新型地锚张弦梁式泥石流格栅坝构件受力的简化计算方法

针对常见泥石流防治结构被冲击破坏的问题，基于“柔性消能”理念，结合张弦梁结构和竖向预应力锚杆技术，提出一种既能改善结构受力性能、增加结构整体抗冲击能力、保证结构安全可靠，又能减小结构构件截面尺寸、节约成本、便于现场施工组装和后期运营维护的新型地锚张弦梁式泥石流格栅坝，并阐述其技术原理。根据泥石流荷载分布和新型地锚张弦梁式泥石流格栅坝的受力特征，给出其简化的内力计算方法；并利用SAP2000建立新结构有限元模型，分析了结构的整体受力，验证了构件简化计算方法的合理性；结合Python语言和Qt De? signer软件开发了相应的设计计算软件，对新型地锚张弦梁式泥石流格栅坝的内力进行求解。结果表明：提出的新结构抗冲击性能好，构件受力均匀；以后设计中应关注竖杆的剪切脆性破坏和立柱偏心受力情况，保证结构安全；变形协调仅使底层张弦梁与竖杆内力偏大，实际工程应用时，应着重验算底层构件，防止其破坏；文中提出的简化计算方法能较准确的反映结构的受力特性，具有一定的合理性，研究可为新型地锚张弦梁式泥石流格栅坝的设计计算和推广应用提供理论依据和技术支持。     

Nanoarchitectonics of CdS/ZnSnO3 heterostructures for Z-Scheme mediated directional transfer of photo-generated charges with enhanced photocatalytic performance

The construction of heterostructure is an effective strategy to synergetically couple wide-band-gap with the narrow-band-gap semiconductor with a mediate optical property and charge transfer capability. Herein, the Z-Scheme CdS/ZnSnO₃ (CdS/ZSO) heterostructures were constructed by anchoring CdS nanoparticles on the surface of double-shell hollow cubic ZnSnO₃ via the hydrothermal method. The direct recombination of excited electrons in the conduction band (CB) of ZSO and holes in the valence band (VB) of CdS via d-p conjugation at the interface greatly accelerated the internal electric field (IEF). The transfer mode follows the Z-Scheme mechanism, where CdS/ZSO synergistically facilitates the efficient charges transfer from CdS to ZnSnO₃ through the intimate interface. Here, ZnSnO₃ and CdS serve as an oxidation photocatalyst (OP) and reduction photocatalyst (RP), respectively. Thus, it can promote synergistically the oxidation half-reaction and reduction half-reaction of H₂ evolution. The density-functional theory (DFT) calculation further confirms the charges transfer from CdS to ZnSnO₃. The hydrogen evolution of 5% CdS/ZSO heterostructure reached 1167.3 μmol g^?1, which was about 8 and 3 folds high compared to pristine ZSO (141.9 μmol g^?1) and CdS (315.5 μmol g^?1), during 3 h of reaction respectively. Furthermore, the CdS/ZSO heterostructures could suppress the photo corrosion of CdS, resulting in its high stability. This work is expected to enlighten the rational design of heterostructure for OP and RP to promote the hybrid heterostructures photocatalytic H₂ evolution.     

Theoretical study on a kind of cyclization mechanism of boron trichloride and hexamethyldisilazane to form the borazine ring for SiBCN ceramics precursor

Borazine rings act as a pivotal part in siliconboroncarbonitride ceramics (SiBCN) for high-temperature stability and great resistance to crystallization. A detailed investigation of the ring formation mechanism will guide the design and synthesis of SiBCN to meet application requirements under extreme conditions. Boron trichloride (BCl₃) and hexamethyldisilazane (HN(SiMe₃)₂) are common raw materials for the synthesis of precursors for SiBCN. In this paper, quantum chemical calculation was used to study the cyclization reaction mechanism between BCl₃ and HN(SiMe₃)₂ to form trichloroborazine (TCBZ) at the MP2/6-31G (d,p) level of theory. We discussed the structure properties, reaction pathways, energy barriers, reaction rates, and other aspects in detail. The results show that BCl₃ and HN(SiMe₃)₂ alternately participate in the reaction process, accompanied by the release of trimethylchlorosilane (TMCS), and that the entire reaction shows an absolute advantage in terms of energy. In the Step by step reaction, lower reaction barriers are formed due to the introduction of BCl₃ with more heat released compared to that for the introduction of HN(SiMe₃)₂. The final single-molecule cyclization and TMCS elimination steps are found to be faster compared to all previous bimolecular reactions.     

