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OPTIMAL SCHEME FOR SEQUENTIAL COMPUTATIONS OF F_m(z) INTEGRALS IN AB INITIO CALCULATIONS----COMBINATORY USE OF UPWARD AND DOWNWARD RECURSIONS
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《Chemical Research in Chinese Universities》 SCIE CAS 1986年第1期76-84,共9页
The quantitative rules of the transfer and variation of errors,when the Gaussian integral functions F.(z) are evaluated sequentially by recurring,have been expounded.The traditional viewpoint to negate the applicabili... The quantitative rules of the transfer and variation of errors,when the Gaussian integral functions F.(z) are evaluated sequentially by recurring,have been expounded.The traditional viewpoint to negate the applicability and reliability of upward recursive formula in principle is amended.An optimal scheme of upward-and downward-joint recursions has been developed for the sequential F(z) computations.No additional accuracy is needed with the fundamental term of recursion because the absolute error of Fn(z) always decreases with the recursive approach.The scheme can be employed in modifying any of existent subprograms for Fn<z> computations.In the case of p-d-f-and g-type Gaussians,combining this method with Schaad's formulas can reduce,at least,the additive operations by a factor 40%;the multiplicative and exponential operations by a factor 60%. 展开更多
关键词 COMBINATORY USE OF UPWARD AND DOWNWARD RECURSIONS INTEGRALS IN AB INITIO calculationS OPTIMAL scheme FOR SEQUENTIAL COMPUTATIONS OF F_m down AB
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TRANSONIC FLOW CALCULATION OF EULER EQUATIONS BY IMPLICIT ITERATING SCHEME WITH FLUX SPLITTING
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作者 Liu Dao-zhi and Zha Ge-chengBeijing University of Aeronautics and Astronautics 《Chinese Journal of Aeronautics》 SCIE EI CAS CSCD 1991年第4期361-368,共8页
Three dimensional Euler equations are solved in the finite volume form with van Leer's flux vector splitting technique. Block matrix is inverted by Gauss-Seidel iteration in two dimensional plane while strongly im... Three dimensional Euler equations are solved in the finite volume form with van Leer's flux vector splitting technique. Block matrix is inverted by Gauss-Seidel iteration in two dimensional plane while strongly implicit alternating sweeping is implemented in the direction of the third dimension. Very rapid convergence rate is obtained with CFL number reaching the order of 100. The memory resources can be greatly saved too. It is verified that the reflection boundary condition can not be used with flux vector splitting since it will produce too large numerical dissipation. The computed flow fields agree well with experimental results. Only one or two grid points are there within the shock transition zone. 展开更多
关键词 TRANSONIC FLOW calculation OF EULER EQUATIONS BY IMPLICIT ITERATING scheme WITH FLUX SPLITTING FLOW
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将In_(2)O_(3)/CdSe-DETA纳米复合材料中的电荷转移从Type-Ⅰ转变为S-Scheme以提高光催化制氢的活性和稳定性
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作者 李真 刘雯 +3 位作者 陈春旭 马婷婷 张金锋 王正华 《物理化学学报》 SCIE CAS CSCD 北大核心 2023年第6期64-74,共11页
