反应堆堆芯先进中子学模拟软件SCAP-N研发

堆芯中子学计算是反应堆设计分析的基础，为提高堆芯中子学计算的模拟分辨率与计算精度，开发了反应堆堆芯先进中子学模拟软件（SCAP-N）。该程序首先根据轴向特征对堆芯进行分层，并逐层进行二维堆芯非均匀输运计算，再采用超级均匀化方法（SPH）获得栅元等效均匀化截面，最后进行三维堆芯逐棒（pin-by-pin）输运计算，获得堆芯有效增殖因子与精细棒功率分布。为提高程序计算效率，采用分布式/共享式（MPI/OPENMP）混合并行方式对程序进行了并行化开发。利用虚拟反应堆（VERA）系列基准例题及美国先进非能动压水堆（AP1000）启动物理试验实测数据对程序进行了测试验证。结果表明，相比于商用核设计程序系统，SCAP-N程序采用的逐棒输运技术能够提高堆芯中子学的计算精度。与同类型高精度中子学程序相比，SCAP-N具有更高的计算效率，可进一步提高核电厂的经济性及运行灵活性。      

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.     

数值堆材料辐照损伤并行动力学蒙特卡罗软件MISA-AKMC的设计与实现

材料辐照损伤模拟是数值堆软件的重要内容。原子动力学蒙特卡罗（AKMC）方法是研究核材料辐照行为的重要手段，可在保持原子级别精度下，有效地扩展模拟的时间尺度到秒甚至年量级。但在面向实际应用需求时，其仍面临内存限制和复杂的计算量等挑战。通过并行计算技术提升计算效率是解决这一挑战的有效手段。本文论述一款并行AKMC程序MISA-AKMC的设计原理与实现技术。MISA-AKMC实现了一种并行KMC模拟框架，重点包括sub-lattice并行算法的实现、加速优化方法、转发通信方法、KMC模型接口等。基于该框架，开发了空位-间隙的演化模型，可实现热老化模拟和析出模拟。通过并行性能测试获得了良好的并行性能，结合算例结果验证说明了MISA-AKMC的正确性和可靠性。     

遗传算法优化的线性二次型调节器控制下3-UPS并联机器人稳定性分析

通过对3-UPS并联机器人进行动力学建模与状态空间分析,基于遗传算法(GA)优化的线性二次型调节器(LQR)控制方法对其进行控制仿真,结合多体系统振动理论,并运用MATLAB软件和ADAMS软件联合仿真,分别对该并联机器人在动平台施加外部载荷、定平台施加随机振动,以及动、定平台施加复合干扰3种情况下机器人的末端稳定性进行分析。结果表明:GA优化的LQR控制下,机器人动平台质心振动的衰减时间和振动幅度都明显减小,且共振峰也明显降低,但是高频振动处的减振效果不明显;机器人动平台质心x和y方向的共振频率均保持在5 Hz左右,而z方向的共振频率却有明显的后移现象,逐渐向高频(10 Hz)靠近。该研究为分析并联机器人稳定性与工作精度提供了一定的理论基础。     

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%.     

底板带压开采工作面并行电透视探测技术应用研究

汾西矿务局水峪矿部分工作面现已面临带压开采问题，受下伏奥陶系灰岩水害影响，工作面安全回采过程中的防治水工作难度增加，尤其是带压开采工作面底板灰岩水的有效探测变得异常紧迫与重要。为了解决底板带压开采工作面富水区的探测问题，水峪矿引入了并行电透视技术，并对相应工作面进行了探测应用。并行电透视技术相对于传统音频电透视技术具有仪器智能化控制发射接收切换、一发射点并行对应多接收点、仪器智能快速高效跑极施工的3项技术优势，可体现应用现场施工高效、实际探测效果可靠的技术特点。经过对并行电透视技术及探测应用效果分析研究，证明该方法技术领先，现场施工高效，实际探测结果可靠，实用性强。