Multivariate statistical process control based on multiway locality preserving projections

An approach for multivariate statistical process control based on multiway locality preserving projections (LPP) is presented. The recently developed LPP is a linear dimensionality reduction technique for preserving the neighborhood structure of the data set. It is characterized by capturing the intrinsic structure of the observed data and finding more meaningful low-dimensional information hidden in the high-dimensional observations compared with PCA. In this study, LPP is used to extract the intrinsic geometrical structure of the process data. Hotelling’s T² (D) and the squared prediction error (SPE or Q) statistic charts for on-line monitoring are then presented, and the contribution plots of these two statistical indices are used for fault diagnosis. Moreover, a moving window technique is used for the implementation of on-line monitoring. Case study was carried out with the data of industrial penicillin fed-batch cultivations. As a comparison, the results obtained with the MPCA are also presented. It is concluded that the Multiway LPP (MLPP) outperforms the conventional MPCA. Finally, the robustness of the MLPP monitoring is analyzed by adding noises to the original data.     

Improvement of causal analysis using multivariate statistical process control

Statistical process control (SPC) is a conventional means of monitoring software processes and detecting related problems, where the causes of detected problems can be identified using causal analysis. Determining the actual causes of reported problems requires significant effort due to the large number of possible causes. This study presents an approach to detect problems and identify the causes of problems using multivariate SPC. This proposed method can be applied to monitor multiple measures of software process simultaneously. The measures which are detected as the major impacts to the out-of-control signals can be used to identify the causes where the partial least squares (PLS) and statistical hypothesis testing are utilized to validate the identified causes of problems in this study. The main advantage of the proposed approach is that the correlated indices can be monitored simultaneously to facilitate the causal analysis of a software process.

A Polymer Defect Passivator for Efficient Hole-Conductor-Free Printable Mesoscopic Perovskite Solar Cells

Due to the low cost and excellent potential for mass production, printable mesoscopic perovskite solar cells (p-MPSCs) have drawn a lot of attention among other device structures. However, the low open-circuit voltage (V_OC) of such devices restricts their power conversion efficiency (PCE). This limitation is brought by the high defect density at perovskite grain boundaries in the mesoporous scaffold, which results in severe nonradiative recombination and is detrimental to the V_OC. To improve the perovskite crystallization process, passivate the perovskite defects, and enhance the PCE, additive engineering is an effective way. Herein, a polymeric Lewis base polysuccinimide (PSI) is added to the perovskite precursor solution as an additive. It improves the perovskite crystallinity and its carbonyl groups strongly coordinate with Pb²⁺, which can effectively passivate defects. Additionally, compared with its monomer, succinimide (SI), PSI serves as a better defect passivator because the long-chained macromolecule can be firmly anchored on those defect sites and form a stronger interaction with perovskite grains. As a result, the champion device has a PCE of 18.84%, and the V_OC rises from 973 to 1030 mV. This study offers a new strategy for fabricating efficient p-MPSCs.     

Structure and Magnetic Property Control of Copper Hydroxide Acetate by Non‐Classical Crystallization

Copper hydroxide acetate (CHA), one layered hydroxide compound with tunable magnetism, attracts great interest because of its potential applications in memory devices. However, ferromagnetism for CHA is only demonstrated by means of GPa pressure. Herein, a new method is reported, involving the combination of different crystallization pathways to control crystallization of amorphous CHA toward the formation of CHA/polymer composites with tunable magnetic properties and even a tunability that can be tested at room temperature. By using poly[(ethylene glycol)₆ methyl ether methacrylate]‐block‐poly[2‐(acetoacetoxy) ethyl methacrylate] (PEGMA‐b‐PAEMA) diblock copolymers as additives in combination with a post‐treatment process by ultracentrifugation, it is demonstrated that CHA and PEGMA‐b‐PAEMA form composites exhibiting different magnetic properties, depending on CHA in‐plane nanostructures. Analytical characterization reveals that crystallization of CHA is induced by ultracentrifugation, during which CHA nanostructures can be well controlled by changing the degrees of polymerization of the PEGMA and PAEMA blocks and their block length ratios. These findings not only present the first example of using crystallization from polymer stabilized amorphous precursors toward the generation of magnetic nanomaterials with tunable magnetism but also pave the way for the future design of functional composite materials.     