化石能源的问题限制了人类的发展。解决这个问题的有效方法是发展可持续性的清洁能源。近年来,氢气作为一种新型的清洁能源被争相报道。氢气燃烧热很大,且产物只有水,完全符合绿色环保可持续性能源的特点。因此,解决氢能源的生产方法就... 化石能源的问题限制了人类的发展。解决这个问题的有效方法是发展可持续性的清洁能源。近年来,氢气作为一种新型的清洁能源被争相报道。氢气燃烧热很大,且产物只有水,完全符合绿色环保可持续性能源的特点。因此,解决氢能源的生产方法就可以有效地解决能源危机问题。自TiO_(2)在1972年作为光催化剂分解水产生氢气开始,半导体光催化剂分解水产生氢气登上了历史的舞台。然而,单一组分光催化剂的固有缺点限制了它的实际应用,寻找克服单一组分光催化剂缺点的解决方案仍然具有挑战性。相对于单一的光催化剂,复合材料光催化剂可以更有效地分离光生电子和空穴,增加光催化析氢反应的速率。因此,通过选择复合材料异质结处合适的光催化机制(如:S-scheme),可以进一步提升催化剂的光催化析氢活性和稳定性。本文通过改变合成条件获得了一系列具有不同带隙宽度的单一CdSe-DETA光催化剂。光催化实验显示调节CdSe-DETA的带隙(2.31eV)可以获得最佳的光催化产氢活性,但是其稳定性很差。因此,我们将CdSe-DETA纳米花附着在In2O3多孔纳米片表面,构建了In_(2)O_(3)/CdSe-DETA纳米复合材料,以提升光催化析氢活性,稳定性和光电流响应。In_(2)O_(3)/CdSe-DETA纳米复合材料中异质结的类型可随着CdSe-DETA带隙宽度的改变而变化。随着CdSe-DETA带隙宽度的增加,异质结的类型可从Type-I型转变到S-scheme型。相对于单一光催化剂和Type-I型光催化剂,S-scheme型In_(2)O_(3)/CdSe-DETA纳米复合材料具有更高的光催化活性以及良好的稳定性。因此,我们选择S-scheme异质结的In_(2)O_(3)/CdSe-DETA纳米复合材料来获得光催化活性和稳定性的最大收益。此外,我们通过差分电荷密度计算结合实验结果证实了S-scheme异质结的存在。S-scheme异质结In_(2)O_(3)/CdSe-DETA纳米复合材料有效分离了光生电子和空穴,最大程度地利用复合材料的导带和价带,高效且稳定的光催化析氢。本研究展示了一种调制载流子转移机制的策略,可为开发高效的析氢光催化剂提供借鉴。 展开更多
关键词 带隙 S-scheme 理论计算 析氢 光腐蚀
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Suggestions for Promoting China’s Drug Regulatory Agency to Join Pharmaceutical Inspection Co-operation Scheme-PIC/S
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作者 Hu Shigao Wu Zhiang 《Asian Journal of Social Pharmacy》 2023年第3期206-212,共7页
Objective To identify and reduce the gap between China’s drug GMP inspection and pharmaceutical inspection co-operation scheme(PIC/S)audit checklist,find out the key improvement items,and revise them pertinently,whic... Objective To identify and reduce the gap between China’s drug GMP inspection and pharmaceutical inspection co-operation scheme(PIC/S)audit checklist,find out the key improvement items,and revise them pertinently,which will promote the process of China joining PIC/S.Methods The general situation of PIC/S organization and audit checklist were introduced first,and then the accession of several countries that joined the organization was analyzed.Meanwhile,the process of China’s participation in PIC/S was sorted out.After referring to the contents of PIC/S audit checklist,the problems of GMP inspection system in China were studied.Results and Conclusion There are still many problems in GMP inspection in China.Some suggestions are put forward for improvement and change,which can provide reference for the development of drug inspection agencies at all levels in China. 展开更多
关键词 GMP inspection pharmaceutical inspection co-operation scheme(PIC/S) audit checklist drug regulatory agency
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Optimization of dewatering schemes for a deep foundation pit near the Yangtze River, China 被引量:5
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作者 Yang You Changhong Yan +2 位作者 Baotian Xu Shi Liu Canhui Che 《Journal of Rock Mechanics and Geotechnical Engineering》 CSCD 2018年第3期555-566,共12页
A deep foundation pit constructed for an underground transportation hub was excavated near the Yangtze River. Among the strata, there are two confined aquifers, between which lies an aquiclude that is partially missin... A deep foundation pit constructed for an underground transportation hub was excavated near the Yangtze River. Among the strata, there are two confined aquifers, between which lies an aquiclude that is partially missing. To guarantee the safety of pit excavation, the piezometric head of the upper confined aquifer, where the pit bottom is located, should be 1 m below the pit bottom, while that of the lower confined aquifer should be dewatered down to a safe water level to avoid uplift problem. The Yangtze River levee is notably close to the pit, and its deformation caused by dewatering should be controlled. A pumping test was performed to obtain the hydraulic conductivity of the upper confined aquifer. The average value of the hydraulic