Coulomb‐enhanced spin–orbit coupling and semiconductor to half‐metal transition under pressure in Sr2CrReO6

Ordered Sr₂CrReO₆ has been synthesized recently. It is measured to be ferrimagnetic semiconductor, in contrary to the previous reports of metallic properties. To solve the discrepancy, we have investigated the compound by using the density functional theory. The semiconducting behavior is reproduced by including the electron correlation and spin–orbit coupling simultaneously. The calculated band gap is 0.22 eV, close to the experimental value of 0.21 eV. A large orbital moment of 0.69µ_B is found for Re, which is caused by the Coulomb‐enhanced spin–orbit coupling. By applying pressure, a semiconductor to half‐metal transition is observed through 5% volume compression.

     

Estimation of the Reliability of a Stress–Strength System from Poisson Half Logistic Distribution

This paper discussed the estimation of stress-strength reliability parameter R=P(Y<X) based on complete samples when the stress-strength are two independent Poisson half logistic random variables (PHLD). We have addressed the estimation of R in the general case and when the scale parameter is common. The classical and Bayesian estimation (BE) techniques of R are studied. The maximum likelihood estimator (MLE) and its asymptotic distributions are obtained; an approximate asymptotic confidence interval of R is computed using the asymptotic distribution. The non-parametric percentile bootstrap and student’s bootstrap confidence interval of R are discussed. The Bayes estimators of R are computed using a gamma prior and discussed under various loss functions such as the square error loss function (SEL), absolute error loss function (AEL), linear exponential error loss function (LINEX), generalized entropy error loss function (GEL) and maximum a posteriori (MAP). The Metropolis–Hastings algorithm is used to estimate the posterior distributions of the estimators of R. The highest posterior density (HPD) credible interval is constructed based on the SEL. Monte Carlo simulations are used to numerically analyze the performance of the MLE and Bayes estimators, the results were quite satisfactory based on their mean square error (MSE) and confidence interval. Finally, we used two real data studies to demonstrate the performance of the proposed estimation techniques in practice and to illustrate how PHLD is a good candidate in reliability studies.     

皮尔斯电子枪非迭代综合法的修正

 对Tiwary非迭代综合法进行了整理分析,根据阴极半锥角大小的不同范围对其计算公式做出了相应修正,使得计算结果与Vaughan迭代综合法的计算结果相吻合,二者之间相差可以实现小于1°;对阳极半径公式也做了合理的修正,使阳极与阴极之间的间隙及电子枪射程的计算精度也与迭代综合法相当。采用非迭代法的修正方法计算精度受阴极半锥角大小的影响大大减小,扩大了其应用范围。     

Onset of itinerant ferromagnetism associated with semiconductor-metal transition in Ti<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Nb<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>CoSn half Heusler solid solution compounds

In this paper, the magnetic and transport properties of the Ti _x Nb_{1 − x} CoSn solid solution compounds with half Heusler cubic MgAgAs-type structure have been studied. This work shows the onset of ferromagnetism associated with a semiconductor to metal transition. The transition occurs directly from ferromagnetic metal to semiconducting state as it is the case in the TiCo _x Ni_{1 − x} Sn series studied previously. A weak quantity of Ti in NbCoSn is suffcient to allow the appearance of ferromagnetic order and metallic state. The variations of the Curie temperature as a function of saturation and effective paramagnetic moments are related to the itinerant ferromagnetism model. A comparison is made with the TiCoSn _x Sb_{1 − x} series (also studied previously), where the transition from TiCoSn ferromagnetic metal to non-magnetic semiconductor TiCoSb occurs through an intermediate metallic Pauli-like state.      

Kaleidoscope of life: A 24-neighbourhood outer-totalistic cellular automaton

One of the challenges of cellular automaton research is finding models with a low complexity and at the same time a rich dynamics. A measure of low complexity is the number of states in the model and the number of transition rules to switch between those states. In this paper, we propose a 2-dimensional 2-state cellular automaton that-though governed by a single simple transition rule-has a sufficiently rich dynamics to be computationally universal. According to the transition rule, a cell’s state is determined by the sum of the states of the cells at orthogonal or diagonal distances one or two from the cell (distance-2 Moore neighbourhood), but not by the previous state of the cell itself. Notwithstanding its simplicity, this model is able to generate a great variety of patterns, including several types of stable configurations, oscillators and patterns that move over cellular space (gliders). We prove the computational universality of the model by constructing a universal set of logic gates (NOT and AND) from these patterns. A key element in this proof is the shifting of phases and positions of signals such that they meet the input requirements of the logic gates. Similarities of the model with classical spin systems are also discussed.     

Photoinduced electron transfer between hen egg white lysozyme and anticancer drug menadione

The protein, hen egg white lysozyme, on photoexcitation undergoes electron transfer with menadione (2-methyl-1,4-naphthoquinone), a widely known anticancer drug. With the addition of menadione the fluorescence of lysozyme is quenched with the simultaneous formation of an excited state charge-transfer complex in the longer wavelength and a ground state complex. The former is further evident from laser flash photolysis studies, which indicate a tryptophan to menadione electron transfer. From fluorescence quenching studies the binding constant is found to be ∼1.7×10⁴ M⁻¹ with the corresponding changes in enthalpy (ΔH°) and entropy (ΔS°) as 12.24 kJ mol⁻¹ and 124.12 J mol⁻¹ K⁻¹, respectively, indicative of an entropy-driven process. The circular dichroism studies also show some structural changes with increase in α-helical content in the protein on interaction with menadione. Finally, docking studies give some insight into the role of Trp 108 of lysozyme in the interaction.     

弹性半空间地基上圆形基础板的位移场和应力场

针对弹性半空间地基上圆形基础底板的弯曲问题,根据地基土壤的受力特性和已有实验研究成果,假设圆形基础底板底部与地基土壤之间是由竖向集中荷载引起的接触应力分布形式,采用板的弯曲理论和通过数值积分及最小二乘法拟合的方法,推导出完全满足边界条件的弹性半空间地基上圆形基础底板上部受集中力作用、下部受幂函数形式连续分布荷载作用时的位移场、径向和环向应力场的表达式。尽管圆形基础板属于中厚度板,但是该表达式的计算精度和可靠性得到了有限元分析软件ANSYS验证。     

供给侧改革视角下高职院校生活化学实验的设计与教学实践*

在供给侧改革背景下,结合高职院校教学实际,分析了生活化学实验课程在实验设计、教学内容、教学方法等方面存在的问题。从精心设计的实验项目、基于实验展示的教学方法和凸显学生专业特色的考核方式等3个方面进行实践,体现了课程的科学性、实用性、趣味性和可操作性,有助于提升高职院校学生的科学素养。     

A1Ⅱ离子3snp^1p1序列能级辐射寿命的非单调变化

本文考虑了一价铝离子双激发干扰态３ｐ４ｓ＾１ｐ１＾０对ｓｎｐ＾１Ｐ１＾０Ｒｙｄｂｅｒｇ序列的强相互作用，多组态ＨＦＲ自洽场方法计算了Ａ１Ⅱ３ｓｎｐ＾１Ｐ１０（ｎ＝３－１０）序列能级的辐射寿命，与已有的实验和理论计算结果进行了比较，结果表明该序列能级寿命随主量子数ｎ呈现非单调变化。