Questioning numerical integration methods for microsphere (and microplane) constitutive equations

In the last few years, more and more complex microsphere models have been proposed to predict the mechanical response of various polymers. Similarly than for microplane models, they consist in deriving a one-dimensional force vs. stretch equation and to integrate it over the unit sphere to obtain a three-dimensional constitutive equation. In this context, the focus of authors is laid on the physics of the one-dimensional relationship, but in most of the case the influence of the integration method on the prediction is not investigated.Here we compare three numerical integration schemes: a classical Gaussian scheme, a method based on a regular geometric meshing of the sphere, and an approach based on spherical harmonics. Depending on the method, the number of integration points may vary from 4 to 983,040! Considering simple quantities, i.e. principal (large) strain invariants, it is shown that the integration method must be carefully chosen. Depending on the quantities retained to described the one-dimensional equation and the required error, the performances of the three methods are discussed. Consequences on stress–strain prediction are illustrated with a directional version of the classical Mooney–Rivlin hyperelastic model. Finally, the paper closes with some advices for the development of new microsphere constitutive equations.     

Macroscopic and Microscopic Structures of Cesium Lead Iodide Perovskite from Atomistic Simulations

A first‐principles‐based effective Hamiltonian is developed and employed to investigate finite‐temperature structural properties of a prototype of perovskite halides, that is CsPbI₃. Such simulations, when using first‐principles‐extracted coefficients, successfully reproduce the existence of an orthorhombic Pnma state and its iodine octahedral tilting angles around room temperature. However, they also yield a direct transformation from Pnma to cubic $Pm\overline{3}m$ upon heating, unlike measurements that reported the occurrence of an intermediate long‐range‐tilted tetragonal P4/mbm phase in‐between the orthorhombic and cubic phases. Such disagreement, which may cast some doubts about the extent to which first‐principle methods can be trusted to mimic hybrid perovskites, can be resolved by “only” changing one short‐range tilting parameter in the whole set of effective Hamiltonian coefficients. In such a case, some reasonable values of this specific parameter result in the predictions that i) the intermediate P4/mbm state originates from fluctuations over many different tilted states; and ii) the cubic $Pm\overline{3}m$ phase is highly locally distorted and develops strong transverse antiphase correlation between first‐nearest neighbor iodine octahedral tiltings, before undergoing a phase transition to P4/mbm under cooling.     

亲子乐园空调送风方式的数值模拟研究

大型综合室内亲子乐园属于高大空间,设有游乐设施和游戏的特殊性使得对空间的舒适性要求一致,但是送风气流遇阻严重,室内存在较多气流死角,影响室内空气质量和儿童健康。因此其空调设计不仅需要考虑温度、风速的空间均匀度,还要考虑各点的空气龄和PMV-PPD指标。以天津某亲子乐园为研究对象,利用scSTREAM软件对适用于该房间的辐射供冷加新风、置换通风、混合通风三种空调方式的送风效果进行数值模拟分析,从流场的均匀性、人员的热舒适性等方面对模拟结果进行探讨,研究结果表明辐射供冷加新风方式的空间均匀性和PMV指标最佳,混合通风方式的空气龄最小。     

High-resolution FIB-TEM-STEM structural characterization of grain boundaries in the high dielectric constant perovskite CaCu3Ti4O12

In this work, the grain boundaries composition of the polycrystalline CaCu₃Ti₄O₁₂ (CCTO) was investigated. A Focused Ion Beam (FIB)/lift-out technique was used to prepare site-specific thin samples of the grain boundaries interface of CCTO ceramics. Scanning transmission electron microscopy (STEM) coupled with energy dispersive X-ray spectrometry (EDXS) and Electron Energy Loss Spectroscopy (EELS) systems were used to characterize the composition and nanostructure of the grain and grain boundaries region. It is known that during conventional sintering, discontinuous grain growth occurs and a Cu-rich phase appears at grain boundaries. This Cu-rich phase may affect the final dielectric properties of CCTO but its structure and chemical composition remained unknown. For the first time, this high-resolution FIB-TEM-STEM study of CCTO interfacial region highlights the composition of the phases segregated at grain boundaries namely CuO, Cu₂O and the metastable phase Cu₃TiO_4.     