conductivity obtained from analytical calculation is 20.45 m/d, which is larger than the values from numerical simulation(horizontal hydraulic conductivity K_H = 16 m/d and vertical hydraulic conductivity K_V = S m/d). The difference between K_H and K_V indicates the anisotropy of the aquifer. Two dewatering schemes were designed for the construction and simulated by the numerical models for comparison purposes. The results show that though the first scheme could meet the dewatering requirements, the largest accumulated settlement and differential settlement would be94.64 mm and 3.3‰, respectively, greatly exceeding the limited values. Meanwhile, the second scheme,in which the bottoms of the waterproof curtains in ramp B and the river side of ramp A are installed at a deeper elevation of-28 m above sea level, and 27 recharge wells are set along the levee, can control the deformation of the levee significantly. 展开更多
关键词 Deep foundation pit Parameter calculation Dewatering schemes Numerical simulation
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PROGRESS IN THE STUDY OF RETROSPECTIVE NUMERICAL SCHEME AND THE CLIMATE PREDICTION
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作者 董文杰 丑洁明 封国林 《Acta Mechanica Sinica》 SCIE EI CAS CSCD 2004年第5期455-464,共10页
The retrospective numerical scheme(RNS)is a numerical computation scheme de- signed for multiple past value problems of the initial value in mathematics and considering the self- memory property of the system in physi... The retrospective numerical scheme(RNS)is a numerical computation scheme de- signed for multiple past value problems of the initial value in mathematics and considering the self- memory property of the system in physics.This paper briefly presents the historical background of RNS,elaborates the relation of the scheme with other difference schemes and other meteorological prediction methods,and introduces the application of RNS to the regional climatic self-memory model, simplified climate model,barotropic model,spectral model,and mesoscale model.At last,the paper sums up and points out the application perspective of the scheme and the direction for the future study. 展开更多
关键词 meteorological prediction numerical calculation difference scheme MEMORY
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CALCULATIONS OF RIEMANN PROBLEMS FOR 2-D SCALAR CONSERVATION LAWS BY SECOND ORDER ACCURATE MmB SCHEME
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作者 Yang Shu-li(Institute of Applied Mathematics, Academia Sinica, Beijing, China) 《Journal of Computational Mathematics》 SCIE CSCD 1994年第4期339-351,共13页
Numerical solutions of Riemann problems for 2-D scalar conservation law are given by a second order accurate MmB (locally Maximum-minimum Bounds preserving) scheme which is non-splitting. The numerical computations s... Numerical solutions of Riemann problems for 2-D scalar conservation law are given by a second order accurate MmB (locally Maximum-minimum Bounds preserving) scheme which is non-splitting. The numerical computations show that the scheme has high resolution and non-oscillatory properties. The results are completely in accordance with the theoretical solutions and all cases are distinguished efficiently 展开更多
关键词 MATH calculationS OF RIEMANN PROBLEMS FOR 2-D SCALAR CONSERVATION LAWS BY SECOND ORDER ACCURATE MmB scheme
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Review of Collocation Methods and Applications in Solving Science and Engineering Problems
