Atomistic simulation of thermal effects and defect structures during nanomachining of copper

Molecular dynamics （MD） simulations of monocrystalline copper （100） surface during nanomachining process were performed based on a new 3D simulation model. The material removal mechanism and system temperature distribution were discussed. The simulation results indicate that the system temperature distribution presents a roughly concentric shape, a steep temperature gradient is observed in diamond cutting tool, and the highest temperature is located in chip. Centrosymmetry parameter method was used to monitor defect structures. Dislocations and vacancies are the two principal types of defect structures. Residual defect structures impose a major change on the workpiece physical properties and machined surface quality. The defect structures in workpiece are temperature dependent. As the temperature increases, the dislocations are mainly mediated from the workpiece surface, while the others are dissociated into point defects. The relatively high cutting speed used in nanomachining results in less defect structures, beneficial to obtain highly machined surface quality.

Structure design and electrochemical properties of carbon-based single atom catalysts in energy catalysis:A review

Single atom catalysts(SACs) possessing regulated electronic structure, high atom utilization, and superior catalytic efficiency have been studied in almost all fields in recent years. Carbon-based supporting SACs are becoming popular materials because of their low cost, high electron conductivity, and controllable surface property. At the stage of catalysts preparation, the rational design of active sites is necessary for the substantial improvement of activity of catalysts. To date, the reported design strategies are mainly about synthesis mechanism and synthetic method. The level of understanding of design strategies of carbon-based single atom catalysts is requiring deep to be paved. The design strategies about manufacturing defects and coordination modulation of catalysts are presented. The design strategies are easy to carry out in the process of drawing up preparation routes. The components of carbon-based SACs can be divided into two parts: active site and carbon skeleton. In this review, the manufacture of defects and coordination modulation of two parts are introduced, respectively. The structure features and design strategies from the active sites and carbon skeletons to the overall catalysts are deeply discussed.Then, the structural design of different nano-carbon SACs is introduced systematically. The characterization of active site and carbon skeleton and the detailed mechanism of reaction process are summarized and analyzed. Next, the applications in the field of electrocatalysis for oxygen conversion and hydrogen conversion are illustrated. The relationships between the superior performance and the structure of active sites or carbon skeletons are discussed. Finally, the conclusion of this review and prospects on the abundant space for further promotion in broader fields are depicted. This review highlights the design and preparation thoughts from the parts to the whole. The detailed and systematic discussion will provide useful guidance for design of SACs for readers.

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.

Regulating Anderson localization with structural defect disorder

Localization due to disorder has been one of the most intriguing theoretical concepts that evolved in condensed matter physics.Here,we expand the theory of localization by considering two types of disorders at the same time,namely,the original Anderson’s disorder and the structural defect disorder,which has been suggested to be a key component in recently discovered two-dimensional amorphous materials.While increasing the degree of both disorders could induce localization of wavefunction in real space,we find that a small degree of structural defect disorder can significantly enhance the localization.As the degree of structural defect disorder increases,localized states quickly appear within the extended phase to enter a broad crossover region with mixed phases.We establish two-dimensional diagrams for the wavefunction localization and conductivity to highlight the interplay between the two types of disorders.Our theoretical model provides a comprehensive understanding of localization in two-dimensional amorphous materials and highlights the promising tunability of their transport properties.

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.

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.

Comparison of Characteristics of Periodic and Non-Periodic Defected Ground Structures

The filter characteristic of defected ground structure (DGS) is analyzed and the equivalent circuit of C-shaped DGS is extracted. The characteristics of non-periodic and periodic DGS with different dimensions are compared. Then the DGS is simulated and optimized with software, and the circuit board is manufactured and measured.The non-periodic structure is simple in structure and small in size and ripple compared with the periodic structure.Though the stop band of the non-periodic structure is narrow, it can meet the requirement of application. The C-shaped structure with two stop bands can select frequency in a special band.

Dislocation Structures in a BulkPb－doped Bi－SrCa－Cu－O High Temperature Superconductor

Dislocation structures in a bulk Pb-doped Bi Sr- Ca- Cu- O high temperature superconductor wereimaged. Dislocation morphologies shown by transmission electron microscopy were discussed.

Theoretical Studies of g Factors and Defect Structures for Cubic, Tetragonal, and Orthorhombic Fe^＋ Centers in Alkali Halides MX （M=Li, Na; X = F, C1）

The EPR 9 factors for cubic, tetragonal and orthorhombic Fe^＋ centers in alkali halides MX （M= Li, Na; X = F, CI） are calculated from second-order perturbation formulas of g factors based on cluster approach for 3d^7 ions in three symmetries. From calculations, the g factors of these Fe^＋ centers in MX crystals are reasonably explained and the defect structural data for the tetragonal and orthorhombic Fe^＋ centers are estimated. The results are discussed.

Bearing Capacity of Defective Reinforced Concrete Pile in Sand-model Study

Concrete piles that were poorly constructed or analyzed in their soil analyses may have structural or geotechnical defects.To examine such defects,an experimental study was conducted to investigate how a defective reinforced concrete pile behaved.These piles were installed and subjected to a compression axial load in the sand that had relative densities of 30%,60%,and 80%.The tests were performed using four concrete model piles:one intact pile and the other three piles had a structural defect(necking)at three different positions of the pile at(0.25 L from the top,center,and 0.25 L bottom).Geotechnical defect(soft layer or debris)was studied using Styrofoam layer at various vertical distances under the pile toe with Y/D=(0,0.5,1 and 1.5)D.The test results showed that the bearing capacity of the structural defect was the most in the case of a neck at 0.25 L from the bottom,followed by a neck at the center,and finally a neck at 0.25 L from the top.In the case of a geotechnical defect,the bearing capacity of the pile decreased with the decrease of the vertical distance between the soft layer and the pile toe.

