Formation Mechanism and Binding Energy for Body-Centered Cubic Structure of He^＋9 Cluster

The formation mechanism for the body-centered cubic structure of cluster is proposed and its total energy curve is calculated by the method of a Modified Arrangement Channel Quantum Mechanics. The energy is the function of separation R between the nuclei at the center and an apex of the body-centered cubic structure. The result of the calculation shows that the curve has a minimal energy . The binding energy of with respect to was calculated to be 0.8857 a.u. This means that the cluster ofmay be formed in the body-centered cubic structure of .

Interstitially carbon-alloyed refractory high-entropy alloys with a body-centered cubic structure

The introduction of carbon interstitials into high-entropy alloys(HEAs)provides an effective way to improve their properties.However,all such HEA systems explored so far are limited to those with the face-centered-cubic(fcc)structure.Here we report the structural,mechanical and physical properties of the refractory(Nb_(0.375)Ta_(0.25)Mo_(0.125)W_(0.125)Re_(0.125))_(100−x)C_(x) HEAs over a wide x range of 0≤x≤20.It is found that,whereas the starting HEA(x=0)is composed of a major body-centered-cubic(bcc)phase with significant impurities,the bcc phase fraction increases with the C concentration and achieves almost 100%at x=20.Moreover,the increase of C content x results in an expansion of the bcc lattice,an enhancement of the microhardness,an increase in residual resistivity and a small variation of density of states at the Fermi level.All these features are consistent with the expectation that carbon atoms occupy the interstitial site.For x≥11.1,the X-ray photoelectron spectroscopy indicates the bond formation between the carbon and metal atoms,suggesting that some carbon atoms may also reside in the lattice site.In addition,a semiquantitative analysis shows that the enhanced mixing entropy caused by carbon addition plays a key role in stabilizing the(nearly)single solid-solution phase.Our study not only provides the first series of carbon interstitial HEAs with a bcc structure,but also helps to better understand the alloying behavior of carbon in refractory HEAs.

Displacement Response Reconstruction of Slender Flexible Structures Based on Cubic Spline Fitting Method

How to reconstruct a dynamic displacement of slender flexible structures is the key technology to develop smart structures and structural health monitoring(SHM), which are beneficial for controlling the structural vibration and protecting the structural safety. In this paper, the displacement reconstruction method based on cubic spline fitting is put forward to reconstruct the dynamic displacement of slender flexible structures without the knowledge of modeshapes and applied loading. The obtained strains and displacements are compared with the results calculated by ABAQUS to check the method's validity. It can be found that the proposed method can accurately identify the strains and displacement of slender flexible structures undergoing linear vibrations, nonlinear vibrations, and parametric vibrations. Under the concentrated force, the strains of slender flexible structures will change suddenly along the axial direction. With locally densified measurement points, the present reconstruction method still works well for the strain concentration problem.

Analysis of Transition Mechanism of Cubic Boron Nitride Single Crystals under High Pressure-High Temperature with Valence Electron Structure Calculation

The possibilities of hexagonal boron nitride(hBN) and lithium boron nitride(Li_3BN_2) transition into cubic boron nitride(cBN) under synthetic pressure 5.0 GPa and synthetic temperature 1700 K are analyzed with the use of the empirical electron theory of solids and molecules. The relative differences in electron density are calculated for dozens of bi-phase interfaces hBN/cBN, Li_3BN_2/cBN. These relative differences of hBN/cBN are in good agreement with the first order of approximation(<10%), while those of Li_3BN_2/cBN are much greater than 10%.This analysis suggests that Li_3BN_2 is impossible to be intermediate phase but is a catalyst and cBN should be directly transformed by hBN.