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作者 Weiwu Jiang Xiaowei Gao 《Computer Modeling in Engineering & Sciences》 SCIE EI 2024年第7期41-76,共36页
The collocation method is a widely used numerical method for science and engineering problems governed by partial differential equations.This paper provides a comprehensive review of collocation methods and their appl... The collocation method is a widely used numerical method for science and engineering problems governed by partial differential equations.This paper provides a comprehensive review of collocation methods and their applications,focused on elasticity,heat conduction,electromagnetic field analysis,and fluid dynamics.The merits of the collocation method can be attributed to the need for element mesh,simple implementation,high computational efficiency,and ease in handling irregular domain problems since the collocation method is a type of node-based numerical method.Beginning with the fundamental principles of the collocation method,the discretization process in the continuous domain is elucidated,and how the collocation method approximation solutions for solving differential equations are explained.Delving into the historical development of the collocation methods,their earliest applications and key milestones are traced,thereby demonstrating their evolution within the realm of numerical computation.The mathematical foundations of collocation methods,encompassing the selection of interpolation functions,definition of weighting functions,and derivation of integration rules,are examined in detail,emphasizing their significance in comprehending the method’s effectiveness and stability.At last,the practical application of the collocation methods in engineering contexts is emphasized,including heat conduction simulations,electromagnetic coupled field analysis,and fluid dynamics simulations.These specific case studies can underscore collocation method’s broad applicability and effectiveness in addressing complex engineering challenges.In conclusion,this paper puts forward the future development trend of the collocation method through rigorous analysis and discussion,thereby facilitating further advancements in research and practical applications within these fields. 展开更多
关键词 Collocation method meshless method discrete schemes for functions numerical calculation
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建筑智能化系统顶层设计方法探讨 被引量:1
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作者 陈杰甫 陈众励 胡一峰 《建筑电气》 2024年第2期3-6,共4页
通过自上而下地展开,吸收质量功能配置的思想,对建设过程中影响智能化系统的因素进行统筹考量。通过逐层迭代的方式,直观展示不同技术方案对业主满意度的影响,为建筑设计提供可比较的方案效益评价,也为设计明确后续技术路径。
关键词 顶层设计 建筑智能化系统 质量功能配置 效益评价 迭代方案 需求矩阵 设计矩阵 计算流程
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基于车速平稳过渡的高速公路出口限速方案
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作者 徐婷 胡闪闪 +2 位作者 陈亦新 芮飞 马金凤 《科学技术与工程》 北大核心 2024年第1期386-396,共11页
研究能够满足出口车速平稳过渡的逐级限速方案,对出口区域车辆平稳运行及安全提升有重要意义。利用无人机采集高速公路出口车辆运行参数,分析出口车辆运行特征,考虑驾驶员对相邻限速标志的认知反应,构建了连续限速标志设置间距计算模型... 研究能够满足出口车速平稳过渡的逐级限速方案,对出口区域车辆平稳运行及安全提升有重要意义。利用无人机采集高速公路出口车辆运行参数,分析出口车辆运行特征,考虑驾驶员对相邻限速标志的认知反应,构建了连续限速标志设置间距计算模型,建立了高速公路出口不同级别的限速方案,利用驾驶模拟试验对设计的不同限速方案进行分析及评价。模型的计算结果显示,二级限速方案中,限速值为60-40 km/h的限速标志间距为160 m;三级限速方案中,限速值为80-60-40 km/h的限速标志间距分别为300 m和80 m,限速值为90-60-40 km/h的限速标志间距分别为300 m和85 m;四级限速方案中,限速值为100-80-60-40 km/h的限速标志间距分别为295、160、80 m。利用驾驶模拟器对模型结果进行验证,试验结果表明:随着限速级数增加,车辆离散幅度显著降低,表明逐级限速方案对出口车辆运行速度有明显管控效果;逐级限速方案的平均减速度指标小于1.3 m/s^(2),均在驾驶舒适性阈值内;四级限速方案可使在分流鼻端车速标准差、平均减速度、分流鼻运行速度V85分别控制在5.23 km/h、0.52 m/s^(2)、54 km/h左右,极大满足了车速平稳过渡要求。可见,借助模型定量优化的逐级限速方案可以显著提高出口车速过渡的平稳性和安全性。 展开更多
关键词 交通安全 高速公路出口 逐级限速方案 连续限速标志间距计算模型
