulation. It is considered that there are boundary phases between grains. It is assumed that the boundary phases are non-magnetic phases with the thickness of d, and evenly distributed between grains. The anisotropy expression of single grain boundary is given considering structure defect and intergranular exchange coupling interaction. Based on micro-magnetic simulation calculation, the variation of the average anisotropy of a single grain with the structural defects and boundary phases was calculated. The results show that when the thickness of structural defects is constant, the average anisotropy of a single grain decreases with increasing of grain boundary phase thickness, and while the thickness of grain boundary phase is constant, it also decreases with increasing of structural defect thickness.

Simulation Analysis and Experimental Study of Defect Detection Underwater by ACFM Probe

This article studies the application of the alternating current field measurement （ACFM） method in defect detection for underwater structures. Numerical model of the ACFM system is built for structure surface defect detection in seawater environment. Finite element simulation is performed to investigate rules and characteristics of the electromagnetic signal distribution in the defected area. In respect of the simulation results, underwater artificial crack detection experiments are designed and conducted for the ACFM system. The experiment results show that the ACFM system can detect cracks in underwater structures and the detection accuracy is higher than 85%. This can meet the engineering requirement of underwater structure defect detection. The results in this article can be applied to establish technical foundation for the optimization and development of ACFM based underwater structure defects detection system.

V-Shaped Monopole Antenna with Chichena Itzia Inspired Defected Ground Structure for UWB Applications

Due to rapid growth in wireless communication technology,higher bandwidth requirement for advance telecommunication systems,capable of operating on two or higher bands with higher channel capacities and minimum distortion losses is desired.In this paper,a compact Ultra-Wideband(UWB)V-shaped monopole antenna is presented.UWB response is achieved by modifying the ground plane with Chichen Itzia inspired rectangular staircase shape.The proposed V-shaped is designed by incorporating a rectangle,and an inverted isosceles triangle using FR4 substrate.The size of the antenna is 25 mm×26 mm×1.6 mm.The proposed V-shaped monopole antenna produces bandwidth response of 3 GHz Industrial,Scientific,and Medical(ISM),Worldwide Interoperability for Microwave Access(WiMAX),(IEEE 802.11/HIPERLAN band,5G sub 6 GHz)which with an additional square cut amplified the bandwidth response up to 8 GHz ranging from 3.1 GHz to 10.6 GHz attaining UWB defined by Federal Communications Commission(FCC)with a maximum gain of 3.83 dB.The antenna is designed in Ansys HFSS.Results for key performance parameters of the antenna are presented.The measured results are in good agreement with the simulated results.Due to flat gain,uniform group delay,omni directional radiation pattern characteristics and well-matched impedance,the proposed antenna is suitable for WiMAX,ISM and heterogeneous wireless systems.