Mechanical Properties and Energy Absorption of Integrated AlSi10Mg Shell Structures with BCC Lattice Infill

Shell-infill structures comprise an exterior solid shell and an interior lattice infill,whose closed features yield superior comprehensive mechanical performance and light weight.Additive manufacturing(AM)can ensure the fabrica-tion of complex structures.Although the mechanical behaviors of lattice structures have been extensively studied,the corresponding mechanical performances of integrated-manufactured shell structures with lattice infills should be systematically investigated due to the coupling effect of the exterior shell and lattice infill.This study investigated the mechanical properties and energy absorption of AlSi10Mg shell structures with a body-centered cubic lattice infill fabricated by AM.Quasi-static compressive experiments and corresponding finite element analysis were conducted to investigate the mechanical behavior.In addition,two different finite element modeling methods were compared to determine the appropriate modeling strategy in terms of deformation behavior.A study of different parameters,including lattice diameters and shell thicknesses,was conducted to identify their effect on mechanical performance.The results demonstrate the mechanical advantages of shell-infill structures,in which the exterior shell strengthens the lattice infill by up to 2.3 times in terms of the effective Young’s modulus.Increasing the infill strut diameter can improve the specific energy absorption by up to 1.6 times.

Structure evolution of cubic boron nitride under spark plasma sintering

Cubic boron nitride(CBN) micro powders and mixture of CBN micro powders with Al or Ti powders were fast heated at 1 300,1 400,1 450,1 500℃,and then kept for 5 min under spark plasma sintering (SPS).The obtained powders were analyzed with XRD.The results show that,simple CBN kept cubic structure after heated at 1 300℃;when the temperature rose to 1 400℃,some CBN was transformed into hexagonal structured boron nitride(hBN).As for CBN micro powders mixed with aluminum or titanium micro powders,the onset transforming temperature of CBN to hBN get raised.This results indicated that the structural transformation of boron nitride begun from the surface of CBN crystal particle,different coexist elements affect the surface situation of CBN particles.As the stabilities of CBN crystal particle surface improved,the onset structural transform temperature of CBN was also increased.

Cubic Mesoporous Aluminosilicate with Primary Structure Units of Zeolite Beta in the Pore Wall

Mesoporous aluminosilicate with cubic ordered structure was synthesized by two-step crystallization, which showed stronger acid sites and more effective activity for catalytic alkylation of 2, 4-ditert-butylphenol with tert-butanol than conventional H-AlMCM-48 materials.

LOCAL TOPOLOGICAL STRUCTURE OF THE PLANE CUBIC SYSTEM IN THE UNDETERMINED SIGN CASE

In this paper we discuss the topological structure near the singular point O (0,0) of the plane cubic system in the undetermined sign case, and give their coefficient conditions.

Metastable Face-Centered Cubic Structure and Structural Transition of Sn on 2H-NbSe2(0001)

Surface structures and properties of Sn islands grown on superconducting substrate 2H-NbSe2（0001）are studied using low temperature scanning tunneling microscopy or spectroscopy.The pure face-centered cubic（fee）structure of Sn surface is obtained.Superconductivity is also detected on the fcc-Sn（111）surface,and the size of superconducting gap on the Sn surface is nearly the same as that on the superconducting substrate.Furthermore,phase transition occurs from fcc-Sn（111）toβ-Sn（001）by keeping the sample at room temperature for a certain time.Due to the strain relaxation on theβ-Sn islands,both the in-plane unit cell and out-of-plane structures distort,and the height of surface atoms varies periodically to form a universal ripple structure.