Display illumination with modulated directional backlight

Illumination is essential for modern life as colorful world is perceived by human visionary system. Display technology has been developing rapidly in recent decades, and the basic principle is related to the way that the image is illuminated and light is emanated. Traditional illumination is provided by different types of light sources, and the display image is visible in large viewing space until the emanating light decays to zero. This work proposes and demonstrates a novel illumination scheme for a display in which the displaying images are visible only in specific spatial regions. The directional backlight ensures the image propagating to specific direction while imaging visibility can be controlled to terminate abruptly at certain distance from the display screen while exerting no influence to nearby regions. The working principle for such an illumination scheme is the use of the modulated coherent directional backlight through an axicon lens. It is shown that the illumination scheme can robustly deliver carried image information to the designated viewing region. This new illumination scheme has many advantages over conventional illumination, including its usage for personal display, very lower energy consumption, as well as minimizing light hazard pollution.     

Evaluation of Scale and Corrosion Inhibition of Modified Polyaspartic Acid

Amino acid modified polyaspartic acids were evaluated as calcium-scale inhibitors. Feasibility of scale inhibition experiments was analyzed by molecular dynamics simulation and Gaussian optimization, and the scale inhibition mechanism was theoretically analyzed. Scale inhibition performance was studied by scanning electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, static scale inhibition experiments, and electrochemical performance testing, which provided an experimental basis for the molecular dynamics simulation. The experimental results showed that Arg-SA-PASP has better scale inhibition and corrosion inhibition performance than His-SA-PASP. The scale inhibition effect increased with increasing concentration. Electrochemical tests indicated that Arg-SA-PASP is an excellent scale and corrosion inhibitor.     

高温氢工质热物理性质计算分析

氢工质在新能源与动力、航天推进、化工材料等领域有着广泛应用。通过开展高温氢工质热力学与输运性质研究，建立了原子态氢、分子态氢、热解平衡态氢的热物理性质计算模型，开发了热物性计算程序Prop_H_H2，适用范围为温度100~3 500 K、压力104~5×107 Pa 。验证表明，Prop_H_H2在适用范围内计算氢工质的物性参数合理可靠，在温度200~3 000 K、压力104~107 Pa范围内，程序预测值更加准确，相对偏差在±5%左右。本研究可为氢工质相关的航天推进、应用物理学、能源动力等行业的科研和应用提供支持借鉴。     

某铁矿隔水护顶矿柱厚度计算及安全影响预测

科学合理地确定矿山隔水护顶矿柱安全厚度是矿山安全生产的前提条件，为保障某铁矿地表民房、道路等建（构）筑物安全，防止矿山开采过程中产生的导水裂隙带贯通第四系含水层，采用荷载传递交汇线法、K.B.鲁别涅依他估算法和冒落带、导水裂隙带高度估算法3种理论分析方法对隔水护顶矿柱厚度进行计算，并利用数值模拟手段对留设隔水护顶矿柱后的开采过程安全影响进行了分析，对理论计算结果进行了验证。3种理论计算方法得出的隔水护顶矿柱厚度分别为14.3～17.3 m、17.5～31.4 m和41.8～57.4 m，推荐隔水护顶矿柱留设厚度为60 m。通过数值模拟分析得出，在留设60 m厚的隔水护顶矿柱的基础上，开采区域和隔水护顶矿柱位置产生的最大拉应力约0.47 MPa，矿山开采不会对隔水护顶矿柱造成破坏；地表产生的最大水平位移约5.8 cm，最大垂直位移约26.5 cm，最大倾斜为1.70 mm/m，最大曲率为0.20 mm/m2，最大水平变形值为0.70 mm/m，满足相关规范要求，预测矿山开采不会造成地表建（构）筑物破坏。     

测量二次电子空间分布特征矩阵法的有效性分析

为了准确测量不同材料在实际环境中的二次电子空间分布，设计了一种新型的二次电子发射空间分布测量结构，给出了实验测量原理，用求解特征矩阵的方法对实验结果进行处理，得到了所需的二次电子空间分布。通过模拟计算对该测量方法进行了校验，模拟结果与假设二次电子空间分布函数相吻合，表明该测量方法可靠、测量精度高，为后续样机研制奠定了理论基础。     

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.     

Experimental and numerical study on compressive performance of perforated brick masonry after fire exposure

This paper discusses the compressive performance of perforated brick masonry after fire exposure. Compressive strength tests of the mortar, clay perforated brick, and perforated brick masonry specimens were performed in accordance with ISO834 fire tests of different durations. The temperature distribution of the masonry materials and specimens was simulated using the finite element software ABAQUS, with the thermal parameters of masonry materials recommended by European standard Eurocode 6 and related literature. The compressive strength reduction factors of mortar and clay perforated brick exposed to different fire durations were calculated via the layered method suggested by European standard Eurocode 1. In addition, the compressive strength reduction factors after cooldown were obtained from the experimental data of the masonry materials, and by considering further reductions in the compressive strength after cooling from high temperatures. Experimental data of the masonry specimens were compared with the numerical results obtained using the reduction factors proposed in this work. The comparison revealed an overall acceptable approximation. Thus, the method presented in this paper can be used to evaluate the residual capacity of masonry structures after fire.