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1.
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 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 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. 相似文献
2.
Although rainfall input uncertainties are widely identified as being a key factor in hydrological models, the rainfall uncertainty is typically not included in the parameter identification and model output uncertainty analysis of complex distributed models such as SWAT and in maritime climate zones. This paper presents a methodology to assess the uncertainty of semi-distributed hydrological models by including, in addition to a list of model parameters, additional unknown factors in the calibration algorithm to account for the rainfall uncertainty (using multiplication factors for each separately identified rainfall event) and for the heteroscedastic nature of the errors of the stream flow. We used the Differential Evolution Adaptive Metropolis algorithm (DREAM(zs)) to infer the parameter posterior distributions and the output uncertainties of a SWAT model of the River Senne (Belgium). Explicitly considering heteroscedasticity and rainfall uncertainty leads to more realistic parameter values, better representation of water balance components and prediction uncertainty intervals. 相似文献
3.
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%。 相似文献
4.
《Displays》2015
Modern liquid crystal displays (LCDs) require novel technologies, such as new alignment methods to eliminate alignment layers, fast response and long operation time. To this end, we report an overview of recent efforts in LCD technologies devoted to realize more display modes having no alignment layer, faster switching time and low battery consumption. In particular, we overview recent advances on the liquid crystals (LCs) alignment for display applications, which includes superfine nanostructures, polymeric microchannels and polymer stabilized LCs. Furthermore, we analyze the main optical and electro-optical properties of new generation LCDs displays addressing a particular attention to LCs blue phase hosting gold nanoparticles. Moreover, we focus on the progress of electrofluidic displays, which demonstrates characteristics that are similar to LCDs, with attention on various pixel designs, operation principles and possible future trends of the technology. 相似文献
5.
A steelmaking-continuous casting (SCC) scheduling problem is an example of complex hybrid flow shop scheduling problem (HFSSP) with a strong industrial background. This paper investigates the SCC scheduling problem that involves controllable processing times (CPT) with multiple objectives concerning the total waiting time, earliness/tardiness and adjusting cost. The SCC scheduling problem with CPT is seldom discussed in the existing literature. This study is motivated by the practical situation of a large integrated steel company in which the just-in-time (JIT) and cost-cutting production strategy have become a significant concern. To address this complex HFSSP, the scheduling problem is decomposed into two subproblems: a parallel machine scheduling problem (PMSP) in the last stage and an HFSSP in the upstream stages. First, a hybrid differential evolution (HDE) algorithm combined with a variable neighborhood decomposition search (VNDS) is proposed for the former subproblem. Second, an iterative backward list scheduling (IBLS) algorithm is presented to solve the latter subproblem. The effectiveness of this bi-layer optimization approach is verified by computational experiments on well-designed and real-world scheduling instances. This study provides a new perspective on modeling and solving practical SCC scheduling problems. 相似文献
6.
《Food Control》2015
In this work a multicommuted flow system employing copper–4,4′- dipyridyl coordination compound as the solid-phase reagent for the spectrophotometric determination of reducing sugar was developed. The coordination compound was synthesized through a reaction of the 4,4′-dipyridyl and copper (II) nitrate, under hydrothermal conditions. The complex was characterized by infrared spectroscopy (FTIR), power X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive spectrometer (EDS) and thermogravimetric analysis (TGA). Based on the characterization, a multicommuted spectrophotometric procedure for the determination of reducing sugar using copper (II) complex as solid reagent is proposed. The proposed method was based on the redox reaction between a monosaccharide, such as fructose and glucose (reducing sugar) and Cu(II). This reaction, mediated in an alkaline medium, produces a yellow compound that can be determined by absorption electronic spectroscopy (λABS = 420 nm). Under optimum experimental conditions, a linear response ranging from 1.0 to 20.0 g L−1 (R = 0.9978 and n = 5), a detection (3σ criterion) and quantification (10σ criterion) limit estimated at 0.23 and 0.75 g L−1, respectively, a standard deviation relative of 4.7% (n = 7), for a reference solution of 10.0 g L−1 reducing sugar, and a sampling rate of 75 determinations per hour were achieved. The proposed system was applied to the determination of reducing sugars in coconut water and juices. The analysis of ten samples and the application of the t-test to the results found, and those obtained using reference procedures (AOAC), provided no significant differences at a 95% confidence level. This system enabled the analysis of reducing sugar with ease and simplicity, providing a significant economy of the solid reagent (600 μg per determination) and reducing effluent generation. 相似文献
7.
8.
To improve the electrochemical properties of rare-earth–Mg–Ni-based hydrogen storage alloys, the effects of stoichiometry and Cu-substitution on the phase structure and thermodynamic properties of the ... 相似文献
9.
In order to improve the process effectiveness and joint quality, ultrasonic vibrations were integrated with friction stir lap welding. Effect of ultrasonic exertion on the process and joint quality of AA 6061-T6 were investigated. Upon ultrasonic exertion, joints owned larger effective lap width, shorter hooks and improved strength. Weld fracture mode changed from a ductile–brittle mixed mode to a more ductile mode while the fracture path shifted from lap interface to beyond the stir zone. Material flow and interface defects were characterised using lap welded dissimilar aluminium alloy joints. Ultrasonic vibration improved the material flow and reduced the interfacial defects. Variations in failure load of joints were found in accordance with the variations in material flow and interfacial defects. 相似文献
10.
A novel dual-rotation bobbin tool friction stir welding (DBT-FSW) was developed, in which the upper shoulder (US) and lower shoulder (LS) have different rotational speeds. This process was tried to weld 3.2 mm thick aluminum-lithium alloy sheets. The metallographic analysis and torque measurement were carried out to characterize the weld formability. Experimental results show that compared to conventional bobbin tool friction stir welding, the DBT-FSW has an excellent process stability, and can produce the defect-free joints in a wider range of welding parameters. These can be attributed to the significant improvement of material flow caused by the formation of a staggered layer structure and the unbalanced force between the US and LS during the DBT-FSW process. 相似文献