Analytical solutions for equivalent elastic compliance of cubic lattice structures subjected to hypergravity conditions

In order to comprehensively understand the mechanical behavior of biological entities and aerospace applications subjected to hypergravity environments,we delve into the impact of hypergravity on the equivalent compliance of cubic lattice structures.Capitalizing on the periodic spatial distribution,we employ a unit cell methodology to deduce the homogenized stress-strain relationship for the lattice structures,subsequently obtaining the associated equivalent compliance.The equivalent compliance can be conveniently reduced to instances without hypergravity influence.Furthermore,numerical simulations are executed to validate the derivations and to illustrate that hypergravity indeed affects the mechanical properties of lattice structures.We introduce a non-dimensional hypergravity factor,which quantifies the impact of hypergravity magnitude relative to the Young’s modulus of the base material.Our findings reveal that the hypergravity factor influences perpendicular compliance quadratically and parallel compliance linearly.Simultaneously,the perpendicular shear compliance remains unaffected,whereas the parallel shear compliance experiences an inverse effect.Additionally,the lattice structure transforms into a gradient material oriented in the hypergravity direction,consequently generating a scale effect.

Microstructure and Properties of Gradient Cemented Carbide with Nano-TiN

Gradient cemented carbides with nano-TiN were prepared by the common powder metallurgical procedure. The formation of gradient zone and the microstructure, properties of the alloys were investigated using scanning electron microscope（SEM）, energy dispersive spectroscopy（EDS） and other performance testing apparatus. Moreover, the effect of nano-TiN on the gradient cemented carbide was studied. It is found that gradient zone width increases slightly with nano-TiN introduction. Both cobalt and titanium concentrations reach the maximum near the gradient border. Tungsten concentration shows fluctuation from the surface to the bulk. （Ti ,W）C phase grains are refined for nitrogen introduction. Core-rim structure has been observed under the SEM back-scattered mode. The core appears as dark due to more titanium in it and the rim with more tungsten appears as grey. In addition, the hardness and transverse rupture strength of gradient cemented carbide are enhanced with nano-TiN introduced.

Structural, electronic, and mechanical properties of cubic TiO_2:A first-principles study

We present an analysis of structural, electronic, and mechanical properties of cubic titanium dioxide （TiO2） using an all electron orthogonalzed linear combinations of atomic orbitals （OLCAO） basis set under the framework of density functional theory （DFT）. The structural property, especially the lattice constant a, and the electronic properties such as the band diagram and density of states （DOS） are studied and analyzed. The mechanical properties such as bulk moduli, shear moduli, Young＇s Moduli, and Poison＇s ratio are also investigated thoroughly. The calculations are carried out on shear moduli and anisotropy factor for cubic TiO2. The Vickers hardness is also tested for fluorite and pyrite cubic-structured TiO2. Furthermore, the results are compared with the previous theoretical and experimental results. It is found that DFT- based simulation produces results which are approximation to experimental results, whereas the calculated elastic constants are better than the previous theoretical and experimental values.

Structure and Magnetostriction of Dy_(0.9-x)Tb_(x)Pr_(0.1)Fe_(1.85) and Dy_(0.9-x)Tb_(x)Pr_(0.1)(Fe_(0.95)Al_(0.05))_(1.8) Alloys

The structure and inagnetostriction of Dy_(0.9-x)Tb_(x)Pr_(0.1)Fe_(1.85) and Dy_(0.9-x)Tb_(x)Pr_(0.1)(Fe_(0.95)Al_(0.05))_(1.8) alloys were investigated.These alloys are substantially single phase with MgCu2-type cubic structure.The lattice parameter and Curie temperature of Dy_(0.9-x)Tb_(x)Pr_(0.1)(Fe_(0.95)Al_(0.05))_(1.8) alloys increase steadily with increasing Th content.Tb dependence of magnetostnction in various applied fields for poly crystalline Dy_(0.9-x)Tb_(x)Pr_(0.1)Fe_(1.85) alloys exhibits a peak at x=0.25.The magnetostric-tion of polycrystalline Dy_(0.9-x)Tb_(x)Pr_(0.1)(Fe_(0.95)Al_(0.05))_(1.8) alloys in high applied fields(H>160 kA/m)and in low applied Helds(H≤160 kA/m)exhibits a peak at x=0.3 and x=0.25,respectively.