Towards a Better Prediction of Cell Settling on Nanostructure Arrays—Simple Means to Complicated Ends

Vertical arrays of nanostructures (NSs) are emerging as promising platforms for probing and manipulating live mammalian cells. The broad range of applications requires different types of interfaces, but cell settling on NS arrays is not yet fully controlled and understood. Cells are both seen to deform completely into NS arrays and to stay suspended like tiny fakirs, which have hitherto been explained with differences in NS spacing or density. Here, a better understanding of this phenomenon is provided by using a model that takes into account the extreme membrane deformation needed for a cell to settle into a NS array. It is shown that, in addition to the NS density, cell settling depends strongly on the dimensions of the single NS, and that the settling can be predicted for a given NS array geometry. The predictive power of the model is confirmed by experiments and good agreement with cases from the literature. Furthermore, the influence of cell‐related parameters is evaluated theoretically and a generic method of tuning cell settling through surface coating is demonstrated experimentally. These findings allow a more rational design of NS arrays for the numerous exciting biological applications where the mode of cell settling is crucial.     

THE effect of Srandom DOPANT fluctuation on threshold voltage and drain current variation in junctionless nanotransistors

We investigate the effect of dopant random fluctuation on threshold voltage and drain current variation in a two-gate nanoscale transistor. We used a quantum-corrected technology computer aided design simulation to run the simulation (10000 randomizations). With this simulation, we could study the effects of varying the dimensions (length and width), and thicknesses of oxide and dopant factors of a transistor on the threshold voltage and drain current in subthreshold region (off) and overthreshold (on). It was found that in the subthreshold region the variability of the drain current and threshold voltage is relatively fixed while in the overthreshold region the variability of the threshold voltage and drain current decreases remarkably, despite the slight reduction of gate voltage diffusion (compared with that of the subthreshold). These results have been interpreted by using previously reported models for threshold current variability, load displacement, and simple analytical calculations. Scaling analysis shows that the variability of the characteristics of this semiconductor increases as the effects of the short channel increases. Therefore, with a slight increase of length and a reduction of width, oxide thickness, and dopant factor, we could correct the effect of the short channel.     

田赛距离测量中全站仪的设计与实现

本文提出了将智能全站仪这种精密测量仪器广泛应用于田赛项目测量中，并结合其他科技元素用于解决田赛项目中跳远、投掷等项目的测量及数据管理问题，实现实时、自动、准确地裁定和报告比赛成绩。     

不同晶相结构ZrO2负载铜基催化剂用于二乙醇胺脱氢反应

通过制备不同晶相结构〔单斜相(m-ZrO_2)、四方相(t-ZrO_2)和无定型(a-ZrO_2)〕ZrO_2载体,再通过沉积沉淀法制得Cu/m-ZrO_2、Cu/t-ZrO_2和Cu/a-ZrO_2催化剂,分别用于催化二乙醇胺脱氢合成亚氨基二乙酸反应。采用XRD、氮气物理吸附脱附、XPS、H_2-TPR、CO_2-TPD对催化剂的结构进行了表征。结果表明,Cu/m-ZrO_2催化剂界面更加有利于Cu~+/Cu~0稳定存在,具有更多的碱性位点,且抗氧化性较好。在二乙醇胺脱氢反应中,Cu/m-ZrO_2催化剂性能最好,反应时间为2.5 h,亚氨基二乙酸收率为97.64%。     

Design of functionalized α-Fe2O3 (III) films with long-term anti-wetting properties

The design of functional anti-wetting ceramic coatings is always a bottleneck restricting the development of ceramic techniques. This study proposes a liquid phase synthesis method to fabricate α-Fe₂O₃ (III) ceramic powders with promising applications and introduces a facile electrophoretic deposition (EPD) technique to construct the corresponding functionalized hydrophobic films – superhydrophobic functionalized α-Fe₂O₃ ceramic films (SFOFS) with roughly even distribution and a high water contact angle (CA) of 169°±1° – followed by heat posttreatments. The microtopography and crystalline structures of the product were investigated by FESEM, EDX, and XRD techniques. The EPD controllability of SFOFS was studied by adjusting the EPD time and the applied field strengths. In addition, the SFOFS show excellent long-term anti-wetting properties for twenty-four months after undergoing a series of tests, including soaking, water droplet impacting, immersion by droplets with different surface tensions and exposure to different gases and relative humidity conditions, etc. This study substantially helps the design of other kinds of functional anti-wetting films through the proposed convenient method beyond the oxide limit.     

State-space ARIMA for supply-chain forecasting

ARIMA is seldom used in supply chains in practice. There are several reasons, not the least of which is the small sample size of available data, which restricts the usage of the model. Keeping in mind this restriction, we discuss in this paper a state-space ARIMA model with a single source of error and show how it can be efficiently used in the supply-chain context, especially in cases when only two seasonal cycles of data are available. We propose a new order selection algorithm for the model and compare its performance with the conventional ARIMA on real data. We show that the proposed model performs well in terms of both accuracy and computational time in comparison with other ARIMA implementations, which makes it efficient in the supply-chain context.