Prediction of process parameters of water-assisted injection molding based on inverse radial basis function neural network

Because of the introduction of new processing parameters in water-assisted injection molding (WAIM), processes control has become more difficult. First, design of experiment (DOE) was carried out by using optimized Latin hypercubes (Opt LHS). On the basis of this, computational fluid dynamics (CFD) method was used to simulate and calculate hollowed core ratios and wall thickness differences of cooling water pipe at different positions. Then inverse radial basis function (RBF) neural network model reflecting the fitting relationship between processing parameters and molding quality was established, and accuracy of the model was detected by cross validation. Finally, expected molding quality was applied to predict processing parameters, and the obtained molding quality under the predicted processing parameters was verified by computer aided engineering (CAE) simulation and experimental methods. The results showed that mean relative precisions of processing parameters such as melt temperature, delay time, short shot size, water pressure, and mold temperature for inverse RBF model were 98.6%, 93.6%, 98.5%, 93.9%, and 97.9%, respectively, which met the accuracy requirements. Furthermore, compared with expected values of hollowed core ratios and wall thickness differences, the average errors of CAE and experiment were 2.3% and 4.9%, respectively.     

Methods and Applications of In Silico Aptamer Design and Modeling

Aptamers are nucleic acid analogues of antibodies with high affinity to different targets, such as cells, viruses, proteins, inorganic materials, and coenzymes. Empirical approaches allow the design of in vitro aptamers that bind particularly to a target molecule with high affinity and selectivity. Theoretical methods allow significant expansion of the possibilities of aptamer design. In this study, we review theoretical and joint theoretical-experimental studies dedicated to aptamer design and modeling. We consider aptamers with different targets, such as proteins, antibiotics, organophosphates, nucleobases, amino acids, and drugs. During nucleic acid modeling and in silico design, a full set of in silico methods can be applied, such as docking, molecular dynamics (MD), and statistical analysis. The typical modeling workflow starts with structure prediction. Then, docking of target and aptamer is performed. Next, MD simulations are performed, which allows for an evaluation of the stability of aptamer/ligand complexes and determination of the binding energies with higher accuracy. Then, aptamer/ligand interactions are analyzed, and mutations of studied aptamers made. Subsequently, the whole procedure of molecular modeling can be reiterated. Thus, the interactions between aptamers and their ligands are complex and difficult to understand using only experimental approaches. Docking and MD are irreplaceable when aptamers are studied in silico.     

Grain size dependence of hardness in nanocrystalline silicon carbide

The response of nanocrystalline silicon carbide (nc-SiC) to nanoindentation is investigated using molecular dynamics (MD) simulation. It is found that the hardness of the nc-SiC decreases with decreasing grain size, showing an inverse Hall-Petch relationship. The behavior is primarily attributed to the reduced number of intact covalent bonds with grain refinement. Dislocation nucleation and growth in nc-SiC are strongly suppressed by the grain boundaries (GBs). In addition to the dislocation region in the grains, the indentation-induced amorphization of nanograins proceeds preferentially from the GBs, leading to grain shrinkage until the grains are fully amorphized. The results provide an improved understanding of the mechanical properties in nc-SiC and other nanostructured covalent materials.     

萃取塔数学模型及过程强化的若干研究进展

萃取塔因生产能力大、占地面积小、密闭性好等优点，在石油、化工、生物、医药和环境工程等多领域被广泛应用。本文从以下几个方面介绍了萃取塔近些年的研究进展：综述了传统萃取塔（脉冲萃取塔、转盘塔与Kühni塔等）的水力学、轴向扩散与传质模型的发展，分析比较了表面张力、传质方向、放大效应等因素对模型的影响；介绍了计算流体动力学（CFD）在萃取塔中单液滴、单相流模拟、液-液两相流模拟、外加能量模拟、与群体平衡模型（PBM）耦合模拟中的应用进展；介绍了国内外设计开发的新型萃取塔，包括改变传统塔的内构件和引入多种外场能量等方式来强化相间传质。研究表明，将先进实验研究方法、准确经验模型和可靠理论计算相结合，将会是萃取塔研究的重要手段和方向。     

PDC钻头水力结构优化设计研究

在PDC钻头工作过程中，钻井液对钻头体表面的冲洗、冷却和润滑是保证钻头正常工作的一个非常重要的条件。对PDC钻头而言，水力结构（主要是中心水眼和冠部水道）设计的重要性尤其突出。以前,对钻头水力系统研究只能通过实验的方法进行,研究周期长、成本高、结构调整不方便，而数值模拟的方法在几年前还不成熟，甚至静态的复杂结构流场问题基本无法解决。为此，在提出PDC钻头水力结构优化设计原则的基础上，对PDC钻头的三维流场进行了数值模拟。模拟中考虑了钻头的喷嘴布置位置、直径、数量以及切削齿对流场的影响。计算结果表明，原设计在喷嘴布置位置和喷射角度上存在不足，以此为基础进行了水力结构的优化设计。文中的研究成果成功地应用在新型钻头水力结构的设计中，研究方法为PDC钻头水力结构优化分析奠定了理论基础。     

外伴管伴热系统传热特性及优化的数值研究

利用FLUEM软件,对外伴管伴热体系传热特性及其优化进行了数值分析与讨论.分析表明系统中存在传导、对流及辐射传热,其中封闭空气夹层又存在层流自然对流.计入空气对流的模拟表明,工艺管受热不均匀,而伴管布置在其正下方、保持空气层不被保温层挤占可提高伴热效果.伴热平衡时,伴热介质温度、热损失随物料温度近似线性增加.空气层均温假设导致工程设计不合理,而降低工艺管与伴管之间的热阻是提高伴热能力的关键.     

基于击键动力学和口令的双因素用户验证

提出基于击键动力学和口令的一种新的身份验证方法，该方法监视用户在输入口令时的用户击键特征的有关数据，通过采用监视键盘输入时一种新的三键持续时间的击键特征表示，用一种表示用户节奏的相对击键速度的距离衡量方式，在正常样本上建立用户模式，然后用新样本与用户模式的距离匹配情况来验证用户身份的合法性。实验表明该方法简单实用，识别效率高。     

A stochastic model for localized disturbances and its applications

A stochastic model for local disturbances, particularly for a temporal harmonic with random modulations in amplitude and/or phase, is proposed in this paper. Results for the second moment responses of a linear single-degree-of-freedom system to this type of stochastic loading demonstrate a significant change in response characteristics due to a small uncertainty. A local phenomenon may last much longer and resonance may be smeared to a broad range. Integrated with wavelet transform, the proposed approach may be used to model a random process with non-stationary frequency content. Especially, it can be effectively used for Monte Carlo simulation to generate large size of samples that have similar characteristics in time and frequency domains as a pre-selected mother sample has. The technique has a great potential for the case where uncertainty study is warranted but the available samples are limited.     

天然气吸附储存脱附过程的动态模拟

通过热动力学计算,认识了脱附过程当中储罐内温度剖面分布的典型特征:储罐轴心处的温度下降幅度最大。分析了脱附过程当中储罐壁的热交换、吸附剂的导热系数以及储罐内的初始压力对储罐内的温度剖面的影响。结论是加强储罐外壁的热交换、增大吸附剂的导热系数皆能改善吸附储罐内的温度剖面。