Ab initio calculations of the NO2 fission for CL-20 conformers

NO₂ fission is regarded to be the most important initial decomposition process of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20). In this study, four CL-20 conformers based on the ε-CL-20 were obtained after the optimization at m062x/cc-pvtz level, and the bond length, bond order and bond dissociation energy of the N-N bonds were examined to investigate the stability of these bonds. In addition, the rate constants and activation energy of the NO₂ fission were evaluated using the microcanonical variational transition state theory (μVT). The calculation results have shown that N-N bonds in the case of pseudo-equatorial and axial of nitro groups are the most stable and the least stable, respectively, by evaluating the bond length, bond order and minimum energy path (MEP). The NO₂ fission rate constants are affected by not only the stability of N-N bonds but also the repulsion forces from the other nitro groups, and the fission process for pseudo-equatorial positioning of nitro groups is easier to be accelerated due to the increase of the repulsion forces. The decomposition of CL-20 conformer may mainly originate from the fission of the pseudo-equatorial positioning of nitro groups, especially for CL-20 III conformer because of the significant low activation energy.     

How neutral coloured backgrounds affect the attractiveness and expensiveness of fresh produce

The colour of the background on which products are presented may affect their perceived attractiveness. In order to find out on which type of background various fresh food products look most attractive, we presented five different vegetables (tomato, carrot, yellow bell pepper, eggplant, mushroom) on five different backgrounds with neutral grey colours varying in degree of blackness: 5, 30, 50, 65, and 90%. Forty-six participants provided colour matches for the vegetables and evaluated them on 10 attributes.Overall, the blackness of the backgrounds had little or no effect on the perceived colour of the vegetable. Only for carrots we found a small but significant difference, mainly between the 5% and 90% blackness backgrounds. On the darkest background, the carrot would be perceived as a bit lighter, more saturated, and more yellow rather than red, compared to the lightest background.Differences in perceived attractiveness on the grey backgrounds varied between 0.3 and 1.0 units on a 9-point scale. Attractiveness and expensiveness ratings for most vegetables were highest on the 90% blackness background. In comparison to our previous study where we presented vegetables on hued backgrounds, differences between mean attractiveness ratings were smaller. Because mean attractiveness ratings in the current study were higher, we expect that grey backgrounds are more likely to present vegetable assortments with a variety of hues in an attractive way than hued backgrounds.     

基于VMD和改进TCN的短期光伏发电功率预测

光伏发电功率存在波动性,且光伏出力易受各种气象特征影响,传统TCN网络容易过度强化空间特性而弱化个体特性。针对上述问题,文中提出一种基于VMD和改进TCN的短期光伏发电功率预测模型。通过VMD将原始光伏发电功率时间序列分解为若干不同频率的模态分量,将各个模态分量以及相对应的气象数据输入至改进TCN网络进行建模学习。利用中心频率法确定VMD的最优分解模态分解个数。在传统TCN预测模型的基础上,使用DropBlock正则化取代Dropout正则化以达到抑制卷积层中信息协同的效果,并引入注意力机制自主挖掘并突出关键气象输入特征的影响,量化各气象因素对光伏发电的影响,从而提高预测精度。以江苏省某光伏电站真实数据为例进行仿真实验,结果表明所提预测方法的RMSE为0.62 MW,MAPE为2.03%。     

生物氧化预处理中进气量实时预测数学模型研究

精准预测生物氧化预处理中的进气量对提高黄金提取率和节能降耗具有重要意义。以气体管流连续性方程和运动方程为控制方程，采用Preissmann隐格式法作为差分方法。同时，根据集合卡尔曼滤波(Ensemble Kalman filter，EnKF)算法原理，构造进气量、压强的状态空间模型。结果表明，基于气体管流控制方程建立的进气量模型预测结果与实际进气量观测值具有较好的一致性；与传统静态预测方法相比，EnKF同化方法引入实时观测值和模型参数的更新，有效提高了进气量的预测精度，其平均绝对误差、平均相对误差和均方根误差有明显的降低。可见，基于气体管流控制方程建立的预测模型结合EnKF同化方法是提高生物氧化槽进气量预测精度的有效手段。     

基于VMD与时间序列分析的滚动轴承故障特征提取方法

为了在非线性、非平稳的滚动轴承故障振动信号中有效提取出敏感的故障特征,提出了基于变分模态分解(VMD)与时间序列分析相结合的特征提取方法。首先通过VMD将原始信号分解为不同预设尺度的本征模态分量(IMF),对各个IMF分量建立时间序列预测模型,通过叠加重构得到最终的预测模型,比较评价指标确定最优参数的选取。最后,通过仿真信号与滚动轴承实际故障数据分析,并与经验模式分解(EMD)进行对比,结果表明该方法能够有效的提取到故障特征频率。     