In Situ Observation of Crystallization of Methylammonium Lead Iodide Perovskite from Microdroplets

It is of great importance to investigate the crystallization of organometallic perovskite from solution for enhancing performance of perovskite solar cells. Here, this study develops a facile method for in situ observation of crystallization and growth of the methylammonium lead iodide (MAPbI₃) perovskite from microdroplets ejected by an alternating viscous and inertial force jetting method. It is found that there are two crystallization modes when MAPbI₃ grows from the CH₃NH₃I (MAI)/PbI₂/N,N‐dimethylformamide (DMF) solution: needle precursors and granular perovskites. Generally, needle Lewis adduct of MAPbI₃·DMF tends to nucleate and grow from the solution due to low solubility of PbI₂. The growth of MAPbI₃·DMF depends on both the concentration of MAI and temperature. It tends to form large perovskite domains on substrates at high temperature. The MAPbI₃·DMF coverts to nanocrystalline perovskite due to lattice shrinkage when DMF molecules escape from the Lewis adduct. Granular perovskite can also directly nucleate from the solution at high concentration of MAI due to compositional segregation.     

Passive Picoinjection Enables Controlled Crystallization in a Droplet Microfluidic Device

Segmented flow microfluidic devices offer an attractive means of studying crystallization processes. However, while they are widely employed for protein crystallization, there are few examples of their use for sparingly soluble compounds due to problems with rapid device fouling and irreproducibility over longer run‐times. This article presents a microfluidic device which overcomes these issues, as this is constructed around a novel design of “picoinjector” that facilitates direct injection into flowing droplets. Exploiting a Venturi junction to reduce the pressure within the droplet, it is shown that passive injection of solution from a side‐capillary can be achieved in the absence of an applied electric field. The operation of this device is demonstrated for calcium carbonate, where highly reproducible results are obtained over long run‐times at high supersaturations. This compares with conventional devices that use a Y‐junction to achieve solution loading, where in‐channel precipitation of calcium carbonate occurs even at low supersaturations. This work not only opens the door to the use of microfluidics to study the crystallization of low solubility compounds, but the simple design of a passive picoinjector will find wide utility in areas including multistep reactions and investigation of reaction dynamics.     

Sub‐Micron Polymeric Stomatocytes as Promising Templates for Confined Crystallization and Diffraction Experiments

The possibility of using sub‐micrometer polymeric stomatocytes is investigated to effectuate confined crystallization of inorganic compounds. These bowl‐shaped polymeric compartments facilitate confined crystallization while their glassy surfaces provide their crystalline cargos with convenient shielding from the electron beam's harsh effects during transmission electron microscopy experiments. Stomatocytes host the growth of a single nanocrystal per nanocavity, and the electron diffraction experiments reveal that their glassy membranes do not interfere with the diffraction patterns obtained from their crystalline cargos. Therefore, it is expected that the encapsulation and crystallization within these compartments can be considered as a promising template (nanovials) that hold and protect nanocrystals and protein clusters from the direct radiation damage before data acquisition, while they are examined by modern crystallography methodologies such as serial femtosecond crystallography.     

热处理非晶态Ni-P合金镀层的晶化过程

运用电沉积的方法在45钢基体上制备Ni-P合金镀层,使用差示扫描量热法(DSC)和热重法(TG)分析非晶态NiP合金镀层在20℃/min加热速率下的热效应和质量变化。在300℃和400℃分别对镀层进行0,15,30,45,60,75min的热处理,采用扫描电镜(SEM)、能谱仪(EDS)、X射线衍射仪(XRD)、显微硬度计对镀层进行表征。结果表明:Ni-P合金镀层在加热过程中的放热峰出现在284.8℃处,镀层的质量和元素组成稳定;晶化过程经历了非晶态、亚稳态NiP和Ni5P2、稳定态Ni3P的转变;经过热处理后,镀层的显微硬度显著提高,最大值达1036.56HV,约为镀态的2倍;热处理态镀层的耐NaCl溶液腐蚀性能比镀态有所下降,但两者都比45钢基体好。     

阴离子聚合制备PA6/12共聚物的研究

以己内酰胺(CL)和十二内酰胺(LL)为单体,采用阴离子开环共聚制备尼龙6/12(PA6/12)共聚物,主要研究了LL添加量对共聚物热性能、结晶性能、力学性能和断面形貌的影响。研究结果表明,LL的添加量由0%增加到30%时,PA6/12共聚物熔融温度从218.0℃降低到182.6℃,结晶温度由168.9℃降至117.8℃,晶型结构未发生明显变化,但其结晶度由22.88%降低至13.58%,拉伸性能和弯曲性能都有一定程度降低,断裂伸长率由60%增大到325%,并在共聚物拉伸断面观察到大量直径为100nm、长度为1μm左右的纳米纤维状物质。