基于NR-Transformer的集群作业运行时间预测

高性能集群的作业调度通常使用作业调度系统来实现，准确填写作业运行时间能在很大程度上提升作业调度效率。现有的研究通常使用机器学习的预测方式，在预测精度和实用性上还存在一定的提升空间。为了进一步提高集群作业运行时间预测的准确率，考虑先对集群作业日志进行聚类，将作业类别信息添加到作业特征中，再使用基于注意力机制的NR-Transformer网络对作业日志数据建模和预测。在数据处理上，根据与预测目标的相关性、特征的完整性和数据的有效性，从历史日志数据集中筛选出7维特征，并按作业运行时间的长度将其划分为多个作业集，再对各作业集分别进行训练和预测。实验结果表明，相比于传统机器学习和BP神经网络，时序神经网络结构有更好的预测性能，其中NR-Transformer在各作业集上都有较好的性能。     

格点QCD基础求解器及其异构计算实现的性能优化

格点量子色动力学(格点QCD)是研究夸克、胶子等微观粒子间相互作用的重要理论和方法. 通过将时空离散化为四维结构网格, 并将量子色动力学的基本场量定义在网格上, 让研究人员可以使用数值模拟方法, 从第一性原理出发研究强子间相互作用和性质, 但这个过程中的计算量极大, 需要进行大规模并行计算. 格点QCD计算的核心基础为格点QCD求解器, 是程序运行主要的计算热点模块. 本文研究在国产异构计算平台下格点QCD求解器的实现与优化, 提出一套格点QCD求解器的设计实现, 实现了BiCGSTAB求解器, 显著降低了迭代次数; 通过对奇偶预处理技术, 降低了所求问题的计算规模; 针对国产异构加速卡的特点, 优化了Dslash模块的访存操作. 实验测试表明, 相比优化前的求解器获得了约30倍的加速比, 为国产异构超算下格点QCD软件性能优化提供了有益的参考价值.     

Mixing characteristics for the single and air-water two-phase flows in miniaturized parallel multichannel-based devices

Investigation on the miniaturized parallel multichannel-based devices packed with glass beads to improve the mass exchange execution is the critical focal point of the current study. One of the essential parameters to specify the miniaturized devices' flow distribution is the residence time distribution (RTD). In the present context, the RTDs of a liquid tracer were investigated for the air-water multiphase flows (concurrent) across the multichannel-based miniaturized devices (comprising of 11 similar dimensional parallel channels). The devices were variable in height and packed with glass beads. The conductivity estimations generated the RTD curves and were addressed by the axial dispersion model (ADM). The fluid-flow rates differed within the range of 5–23 ml min⁻¹. The axial dispersion coefficients and the rate of the specific energy dispersion were investigated. The effects of pressure difference and geometry on the hydrodynamic attributes and mixing properties were well-illustrated, and the new correlations were suggested.     

Designing amorphous formulations of polyphenols with naringin by spray-drying for enhanced solubility and permeability

Naringin (NAR), a major flavanone (FVA) glycoside, is a component of food mainly obtained from grapefruit. We used NAR as a food additive to improve the solubility and permeability of hydrophobic polyphenols used as supplements in the food industry. The spray-dried particles (SDPs) of NAR alone show an amorphous state with a glass transition temperature (T_g) at 93.2 °C. SDPs of hydrophobic polyphenols, such as flavone (FVO), quercetin (QCT), naringenin (NRG), and resveratrol (RVT) were prepared by adding varying amounts of NAR. All SDPs of hydrophobic polyphenols with added NAR were in an amorphous state with a single T_g, but SDPs of hydrophobic polyphenols without added NAR showed diffraction peaks derived from each crystal. The SDPs with NAR could keep an amorphous state after storage at a high humidity condition for one month, except for SDPs of RVT/NAR. SDPs with NAR enhanced the solubility of hydrophobic polyphenols, especially NRG solubility, which was enhanced more than 9 times compared to NRG crystal. The enhanced solubility resulted in the increased membrane permeability of NRG. The antioxidant effect of the hydrophobic NRG was also enhanced by the synergetic effect of NAR. The findings demonstrated that NAR could be used as a food additive to enhance the solubility and membrane permeability of hydrophobic polyphenols.     