Perturbation Analysis of Structured Least Squares Problems and Its Application in Calibration of Interest Rate Term Structure

A structured perturbation analysis of the least squares problem is considered in this paper.The new error bound proves to be sharper than that for general perturbations. We apply the new error bound to study sensitivity of changing the knots for curve fitting of interest rate term structure by cubic spline.Numerical experiments are given to illustrate the sharpness of this bound.

Mass-Stiffness Templates for Cubic Structural Elements Dedicated to Professor Karl Stark Pister for his 95th birthday

1 This paper considers Lagrangian finite elements for structural dynamics constructed with cubic displacement shape functions.The method of templates is used to investigate the construction of accurate mass-stiffness pairs.This method introduces free parameters that can be adjusted to customize elements according to accuracy and rank-sufficiency criteria.One-and two-dimensional Lagrangian cubic elements with only translational degrees of freedom(DOF)carry two additional nodes on each side,herein called side nodes or SN.Although usually placed at the third-points,the SN location may be adjusted within geometric limits.The adjustment effect is studied in detail using symbolic computations for a bar element.The best SN location is taken to be that producing accurate approximation to the lowest natural frequencies of the continuum model.Optimality is investigated through Fourier analysis of the propagation of plane waves over a regular infinite lattice of bar elements.Focus is placed on the acoustic branch of the frequency-vs.-wavenumber dispersion diagram.It is found that dispersion results using the fully integrated consistent mass matrix(CMM)are independent of the SN location whereas its lowfrequency accuracy order is O(κ8),whereκis the dimensionless wave number.For the diagonally lumped mass matrix(DLMM)constructed through the HRZ scheme,two optimal SN locations are identified,both away from third-points and of accuracy order O(κ8).That with the smallest error coefficient corresponds to the Lobatto 4-point integration rule.A special linear combination of CMM and DLMM with nodes at the Lobatto points yields an accuracy of O(κ10)without any increase in the computational effort over CMM.The effect of reduced integration(RI)on both mass and stiffness matrices is also studied.It is shown that singular mass matrices can be constructed with 2-and 3-point RI rules that display the same optimal accuracy of the exactly integrated case,at the cost of introducing spurious modes.The optimal SN location in two-dimensional,bicubic,isoparametric plane stress quadrilateral elements is briefly investigated by numerical experiments.The frequency accuracy of flexural modes is found to be fairly insensitive to that position,whereas for bar-like modes it agrees with the one-dimensional results.

基于立方Farrow结构的插值细搜频偏估计算法

在高动态通信环境中,由相对运动引起的多普勒频移会在接收机下变频所得的基带信号中引入残留频偏,致使基带信号的相位发生偏离。对频偏进行精确估计是提升高动态环境通信质量的重要途径。传统方法通常通过对快速傅里叶变换(Fast Fourier Transform,FFT)后所得频谱进行一维搜索来估计载波频偏值,只能估计整数倍频点。为了进一步提高频偏估计的精度,本文提出了一种基于立方Farrow结构的插值细搜(Interpolation Detail Search, IDS)算法。仿真结果表明,此算法仅在16倍插值条件下就得到了逼近克拉美罗界(Cramer-Rao Bounds,CRB)的频偏估计性能,信噪比精度损失仅为1.2 dB,具有良好的估计性能。

改进立方旋转模具载体连接件的性能分析与结构优化

随着制造业的快速发展和技术创新的不断推进,立方旋转模具作为关键的生产工具在生产线上扮演着至关重要的角色.为确保其安全性、可靠性和合规性并减少潜在的故障和损坏,有必要对其载体和连接件进行强度校核和疲劳寿命分析.为了进一步改善螺纹套在一级螺纹处的应力集中现象并提升其工作寿命,本文基于静力分析结果,采用Central Composite响应曲面试验设计方法探究了螺纹套外螺纹梯形齿底宽、梯形齿高、梯形齿锐角对螺纹套最大变形和最大等效应力的综合影响,获得了该工况下的最优解.结果表明,在强度和疲劳寿命均满足设计要求的基础上,螺纹套结构变形降低了3.1%,等效应力减小了3.1%,寿命提升了20.6%,同时也提高了优化设计效率,为改进其他模具连接件的结构提供了理论参考.

