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31.
Somnath Karmakar 《Polycyclic Aromatic Compounds》2019,39(2):159-171
Eigensolutions of {X( = C,B,N),Y( = C,B,N)}-cyclacene graphs with next nearest neighbor (nnn) interactions have been obtained in analytical forms by adapting n-fold rotational symmetry followed by two-fold rotational symmetry (or a plane of symmetry). Expressions of eigensolution indicate the subspectral relationship among such cyclacenes with an even number of hexagonal rings e.g., eigenvalues of {X,Y}-di-cyclacene are found in the eigenspectra of all such even cyclacenes. Total π-electron energies and highest occupied molecular orbital and lowest unoccupied molecular orbital (HOMO–LUMO) gaps are calculated using the analytical expressions obtained and are found to vary negligibly with the variation of nnn interactions in such cyclacenes. Total π-electron energy is found to increase due to increase in restriction intensity of nnn interactions, whereas the HOMO–LUMO gap of polyacenecs having the even number of hexagonal rings and with one electron at each site (atom) decreases with increase in the restriction intensity since such systems contain degenerate half-filled HOMO (bonding or nonbonding) that are much more vulnerable for perturbations imposed through nnn interactions. 相似文献
32.
Within the framework of the effective-mass approximation and the dipole approximation, considering the three-dimensional confinement of the electron and hole and the strong built-in electric field(BEF) in strained wurtzite Zn O/Mg0:25Zn0:75O quantum dots(QDs), the optical properties of ionized donor-bound excitons(D+, X)are investigated theoretically using a variational method. The computations are performed in the case of finite band offset. Numerical results indicate that the optical properties of(D+, X) complexes sensitively depend on the donor position, the QD size and the BEF. The binding energy of(D+, X) complexes is larger when the donor is located in the vicinity of the left interface of the QDs, and it decreases with increasing QD size. The oscillator strength reduces with an increase in the dot height and increases with an increase in the dot radius. Furthermore, when the QD size decreases, the absorption peak intensity shows a marked increment, and the absorption coefficient peak has a blueshift. The strong BEF causes a redshift of the absorption coefficient peak and causes the absorption peak intensity to decrease remarkably. The physical reasons for these relationships have been analyzed in depth. 相似文献
33.
Zenan Yu Julian Moore Jean Calderon Lei Zhai Jayan Thomas 《Small (Weinheim an der Bergstrasse, Germany)》2015,11(39):5289-5295
Cable‐shaped supercapacitors (SCs) have recently aroused significant attention due to their attractive properties such as small size, lightweight, and bendability. Current cable‐shaped SCs have symmetric device configuration. However, if an asymmetric design is used in cable‐shaped supercapacitors, they would become more attractive due to broader cell operation voltages, which results in higher energy densities. Here, a novel coil‐type asymmetric supercapacitor electrical cable (CASEC) is reported with enhanced cell operation voltage and extraordinary mechanical‐electrochemical stability. The CASECs show excellent charge–discharge profiles, extraordinary rate capability (95.4%), high energy density (0.85 mWh cm−3), remarkable flexibility and bendability, and superior bending cycle stability (≈93.0% after 4000 cycles at different bending states). In addition, the CASECs not only exhibit the capability to store energy but also to transmit electricity simultaneously and independently. The integrated electrical conduction and storage capability of CASECS offer many potential applications in solar energy storage and electronic gadgets. 相似文献
34.
C. Doga Demirhan William W. Tso Joseph B. Powell Efstratios N. Pistikopoulos 《American Institute of Chemical Engineers》2019,65(7):e16498
Current ammonia production technologies have a significant carbon footprint. In this study, we present a process synthesis and global optimization framework to discover the efficient utilization of renewable resources in ammonia production. Competing technologies are incorporated in a process superstructure where biomass, wind, and solar routes are compared with the natural gas-based reference case. A deterministic global optimization-based branch-and-bound algorithm is used to solve the resulting large-scale nonconvex mixed-integer nonlinear programming problem (MINLP). Case studies for Texas, California, and Iowa are conducted to examine the effects of different feedstock prices and availabilities. Results indicate that profitability of ammonia production is highly sensitive to feedstock and electricity prices, as well as greenhouse gas (GHG) restrictions. Under strict 75% GHG reductions, biomass to ammonia route is found to be competitive with natural gas route, whereas wind and solar to ammonia routes require further improvement to compete with those two routes. © 2018 American Institute of Chemical Engineers AIChE J, 65: e16498 2019 相似文献
35.
