Fourier neural operator approach to large eddy simulation of three-dimensional turbulence

Fourier neural operator (FNO) model is developed for large eddy simulation (LES) of three-dimensional (3D) turbulence. Velocity fields of isotropic turbulence generated by direct numerical simulation (DNS) are used for training the FNO model to predict the filtered velocity field at a given time. The input of the FNO model is the filtered velocity fields at the previous several time-nodes with large time lag. In the a posteriori study of LES, the FNO model performs better than the dynamic Smagorinsky model (DSM) and the dynamic mixed model (DMM) in the prediction of the velocity spectrum, probability density functions (PDFs) of vorticity and velocity increments, and the instantaneous flow structures. Moreover, the proposed model can significantly reduce the computational cost, and can be well generalized to LES of turbulence at higher Taylor-Reynolds numbers.     

Environmental flow requirements for integrated water resources allocation in the Yellow River Basin,China

Based on the classification and regionalization of the ecosystem, multiple ecological management objectives and the spatial variability of the environmental flow requirements of the Yellow River Basin were analyzed in this study. The summation rule was used to calculate water consumption requirements and the compatibility rule, i.e., “maximum” principle, was also adopted to estimate the non-consumptive use of water in the river basin. The environmental flow requirements for integrated water resources allocation were determined by identifying the natural and artificial water consumption in the Yellow River Basin. The results indicated that the annual minimum environmental flow requirements amounted to 317.62 × 10⁸ m³, which represented 54.76% of the natural river flows, while for the environmental flow requirements for the integrated water resources allocation were 262.47 × 10⁸ m³, which represented 45.25% of the natural river flows. The highest percentage of environmental flow requirements was 93.64% for the river ecosystem. It can be concluded that the primary concerns should be put on the downstream river water requirements to determine the environmental flows for integrated water resources allocation in a river basin.     

Multiple Scattering Between Adjacent Sound Sources in Head-Related Transfer Function Measurement System

To accelerate head-related transfer functions (HRTFs) measurement, two or more independent sound sources are usually employed in the measurement system. However, the multiple scattering between adjacent sound sources may influence the accuracy of measurement. On the other hand, the directivity of sound source could induce measurement error. Therefore, a model consisting of two spherical sound sources with approximate omni-directivity and a rigid-spherical head is proposed to evaluate the errors in HRTF measurement caused by multiple scattering between sources. An example of analysis using multipole re-expansion indicates that the error of ipsilateral HRTFs are within the bound of ± 1.0 dB below a frequency of 20 kHz, provided that the sound source radius does not exceed 0.025 m, the source distance relative to head center is not less than 0.5 m, and the angular interval between two adjacent sources is not less than 20 degrees. Similar conclusions under different conditions can also be analyzed and discussed by using this calculation method. Furthermore, the results are verified by measurements of HRTFs for a rigid sphere and a KEMAR artificial head.     

基于金属掺杂ITO透明导电层的紫外LED制备

为降低ITO薄膜对紫外波段的光吸收,制备低电压高功率的紫外LED,研究了一种基于金属掺杂ITO透明导电层的365 nm紫外LED的制备工艺。利用1 cm厚的石英片生长了不同厚度ITO薄膜以及在ITO上掺杂不同金属的新型薄膜,并研究了在不同的退火条件下这种薄膜的电阻和透过率,分析了掺杂金属ITO薄膜的带隙变化。将这种掺杂的ITO薄膜生长在365 nm外延片上并完成电极生长,制备成14 mil×28 mil的正装LED芯片。利用电致发光（EL）设备对LED光电性能进行测试并对比。实验结果表明:掺Al金属的ITO薄膜能够相对ITO薄膜的带隙提高0.15 eV。在600℃退火后,方块电阻降低6.2 Ω/□,透过率在356 nm处达到90.8%。在120 mA注入电流下,365 nm LED的电压降低0.3 V,功率提高14.7%。ITO薄膜掺金属能够影响薄膜带隙,改变紫光LED光电性能。     

高分辨率光谱学揭示东太平洋CC区结核金属赋存状态及富集机制

赤道东太平洋克拉里昂-克利珀顿带（CCZ）是全球最有经济潜力的结核成矿带,存在巨量的Mn,Co,Ni,Cu,Zn和Li金属资源。前人对CCZ结核的研究偏重化学、矿物学分析,对结核显微纹层、金属赋存状态缺少高分辨率光谱学分析,制约了对金属富集机制的理解。采用扫描电镜（SEM）、X射线衍射仪(XRD)、微区X射线荧光面扫(XRF)、激光剥蚀电感耦合多接受质谱仪(LA-ICP-MS)对克拉里昂-克利珀顿带结核的显微纹层展开高分辨率分析,结果表明结核是由水成层韵律和成岩层韵律交替形成的。水成层由水羟锰矿组成,具有低的Mn/Fe,Li,Ni,Cu,Zn和高的Co,Fe,Ti,V含量,推测受铁的羟基氧化物库仑力吸附作用和高价锰氧化物八面体的表面氧化作用,水成层吸纳高含量Co,Ti和V元素。成岩层矿物组分主要是水钠锰矿,吸纳高含量的Li,Ni,Cu和Zn,其吸纳能力随Mn/Fe升高而提高,当Mn/Fe>8达到峰值。笔者认为结核生长环境中的Mn和Fe相对通量控制了结核的矿物类型和化学组分,而金属通量也可能影响了结核的金属成分。     

