Convergence of local atomistic stress based on periodic lattice

Local stress in an atomic system, which provides an average stress measurement within a spatial volume containing a collection of atoms, is essential for determining the mechanical properties of a nanoscale structure as well as developing a proper multiscale modeling technique. Theoretically, the smaller averaging volume where a local stress can converge, the closer this atomistic stress definition can approach the ideal continuum stress. As a result, the more accurate stress concentration can be evaluated for the inhomogeneous case. With reference to the previous studies focusing on the spherical averaging volume, dependent on the type of crystals, the convergent radius of the virial stress or Hardy stress usually spans the size of several lattice constants. In this paper, we find that, once the averaging volume is periodic, the convergence of the virial stress and Hardy stress can be accomplished within one single lattice, which is much smaller than what is required by other non-periodic volumes such as a sphere. In the final section, a cracked sodium chloride crystal is considered to demonstrate that the crack opening stress described by the periodic lattices captures the stress concentration near the crack tip.     

A domain-independent interaction integral for magneto-electro-elastic materials

Magneto-electro-elastic (MEE) materials usually consist of piezoelectric (PE) and piezomagnetic (PM) phases. Between different constituent phases, there exist lots of interfaces with discontinuous MEE properties. Complex interface distribution brings a great difficulty to the fracture analysis of MEE materials since the present fracture mechanics methods can hardly solve the fracture parameters efficiently of a crack surrounded by complex interfaces. This paper develops a new domain formulation of the interaction integral for the computation of the fracture parameters including stress intensity factors (SIFs), electric displacement intensity factor (EDIF) and magnetic induction intensity factor (MIIF) for linear MEE materials. The formulation derived here does not involve any derivatives of material properties and moreover, it can be proved that an arbitrary interface in the integral domain does not affect the validity and the value of the interaction integral. Namely, the interaction integral is domain-independent for material interfaces and thus, its application does not require material parameters to be continuous. Due to this advantage, the interaction integral becomes an effective approach for extracting the fracture parameters of MEE materials with complex interfaces. Combined with the extended finite element method (XFEM), the interaction integral is employed to solve several representative problems to verify its accuracy and domain-independence. Good results show the effectiveness of the present method in the fracture analysis of MEE materials with continuous and discontinuous properties. Finally, the particulate MEE composites composed of PE and PM phases are considered and four schemes of different property-homogenization level are proposed for comparing their effectiveness.     

改进的强跟踪UKF算法及其在INS/GPS组合导航中的应用

针对标准UKF缺乏对系统状态异常的自适应调整能力,导致滤波精度降低的问题,提出一种改进的强跟踪UKF算法。该算法采用假设检验的方法对异常状态进行检测,当系统状态发生异常时,对预测协方差阵引入次优渐消因子自适应的调整滤波增益,实现对系统真实状态的强跟踪。该算法中次优渐消因子的确定无需计算系统模型的雅克比矩阵,提高了传统强跟踪UKF的实用性。将提出的算法应用于INS/GPS组合导航系统进行仿真验证,并与标准UKF进行比较,结果表明,在系统状态存在异常时,提出的带单重次优渐消因子的强跟踪UKF得到的东向、北向位置误差在[-13.7 m,14.9 m]以内,带多重次优渐消因子的强跟踪UKF得到的东向、北向位置误差在[-10.0 m,12.1 m]以内,滤波性能明显优于标准UKF,提高了组合导航系统的解算精度。     

Broadband chirped InAs quantum-dot superluminescent diodes with a small spectral dip of 0.2 dB

We report on the fabrication and characterization of InAs/GaAs chirped multilayer quantum-dot superluminescent diodes (CMQD-SLDs) with and without direct Si doping in QDs. It was found that both the output power and the spectral width of the CMQD-SLDs were significantly enhanced by direct Si doping in the QDs. The output power and spectral width have been increased by approximately 18.3% and 40%, respectively. Moreover, we shortened the cavity length of the doped CMQD-SLD and obtained a spectral width of 106 nm. In addition, the maximum output power and spectral width of the CMQD-SLD doped directly with Si can be further increased to 16.6 mW and 114 nm, respectively, through anti-reflection coating and device packaging. The device exhibited the smallest spectral dip of 0.2 dB when the spectrum was widest. The improved performances of the doped CMQD-SLD can be attributed to the direct doping of Si in the QDs, optimization of device structure and device packaging.     