基于VMD瞬时能量与GA- RBF的滚动轴承故障诊断

针对滚动轴承早期故障的有效识别,提出了一种基于VMD瞬时能量与GA优化的RBF神经网络的滚动轴承故障诊断方法,可以有效对滚动故障做出诊断。首先,VMD将滚动轴承振动信号进行分解成合适数目的本证模态函数;其次,计算本证模态函数分量的瞬时能量并组成特征向量;最后,将特征向量输入到GA优化的RBF神经网络实现轴承故障识别。通过滚动轴承故障诊断实验对该方法进行验证。结果表明,该方法识别滚动轴承故障的准确率为96.43%,较默认参数的RBF神经网络和EEMD瞬时能量与GA-RBF神经网络有明显的提高,证明了所提方法的可行性。     

基于VMD和BSA-KELM的高陡边坡位移预测模型研究

边坡位移的时间序列曲线存在复杂的非线性特性,传统的预测模型精度不足以满足预测要求。为此提出了基于变分模态分解的鸟群优化-核极限学习机的预测模型,并用于河北省某水泥厂的边坡位移预测。该方法首先采用VMD把边坡位移序列分解为一系列的有限带宽的子序列,再对各子序列分别采用相空间重构并用核极限学习机预测,采用鸟群算法优化相空间重构的嵌入维度和KELM中惩罚系数和核参数三个数值,以取得最优预测模型。最后将各个子序列预测值叠加,得到边坡位移的最终预测值。结果表明：和KELM、BSA-KELM、EEMD-BSA-KELM模型相比,基于VMD的BSA-KELM预测精度更高,为边坡位移的预测提供一种有效的方法。     

蝗虫优化相关向量机模型在径流预测中的应用

针对径流序列不稳定导致预测精度不高的问题,提出一种基于变分模态分解(VMD)和蝗虫优化算法(GOA)优化相关向量机(RVM)的组合径流预测模型。首先对原始非平稳的径流序列采用VMD得到若干个相对稳定的分量序列,再分别建立RVM预测模型,并采用GOA优化RVM中核函数的参数,最后累加所有分量的预测值得到径流序列的预测值。实例结果发现,较传统的BP神经网络、支持向量机及基于经验模态分解的支持向量机等模型,该模型预测精度更高,预测结果能为水电站的经济运行、水资源的有效利用等提供决策依据。     

Biotransformation of hop derived compounds by Brettanomyces yeast strains

Several hop derived compounds in wort are known to be converted by yeast during fermentation, influencing the overall perception of the beer. A deeper understanding of such metabolic processes during fermentation is needed to achieve better control of the outcome. Here, the interaction between hop derived compounds and the yeast genera Brettanomyces was studied. Several Brettanomyces strains with different genomic backgrounds were selected, focusing on two traits: beta-glucosidase activity and nitrate assimilation. The role of three beta-glucosidases present in Brettanomyces bruxellensis and Brettanomyces anomalus and their impact on the final monoterpene alcohol profile was analysed. The beta-glucosidase activity was highly strain dependent, with B. anomalus CRL-49 exhibiting the highest conversion. Such activity could not be related to the release of aglycones from hops during fermentation, as a substantial part of such activity was intracellular. Nevertheless, the reduction of geraniol to β-citronellol was remarkably efficient for all Brettanomyces strains during fermentation, and it is suggested that two oxidoreductases BbHye2 and BbHye3 may have an influence. Moreover, the transfer of nitrate from hops to wort and its further assimilation by Brettanomyces species was analysed. The amount of nitrate in wort proved to be linearly proportional to the contact time of the hops with the wort. The level of nitrate assimilation by yeast was shown to be dependent on the nitrate assimilation cluster (YNR, YNI, YNT). Hence, the desired yeast strains may be selected according to the genetic make-up. © 2020 The Authors. Journal of the Institute of Brewing published by John Wiley & Sons Ltd on behalf of The Institute of Brewing & Distilling     

基于改进SOA-VMD的磁声发射信号去噪算法

磁声发射（MAE）是铁磁性材料磁化过程中产生的声发射信号，在构件应力检测和微观损伤检测中有着广泛的应用。针对MAE信号非稳态、复杂性、衰减性等特点，提出海鸥算法结合变分模态分解（SOA-VMD）的去噪方法，为克服海鸥算法求解过程中易陷入局部最优解问题，利用柯西变异算子产生随机迭代过程，使改进算法即柯西变异海欧算法（CVSOA）跳出早熟收敛。采用以幅值谱熵为适应度函数，优化VMD算法中分解模态个数K和二次惩戒因子α两个参数，将含噪声的MAE信号进行VMD分解重构。经仿真信号和实际检测信号分析表明，改进后的CVSOA-VMD算法全局寻优能力和去噪性能优于传统的SOA-VMD算法，降噪后的MAE信号特征值对于不同应力下均方根、偏斜度特征值的重复性更好，可靠性更高。