铑(Ⅰ)/三-H_8-联萘单齿亚磷酸酯高效催化双环戊二烯氢甲酰化制备双醛（英文）

双环戊二烯(DCPD)是石脑油和燃料油裂解蒸汽的C5馏分中最重要的组分之一.DCPD经氢甲酰化反应可转化为具有广泛应用前景的三环癸烷不饱和单甲醛(TCDMA)和三环癸烷二甲醛(TCDDA),并可通过还原或胺化进一步转化为相应的醇和胺类化合物,用于农药、医药、润滑油和香料等的合成.但是,由于其分子结构中含有3,4-位和8,9-位两种不同活性的不饱和双键,因此DCPD氢甲酰化反应的产物通常非常复杂.过去数十年,研究者们为此相继开发了高转化率和高选择性的催化体系.但是反应条件相对都比较苛刻,尤其是对于双醛TCDDA的合成,通常需要较高的反应温度和反应压力以及大量的催化剂.本文以2'-联萘位置含有不同酯取代基(OCOMe,OCOPh,OCOAdamantyl和OCOPhCl)的三-H8-联萘单齿亚磷酸酯L1-L4为配体,以不同价态的金属铑前驱体为催化剂,开发了Rh催化DCPD氢甲酰化反应的新体系,并对亚磷酸酯配体、不同价态的金属铑催化剂前驱体、反应温度、反应时间、溶剂以及不同的底物和催化剂的S/C摩尔比对DCPD转化率和TCDDA选择性的影响进行了深入的研究.结果表明,当以金属铑前驱体Rh(acac)(CO)_2和配体L4-OCOPhCl为催化体系时,在DCPD氢甲酰化反应中表现出很高的活性,尤其是当S/C=4000时,TON值达到3286,并且该催化体系对于双醛TCDDA具有良好的选择性.值得注意的是,在相对温和的条件(6 MPa,120℃)下,Rh(Ⅰ)催化剂与氯苯酯基取代的三-H_8-联萘单齿亚磷酸酯所形成的配合物在催化DCPD的氢甲酰化反应中,DCPD的转化率达到99.9%,而双醛TCDDA的选择性达到98.7%.此外,我们采用L4-OCOPhCl作为模型单齿磷酸配体,在溶液中通过NMR对可能形成的Rh(Ⅰ)/亚磷酸酯催化物种进行了深入的考察.~(13)P NMR谱图表明,在DCPD的氢甲酰化反应中,催化物种[Rh(acac)(CO)(L4-OCOPhCl)]比[Rh(acac)(CO)(L2-OCOPh)]具有更好的稳定性,而且只有体积较大的配体L4-OCOPhCl才能与铑前驱体Rh(acac)(CO)_2进行很好的配位.     

Constrained large-eddy simulation of turbulent flow over inhomogeneous rough surfaces

In this work we extend the method of the constrained large-eddy simulation(CLES) to simulate the turbulent flow over inhomogeneous rough walls. In the original concept of CLES, the subgrid-scale(SGS) stress is constrained so that the mean part and the fluctuation part of the SGS stress can be modelled separately to improve the accuracy of the simulation result. Here in the simulation of the rough-wall flows, we propose to interpret the extra stress terms in the CLES formulation as the roughness-induced stress so that the roughness inhomogeneity can be incorporated by modifying the formulation of the constrained SGS stress. This is examined with the simulations of the channel flow with the spanwise alternating high/low roughness strips. Then the CLES method is employed to investigate the temporal response of the turbulence to the change of the wall condition from rough to smooth. We demonstrate that the temporal development of the internal boundary layer is just similar to that in a spatial rough-tosmooth transition process, and the spanwise roughness inhomogeneity has little impact on the transition process.     

Flow structures,nonlinear inertial waves and energy transfer in rotating spheres

We investigate flow structures, nonlinear inertial waves and energy transfer in a rotating fluid sphere, using a Galerkin spectral method based on helical-wave decomposition (HWD). Numerical simulations of flows in a sphere are performed with different system rotation rates, where a large-scale forcing is employed. For the case without system rotation, the intense vortex structures are tube-like. When a weak rotation is introduced, small-scale structures are reduced and vortex tubes tend to align with the rotation axis. As the rotation rate increases, a large-scale anticyclonic vortex structure is formed near the rotation axis. The structure is shown to be led by certain geostrophic modes. When the rotation rate further increases, a cyclone and an anticyclone emerge from the top and bottom of the boundary, respectively, where two quasi-geostrophic equatorially symmetric inertial waves dominate the flow. Based on HWD, effects of spherical confinement on rotating turbulence are systematically studied. It is found that the forward cascade becomes weaker as the rotation increases. When the rotation rate becomes larger than some critical value, dual energy cascades emerge, with an inverse cascade at large scales and a forward cascade at small scales. Finally, the flow behavior near the boundary is studied, where the average boundary layer thickness gets smaller when system rotation increases. The flow behavior in the boundary layer is closely related to the interior flow structures, which create significant mass flux between the boundary layer and the interior fluid through Ekman pumping.