In situ 2D mapping of hydrogen entry into an Fe sheet under a droplet of NaCl solution using a hydrogenochromic sensor

The distribution of hydrogen entering an Fe sheet under a droplet of NaCl solution was successfully visualized using a hydrogenochromic sensor consisting of a polyaniline layer and a Ni intermediate layer. At the initial stage of corrosion, the hydrogen entry was barely confirmed. The hydrogen entry was observed as the corrosion proceeded, and the preferential hydrogen entry site corresponded to the rust-formed area. It was postulated that the hydrogen entry is promoted by the decrease in pH due to the hydrolysis reactions of Fe ions under the rust. The hydrogenochromic sensor paves the way for the visualization of the hydrogen entry into metals under corrosion conditions.     

Experimental investigation of gas-liquid flow in a vertical venturi installed downstream of a horizontal blind tee flow conditioner and the flow regime transition

A venturi device is commonly used as an integral part of a multiphase flowmeter (MPFM) in real-time oil-gas production monitoring. Partial flow mixing is required by installing the venturi device vertically downstream of a blind tee pipework that conditions the incoming horizontal gas-liquid flow (for an accurate determination of individual phase fraction and flow rate). To study the flow-mixing effect of the blind tee, high-speed video flow visualization of gas-liquid flows has been performed at blind tee and venturi sections by using a purpose-built transparent test rig over a wide range of superficial liquid velocities (0.3–2.4 m/s) and gas volume fractions (10–95%). There is little ‘homogenization’ effect of the blind tee on the incoming intermittent horizontal flow regimes across the tested flow conditions, with the flow remaining intermittent but becoming more axis-symmetric and predictable in the venturi measurement section. A horizontal (blind tee) to vertical (venturi) flow-pattern transition map is proposed based on gas and liquid mass fluxes (weighted by the Baker parameters). Flow patterns can be identified from the mean and variance of a fast electrical capacitance holdup measured at the venturi throat.     

近五年地质学领域研究热点的数据可视化分析

本文选取2016年1月至2021年7月在地质学领域权威期刊：《地质学报》、《岩石学报》、《地学前缘》上发表的文献为研究对象,利用Endnote、Excel和Vosviewer等软件对数据进行相应的整理和清洗,分析了相关热点与关键词的耦合关系。结果显示：在成矿时代同位素定年的研究中,Lu-Hf年代学逐渐成为地学研究的一个热点；随着测试分析手段的进步,西藏地区作为研究青藏高原前寒武纪-早古生代演化历史的关键,逐渐成为当下国内外研究热点地区；随着信息技术的发展,地学研究的数据化、信息化,已成为地质学研究的热门方向。     

平面并联机构工作空间的三维螺旋扫描CAD求解

针对平面并联机构无奇异位置工作空间求解困难、过程繁琐、计算量大等问题，提出了基于CAD求解平面并联机构工作空间的三维螺旋扫描方法。将[n]自由度平面并联机构分解成[n]条支链进行独立分析，得到每条支链下末端执行器的可达区域，再将所有支链可达区域取交集即为平面并联机构工作空间。应用SolidWorks软件建立平面并联机构模型，进行几何特征处理，通过自动求解器求解，将求解过程图形化，快速得到同轴布局5R机构和平面3-RPR并联机构的无奇异位置工作空间。通过同轴布局5R机构的运动学实验，验证了该求解方法的可行性。     

Full Eulerian deformable solid-fluid interaction scheme based on building-cube method for large-scale parallel computing

We propose a full Eulerian incompressible solid-fluid interaction scheme capable of achieving high parallel efficiency and easily generating meshes for complex solid geometries. While good scalability of a full Eulerian solid-fluid interaction formulation has been reported by Sugiyama et al, their analysis was carried out using uniform Cartesian mesh and an artificial compressibility method. Typically, it is more challenging to achieve good scalability for hierarchical Cartesian meshes and a fully incompressible formulation. In addition, the conventional full Eulerian methods require a large computational cost to resolve complex solid geometries due to the usage of uniform Cartesian meshes. In an attempt to overcome the aforementioned issues, we employ the building-cube method, where the computational domain is divided into cubic regions called cubes. Each cube is divided at equal intervals, the same number of cubes is assigned to each core, and the spatial loop processing is executed for each cube. The numerical method is verified by computing five numerical examples. In the weak scaling test, the parallel efficiency at 32768 cores with 32 cores as a reference is 93.6%. In the strong scaling test, the parallel efficiency at 32768 cores with 128 cores as a reference is 70.2%.