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.

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.

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.

Novel S-slot DGS with high quality factor

In order to solve the problem that the quality factor （ Q factor） of the conventional defected ground structure （DGS）is not high and cannot produce a sharp resonant band, a novel S-slot DGS is presented. Compared with the conventional DGS, the proposed S-slot DGS has a much higher Q factor, a quite simpler layout and a steeper band rejection. Its equivalent circuit model is extracted by analyzing the transfer characteristics, and design parameters are calculated according to the deducted equations. Characteristics of this type of DGS are investigated with variable dimension parameters and an experiential method for the design of the S-slot DGS is summarized. Finally, a sample of a compact S-slot DGS unit resonated at 4. 64 GHz is fabricated. Its Q factor is as high as 39. 66 and its size is only 5.00 mm × 1.40 mm, with a steep resonant band and a low insertion-loss passband. The measured results show a good agreement with simulation, which demonstrates the applicability of the S-slot DGS in practical engineering.

TDFAD APPROACH TO HIGH TEMPERATURE DEFECT ASSESSMENT AND ITS ENGINEERING APPLICATION

From the idea of failure of defective structures at high temperature beingcontrolled by two mechanisms: fast fracture due to creep crack growth initiating at the crack tipand creep rupture on the weakened section, a time-dependent failure assessment diagram (TDFAD) isdeveloped on the basis of the time dependent crack tip parameter J integral. According to theproposed TDFAD method, detailed crack initiation and creep crack growth analysis is avoided insafety assessments of high temperature structures by performing simple calculations of stressintensity factor and limit load. To evaluate the creep toughness parameter K_(mat), three differentexpressions are suggested on the basis of experimental load-line displacement, creep crackinitiation and growth parameters as well as the isochronous stress-strain curve. The influence ofservice factors such as temperature and service-time on the proposed TDFAD is discussed by using theproperties of 2.25CrlMo steel and an example is also presented to illustrate the approach.

Metamaterial-Based Compact Antenna with Defected Ground Structure for 5G and Beyond

In this paper,a unit cell of a single-negative metamaterial structure loaded with a meander line and defected ground structure(DGS)is investigated as the principle radiating element of an antenna.The unit cell antenna causes even or odd mode resonances similar to the unit cell structure depending on the orientation of the microstrip feed used to excite the unit cell.However,the orientation which gives low-frequency resonance is considered here.The unit cell antenna is then loaded with a meander line which is parallel to the split bearing side and connects the other two sides orthogonal to the split bearing side.This modified structure excites another mode of resonance at high frequency when a meander line defect is loaded on the metallic ground plane.Specific parameters of the meander line structure,the DGS shape,and the unit cell are optimized to place these two resonances at different frequencies with proper frequency intervals to enhance the bandwidth.Finally,the feed is placed in an offset position for better impedance matching without affecting the bandwidth The compact dimension of the antenna is 0.25λL×0.23λL×0.02λL,whereλL is the free space wavelength with respect to the center frequency of the impedance bandwidth.The proposed antenna is fabricated and measured.Experimental results reveal that the modified design gives monopole like radiation patterns which achieves a fractional operating bandwidth of 26.6%,from 3.26 to 4.26 GHz for|S11|<−10 dB and a pick gain of 1.26 dBi is realized.In addition,the simulated and measured crosspolarization levels are both less than−15 dB in the horizontal plane.

sp^(3)-like defect structure of hetero graphene-carbon nanotubes for promoting carrier transfer and stability

Three-dimensional(3 D) hybrid of nanocarbons is a very promising way to the high-performance design of electrocatalysis materials.However,sp^(3)-like defect structure,a combination of high strength and conduction of graphene and carbon nanotubes(CNTs) is rarely reported.Herein,3 D neural-like hybrids of graphene(from reduced graphene oxide) and carbon nanotubes(CNTs) have been integrated via sp^(3)-like defect structure by a hydrothermal approach.The sp^(3)-like defect structure endows 3 D nanocarbon hybrids with an enhanced carrier transfer,high structural stability,and electrocatalytic durability.The neural-like structure is shown to demonstrate a cascade effect of charges and significant performances regarding bio-electrocatalysis and lithium-sulfur energy storage.The concept and mechanism of "sp^(3)-like defect structure" are proposed at an atomic/nanoscale to clarify the generation of rational structure as well as the cascade electron transfer.

Structure and Magnetic Property of Amorphous Fe-Ni Particles Prepared by Mechanical Alloying

The amorphous Fe 67.5 Ni 32.5 alloy particles have been prepared by mechanical alloying (MA) process of elemental powders. The crystallization is observed at temperature around 405°C by means of differential thermal analyzer. It is found that the coercivity H C and the effective magnetic anisotropy value of amorphous phase are not far from that of crystal phase. The magnetization behavior of amorphous and nanocrystalline samples prepared by mechanical alloying and milling process are quite similar, they obey 1/H law at middle high field and 1/H 2 at higher field. The 1/H field dependence is attributed to a large number of dislocations created during MA process. The studies on the 1/H 2 field dependence reveals that magnetization of Fe Ni ultrafine particles are governed predominantly by internal stress fields induced by MA process.