{X,Y}-Cyclacene Graphs with Next Nearest Neighbor Interactions

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.     

Quantifying co-creative writing experiences

Collaboration with artificial intelligence (AI) is a growing trend even in the field of creativity. This paper examines which quantitative metrics can be used to comparatively analyse human-computer co-creativity with children. To study this question, 24 schoolchildren of age 10–11 wrote a poem with three co-creative poetry writing processes: a human-computer, a human-human, and a human-human-computer process. The computational participant in the processes was an AI-based application called the Poetry Machine. The children were asked to evaluate their user experience with a 5-point Likert-type questionnaire after each writing process and a comparative questionnaire after finishing all processes. The metrics used in the evaluation were immediate fun, long-term enjoyment, creativity, self-expression, outcome satisfaction, ease of starting and finishing writing, quality of ideas and support from others, and ownership.

Significant differences were found in fun, long-term enjoyment, quality of ideas, support, and ownership. The high number of statistically relevant results was enabled by exposing all participants to all writing processes, and the comparative questionnaire. The human-human-computer process was evaluated the best in long-term enjoyment and the human-computer process the weakest in support and idea quality. Creativity and ease of finishing writing turned out to be outlining metrics for the co-creative processes.     

Unreliable numbers: error and harm induced by bad design can be reduced by better design

Number entry is a ubiquitous activity and is often performed in safety- and mission-critical procedures, such as healthcare, science, finance, aviation and in many other areas. We show that Monte Carlo methods can quickly and easily compare the reliability of different number entry systems. A surprising finding is that many common, widely used systems are defective, and induce unnecessary human error. We show that Monte Carlo methods enable designers to explore the implications of normal and unexpected operator behaviour, and to design systems to be more resilient to use error. We demonstrate novel designs with improved resilience, implying that the common problems identified and the errors they induce are avoidable.     

应变纤锌矿ZnO/MgxZn1-xO量子点中离子施主束缚激子的光学性质

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.     

Coil‐Type Asymmetric Supercapacitor Electrical Cables

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.     

Sustainable ammonia production through process synthesis and global optimization

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     

压水堆核电厂一回路首次钝化工艺研究

压水堆核电厂热态功能试验中的一回路首次钝化对核电厂一回路材料腐蚀控制和减少腐蚀产物等方面具有重要作用。本文结合理论研究与工程实际情况，提出了在热态功能试验过程中钝化膜的生成包含电化学反应和化学反应的观点，阐述了双层膜的生长机理，解释了用电化学测试方法分析钝化工艺过程的合理性，推导出钝化温度与钝化膜反应速率的函数关系式，钝化温度升高，反应速率升高，钝化时间缩短；明确了钝化工艺温度的理论限值应不低于260℃。      

飞机撞击下高温气冷堆乏燃料厂房损伤研究

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。     

柠檬酸铋合成新工艺研究

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。     

Integrated circuit and system design for renewable energy inverters

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.