衍生体心立方点阵材料的优化设计及压缩力学行为

分别在传统体心立方(BCC)点阵结构(H0型)的外围以及外围和中心添加竖直杆,设计出H1型和H2型衍生BCC点阵结构,以AlSi10Mg合金粉末为原料采用激光选区熔化(SLM)技术制备出不同尺寸参数的点阵试样,研究了其压缩力学行为。结果表明:传统和衍生BCC点阵试样的压缩行为均具有线弹性阶段、平台阶段、致密化阶段等3个阶段,属拉伸主导型多孔材料;相同尺寸参数下,H2型BCC点阵试样的比强度、平台应力和单位质量吸能最大,H1型次之,H0型最小。随着单胞高度增加,H1型点阵试样的比强度和单位质量吸能基本不变,平台应力起伏略微增大,能量吸收效率小幅减小;随着单胞宽度增加,H1型点阵试样的比强度、平台应力和单位质量吸能明显降低,能量吸收效率不变;随着斜杆及外围竖直杆杆径增加,H1型点阵试样的比强度、平台应力和单位质量吸能明显增大,能量吸收效率先明显提升后趋于稳定。随着中心竖直杆杆径增加,H2型点阵试样的比强度、平台应力和单位质量吸能增大,能量吸收效率提升。衍生点阵试样的变形模式主要为由下到上的逐层变形,损伤机制为竖直杆的侧向弯曲和斜杆的垂直方向弯曲。

低成本Fe_(60)(CoCrNiMn)_(40)富铁中熵合金的显微组织与性能

通过增加CoCrFeMnNi合金中的铁含量,制备了低成本富铁中熵合金Fe_(60)(CoCrNiMn)_(40)(原子分数/%),对其进行了1200℃×3 h均匀化处理、轧制和900℃×1 h退火处理,研究了该合金的显微组织、拉伸性能及耐腐蚀性能等。结果表明:试验合金由面心立方结构的单一奥氏体相组成,再结晶晶粒大小均匀,平均晶粒尺寸约为17.8μm,再结晶晶粒内出现退火孪晶;试验合金在室温下表现出优异的拉伸性能和应变硬化能力以及在NaCl溶液中显著的自钝化行为和优异的耐腐蚀性能,其抗拉强度为603 MPa,屈服强度为226 MPa,断后伸长率为81.6%,在NaCl溶液中的自腐蚀电位为-0.4616 V,自腐蚀电流密度为2.74×10^(-6) A·cm^(-2),电荷转移电阻为2.94×10^(5)Ω·cm^(2);与其他富铁多组分合金相比,试验合金的抗拉强度和断后伸长率更大,塑性应变高出10%以上,自腐蚀电流密度更低。试验合金的拉伸断口由均匀分布的韧窝组成,拉伸断裂方式为韧性断裂;在NaCl溶液中电化学腐蚀后,试验合金表面出现明显腐蚀坑,电化学腐蚀方式主要为点蚀。

基于体心立方结构的磁流变抛光表面粗糙度模型及试验验证

基于体系最小能量理论及抛光中的能量传递原理,建立了基于体心立方结构的磁流变抛光表面粗糙度预测模型,分析不同参数对粗糙度的影响,并与传统模型相比较。结果表明:体心立方结构能更准确地表征挤剪模式下磁流变抛光液的微观结构及剪切屈服应力,表面粗糙度预测模型与试验结果具有更好的一致性,预测结果更准确;粗糙度受加工时长、磁场强度和主轴转速影响较大,当主轴转速达到1400 r/min后由于高剪切速率作用下磁流变液的剪切稀化效应,抛光效果反而降低。