Microwave absorption properties regulation and bandwidth formula of oriented Y2Fe17N3-δ@SiO2/PU composite synthesized by reduction-diffusion method

As concepts closely related to microwave absorption properties, impedance matching and phase matching were rarely combined with material parameters to regulate properties and explore related mechanisms. In this work, reduction-diffusion method was innovatively applied to synthesize rare earth alloy Y$_{2}$Fe$_{17}$. In order to regulate the electromagnetic parameters of absorbers, the Y$_{2}$Fe$_{17}$N$_{3-\delta }$ particles were coated with silica (Y$_{2}$Fe$_{17}$N$_{3-\delta }$@SiO$_{2}$) and absorbers with different volume fractions were prepared. The relationship between impedance matching, matching thickness, and the strongest reflection loss peak (${\rm RL}_{\rm min}$) was presented obviously. Compared to the microwave absorption properties of Y$_{2}$Fe$_{17}$N$_{3-\delta }$/PU absorber, Y$_{2}$Fe$_{17}$N$_{3-\delta }$@SiO$_{2}$/PU absorbers are more conducive to the realization of microwave absorption material standards which are thin thickness, light weight, strong absorbing intensity, and broad bandwidth. Based on microwave frequency bands, the microwave absorption properties of the absorbers were analyzed and the related parameters were listed. As an important parameter related to perfect matching, reflection factor ($\sqrt {ărepsilon_{\rm r}/\mu_{\rm r}}$) was discussed combined with microwave amplitude attenuation. According to the origin and mathematical model of bandwidth, the formula of EAB (${\rm RL}<-10$ dB) was derived and simplified. The calculated bandwidths agreed well with experimental results.     

New behaviors of α-particle preformation factors near doubly magic 100Sn

The \begin{document}$ \alpha $\end{document}-particle preformation factors of nuclei above doubly magic nuclei \begin{document}$ ^{100} $\end{document}Sn and \begin{document}$ ^{208} $\end{document}Pb are investigated within the generalized liquid drop model. The results show that the \begin{document}$ \alpha $\end{document}-particle preformation factors of nuclei near self-conjugate doubly magic \begin{document}$ ^{100} $\end{document}Sn are significantly larger than those of analogous nuclei just above \begin{document}$ ^{208} $\end{document}Pb, and they will be enhanced as the nuclei move towards the \begin{document}$ N = Z $\end{document} line. The proton–neutron correlation energy \begin{document}$ E_{p-n} $\end{document} and two protons–two neutrons correlation energy \begin{document}$ E_{2p-2n} $\end{document} of nuclei near \begin{document}$ ^{100} $\end{document}Sn also exhibit a similar situation, indicating that the interactions between protons and neutrons occupying similar single-particle orbitals could enhance the \begin{document}$ \alpha $\end{document}-particle preformation factors and result in superallowed \begin{document}$ \alpha $\end{document} decay. This also provides evidence of the significant role of the proton–neutron interaction on \begin{document}$ \alpha $\end{document}-particle preformation. Also, the linear relationship between \begin{document}$ \alpha $\end{document}-particle preformation factors and the product of valence protons and valence neutrons for nuclei around \begin{document}$ ^{208} $\end{document}Pb is broken in the \begin{document}$ ^{100} $\end{document}Sn region because the \begin{document}$ \alpha $\end{document}-particle preformation factor is enhanced when a nucleus near \begin{document}$ ^{100} $\end{document}Sn moves towards the \begin{document}$ N = Z $\end{document} line. Furthermore, the calculated \begin{document}$ \alpha $\end{document} decay half-lives fit well with the experimental data, including the recent observed self-conjugate nuclei \begin{document}$ ^{104} $\end{document}Te and \begin{document}$ ^{108} $\end{document}Xe [Phys. Rev. Lett. 121, 182501 (2018)].     

Heparin Interacting Protein Mediated Assembly of Nano‐Fibrous Hydrogel Scaffolds for Guided Stem Cell Differentiation

A new methodology is developed to conjugate hyaluronic acid (HA) hydrogel with novel nano‐fibrous architectures via non‐covalent assembly that specifically allows for targeted adipose‐derived stem cells (ASCs) differentiation and soft tissue engineering. The assembly of non‐covalently associated hydrogel network produced via the interaction of a low molecular weight heparin (LMWH) modified HA derivative and heparin interacting protein (HIP). The multifunctional star poly(ethylene glycol) (PEG) and HIP copolymer has the capability to mediate the non‐covalent assembly of nano‐fibrous HA hydrogel networks via affinity interactions with LMWH. The effect of the HIP mediation on in vitro gelation, rheological characteristics, degradation, equilibrium swelling, adipose‐derived stem cells (ASCs) proliferation and differentiation of nano‐fibrous hydrogel is examined. The results suggest the potential utility of this unique design of the bioactive nano‐fibrous HA hydrogel in directing the differentiation of ASCs and adipogenesis in ECM‐mimetic scaffolds in vitro. These studies demonstrate that this nano‐fibrous HA hydrogel can render the formulation of a therapeutically effective platform for in vitro adipogenesis applications.