Aditi Chatterjee Jayabrata Biswas Kiranmoy Das 《International Journal of Communication Systems》2020,33(9)
In recent years, Internet of Things (IoT) devices are used for remote health monitoring. For remotely monitoring a patient, only the health information at different time points are not sufficient; predicted values of biomarkers (for some future time points) are also important. In this article, we propose a powerful statistical model for an efficient dynamic patient monitoring using wireless sensor nodes through Bayesian Learning (BL). We consider the setting where a set of correlated biomarkers are measured from a patient through wireless sensors, but the sensors only report the ordinal outcomes (say, good, fair, high, or very high) to the sink based on some prefixed thresholds. The challenge is to use the ordinal outcomes for monitoring and predicting the health status of the patient under consideration. We propose a linear mixed model where interbiomarker correlations and intrabiomarker dependence are modeled simultaneously. The estimated and the predicted values of the biomarkers are transferred over the internet so that health care providers and the family members of the patient can remotely monitor the patient. Extensive simulation studies are performed to assess practical usefulness of our proposed joint model, and the performance of the proposed joint model is compared to that of some other traditional models used in the literature. 相似文献
36.
本文针对典型高温气冷堆乏燃料厂房在双发商用飞机撞击载荷下的响应及结构完整性开展研究,并探讨结构特性对撞击损伤的影响。对乏燃料厂房及飞机分别建立有限元模型,通过弹体-目标相互作用分析模拟了飞机撞击过程,综合IAEA与NRC的评价准则对乏燃料厂房在飞机撞击下的损伤程度进行评估。数值结果表明:厂房上对应于机身及发动机的撞击位置发生可接受的局部损伤;乏燃料贮存井墙体对于提高构筑物抗飞机撞击能力有重要作用。此外,构筑物外形对损伤有很大影响,圆柱形壳体的抗飞机撞击能力显著强于方形厂房,是核电厂厂房设计的优化方向之一。 相似文献
37.
伏彩萍 《有色金属(冶炼部分)》2020,(6):66-69
针对现有柠檬酸铋制备工艺合成时间长、能耗高、产品纯度不高等不足,介绍了一种常温下制备柠檬酸铋的新工艺。新工艺制备时间短,制备的柠檬酸铋产品质量好,合成过程产生的废水可循环利用,废气经碱液循环吸收可生产硝酸钠副产品。 相似文献
38.
This paper deals with three-dimensional non-linear finite element analyses to assess the structural behavior of adhesively-bonded double supported tee joint of laminated FRP composites having embedded interfacial failures. The onset of interfacial failures is predicted by using Tsai–Wu coupled stress failure criterion with pre-determined stress values. The concept of fracture mechanics principle is utilized to study the sustainability of the tee joint having interfacial failures pre-existed at the critical locations. Individual modes of the strain energy release rates (SERR) GI, GII and GIII, are considered as the damage growth parameters and, are evaluated using the Modified crack closure integral (MCCI) technique based on the concept of linear elastic fracture mechanics (LEFM). Based on the stress analyses, it has been observed that the interfacial failures in tee joint structure trigger at the interface of base plate and adhesive layer from both ends of base plate. Depending on the SERR magnitudes, it has been noticed that the interfacial failure propagates under mixed mode condition. Therefore total SERR (GT) is considered as the governing parameter for damage propagation. Furthermore, efforts have been made to retard damage propagation rate by employing functionally graded adhesive (FGA) instead of monolithic adhesive material. Series of numerical simulations have been performed for varied interfacial failure length in functionally graded adhesively bonded double supported tee joint structure in order to achieve the significant effect of FGA with various modulus ratios on SERR. Material gradation of adhesive indicates significant SERR reduction at the incipient stage of failure which necessitates the use of functionally graded adhesive for the tee joint and prolong the service life of the structure. 相似文献
39.
This study proposes that a novel integrated circuit (IC) and system design for renewable energy inverters can harvest renewable energy to power direct current (DC) and alternating current (AC) loads. In addition, an intelligent synthesis and management tool is developed to design the proposed system and to judge the system’s operational maintenance decisions. Finally, a renewable energy inverter’s information is posted to an online system. Users can obtain the proposed system’s information at any time and place. The accurate and superior performance of the proposed IC and system is confirmed by computer simulations and experimental results. 相似文献
40.
目的研究热风辅助射频(hot air-assisted radio frequency,HA-RF)干燥过程中维生素C随温度变化的降解动力学模型。方法在6.5 cm极板间距和60℃热风系统条件下进行HA-RF干燥,重点研究胡萝卜丁中维生素C在干燥过程中的降解动力学,包括脱氢抗坏血酸(dehydroascorbic acid,DHAA)和抗坏血酸(ascorbic acid,AA)。总维生素C含量采用2,4-硝基苯肼分光光度法测定,AA采用2,6-二氯吲哚酚滴定法测定。结果HA-RF干燥过程中维生素C的降解规律符合一级可逆模型,其降解活化能为40.54 kJ/mol。DHAA活化能为35.83 kJ/mol,表明DHAA的稳定性低于AA。结论本研究使用的干燥温度为62.5~77.5℃,较高的干燥温度下维生素C降解速率较高,较低处理温度下的降解过程具有更好的模型适应度(R2>0.98)。 相似文献