     

复方心可舒治疗冠心病多靶点作用的分子对接

心可舒为治疗冠心病的常用中药复方,临床疗效确切,但是其效应物质基础和作用机制一直没有得到明确的解释.本文以从心可舒中直接鉴定出的51个化学成分和过氧化物酶体增生物激活受体γ(PPAR-γ),血管紧张素I转化酶(ACE),羟甲基戊二酰辅酶A还原酶(HMGR),环氧合酶2(COX-2)以及凝血酶(thrombin)等5个冠心病相关靶点为研究对象,采用LibDock和AutoDock2种分子对接程序联合对接的方法对以上化学成分和靶点的相互作用进行探讨.首先用均方根偏差(RMSD)和富集因子(EF)考察了2种程序对于5个靶点受体配体结合体系的适用性,进而发现当2种程序联合使用时,各靶点的富集因子较程序单独使用时有明显的提高,因而最终使用LibDock和AutoDock联合进行筛选.计算结果表明心可舒中的葛根苷A、葛根苷B、丹酚酸A和丹酚酸C4个化合物可能作用于2个或者2个以上的靶点,另外还有8个化合物能够分别作用于5个靶点的其中1个靶点.本研究初步阐释了心可舒多靶点作用的分子机制,为心可舒的后期开发提供了一定的参考.     

Minimum SNR and acquisition for bias-free estimation of fractional anisotropy in diffusion tensor imaging - a comparison of two analytical techniques and field strengths

Although it is known that low signal-to-noise ratio (SNR) can affect tensor metrics, few studies reporting disease or treatment effects on fractional anisotropy (FA) report SNR; the implicit assumption is that SNR is adequate. However, the level at which low SNR causes bias in FA may vary with tissue FA, field strength and analytical methodology. We determined the SNR thresholds at 1.5 T vs. 3 T in regions of white matter (WM) with different FA and compared FA derived using manual region-of-interest (ROI) analysis to tract-based spatial statistics (TBSS), an operator-independent whole-brain analysis tool. Using ROI analysis, SNR thresholds on our hardware-software magnetic resonance platforms were 25 at 1.5 T and 20 at 3 T in the callosal genu (CG), 40 at 1.5 and 3 T in the anterior corona radiata (ACR), and 50 at 1.5 T and 70 at 3 T in the putamen (PUT). Using TBSS, SNR thresholds were 20 at 1.5 T and 3 T in the CG, and 35 at 1.5 T and 40 at 3 T in the ACR. Below these thresholds, the mean FA increased logarithmically, and the standard deviations widened. Achieving bias-free SNR in the PUT required at least nine acquisitions at 1.5 T and six acquisitions at 3 T. In the CG and ACR, bias-free SNR was achieved with at least three acquisitions at 1.5 T and one acquisition at 3 T. Using diffusion tensor imaging (DTI) to study regions of low FA, e.g., basal ganglia, cerebral cortex, and WM in the abnormal brain, SNR should be documented. SNR thresholds below which FA is biased varied with the analytical technique, inherent tissue FA and field strength. Studies using DTI to study WM injury should document that bias-free SNR has been achieved in the region of the brain being studied as part of quality control.     

Structural,magnetic and magnetocaloric properties of AMn1−xGaxO3 compounds with 0≤x≤0.2

Structural, magnetic and magnetocaloric properties of manganites series with the AMn_1−xGa_xO₃ (A=La_0.75Ca_0.08Sr_0.17 and x=0, 0.05, 0.1 and 0.2) composition have been investigated to shed light on Ga-doping influence. Solid-state reaction method was used for preparation. From XRD study, all samples are found single phase and crystallize in the orthorhombic structure with the Pnma space group. The variation of the magnetization M vs. temperature T, under an applied magnetic field of 0.05 T, reveals a ferromagnetic–paramagnetic transition for all samples. The experimental results indicate that T_C decreases from 336 to 135 K with increasing Ga substitution. Magnetocaloric effect (MCE) was estimated, in terms of isothermal magnetic entropy change (−ΔS_M), using the M(T, μ₀H) data and employing the thermodynamic Maxwell equation. The maximum entropy change and Relative Cooling Power (RCP) show non-monotonic behaviors with increasing the concentration of Gallium. In fact, the maximum value of ΔS_Mmaxof AMn_1−xGa_xO₃ for x=0.00 and 0.2 samples is found to be, respectively, 2.87 and 1.17 J/kg/K under an applied magnetic field change of 2 T. For the same applied magnetic field (μ₀H=2 T), the RCP values are found to vary between 97.58 and 89 J/kg.