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提高湖羊圈养空间利用率的建模方案优化设计
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作者 朱莉 《南通职业大学学报》 2024年第1期53-57,共5页
为提高湖羊圈养的空间利用率,采用分期分批连续方式安排交配,根据交配期、怀孕期、哺乳期、休整期、育肥期等5个阶段的期长、容量、流转倍率等参数值,建立各期羊栏需求数的计算模型。针对养殖场现有的羊栏规格,经试算搜索得到其羊只的... 为提高湖羊圈养的空间利用率,采用分期分批连续方式安排交配,根据交配期、怀孕期、哺乳期、休整期、育肥期等5个阶段的期长、容量、流转倍率等参数值,建立各期羊栏需求数的计算模型。针对养殖场现有的羊栏规格,经试算搜索得到其羊只的最佳流转速度,由此编制具体的生产方案,使得年化出栏羊只数量达到最大。继而针对5项不确定因素,构建参数重新选定的计算公式,并在合理范围内,调整哺乳期和空怀期时长,得到多种备选方案,再通过分层次计算比较各方案的期望损失,确定最优方案。 展开更多
关键词 湖羊圈养 空间利用率 方案优化 计算模型 流转倍率 期望损失
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High-order accurate dissipative weighted compact nonlinear schemes 被引量:11
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作者 邓小刚 《Science China Mathematics》 SCIE 2002年第3期356-370,共15页
Based on the method deriving dissipative compact linear schemes ( DCS), novel high-order dissipative weighted compact nonlinear schemes (DWCNS) are developed. By Fourier analysis, the dissipative and dispersive featur... Based on the method deriving dissipative compact linear schemes ( DCS), novel high-order dissipative weighted compact nonlinear schemes (DWCNS) are developed. By Fourier analysis, the dissipative and dispersive features of DWCNS are discussed. In view of the modified wave number, the DWCNS are equivalent to the fifth-order upwind biased explicit schemes in smooth regions and the interpolations at cell-edges dominate the accuracy of DWCNS. Boundary and near boundary schemes are developed and the asymptotic stabilities of DWCNS on both uniform and stretching grids are analyzed. The multi-dimensional implementations for Euler and Navier-Stokes equations are discussed. Several numerical inviscid and viscous results are given which show the good performances of the DWCNS for discontinuities capturing, high accuracy for boundary layer resolutions, good convergent rates (the root-mean-square of residuals approaching machine zero for solutions with strong shocks) and especially the damping effect on the spurious oscillations which were found in the solutions obtained by TVD and ENO schemes. 展开更多
关键词 numerical calculation COMPACT schemes NONLINEAR schemes EULER equations NAVIER-STOKES equa-tions.
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绣球花状ZnIn_(2)S_(4)/CoWO_(4)S型异质结的构建及可见光催化产氢性能
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作者 赵玉彤 王仕凯 +5 位作者 赵福萍 陈志合 赵丽杰 张大凤 葛博 蒲锡鹏 《高等学校化学学报》 SCIE EI CAS CSCD 北大核心 2024年第5期81-91,共11页
通过合理设计异质结结构来加速光催化产氢反应在高效光催化材料的开发中发挥着不可或缺的作用.ZnIn_(2)S_(4)(ZIS)由于其优异的光电性能和较负的导带位置,在光催化产氢领域受到了广泛关注,但其仍存在严重的光生载流子复合和团聚问题.为... 通过合理设计异质结结构来加速光催化产氢反应在高效光催化材料的开发中发挥着不可或缺的作用.ZnIn_(2)S_(4)(ZIS)由于其优异的光电性能和较负的导带位置,在光催化产氢领域受到了广泛关注,但其仍存在严重的光生载流子复合和团聚问题.为此,首先通过理论计算预测了ZnIn_(2)S_(4)/CoWO_(4)(ZIS/CWO)S型异质结的能带结构及电子转移路径,并通过电子局域函数和电荷密度差分确定了异质结界面处的电子交换.随后,采用超声-搅拌-煅烧法将CWO纳米颗粒分散并负载到ZIS花球表面,获得了绣球花状ZIS/CWOS型异质结光催化剂.由于ZIS与CWO之间紧密的界面以及形成的内部电场,致使ZIS/CWOS型异质结的光生电子-空穴对得到了有效分离,进而提高了光催化产氢效率.同时,实验结果确定了S型异质结的形成和载流子的传输路径,揭示了光催化反应机理. 展开更多
关键词 光催化产氢 S型异质结 ZnIn_(2)S_(4) CoWO_(4) 理论计算
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Calculation on Relation of Energy Bandgap to Composition and Temperature for Ga_xIn_(1-x)As_(1-y)Sb_y 被引量:1
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作者 田园 张宝林 +6 位作者 金亿鑫 周天明 李树玮 宁永强 元金山 蒋红 元光 《Rare Metals》 SCIE EI CAS CSCD 1996年第3期172-178,共7页
The calculated methods of the compositional dependence of the energy bandgap for Ga_xIn_(1-x)As_(1-y)Sb_y quaternary alloys are discussed in this paper. The dielectric theory of electronegativity and the linearinterpo... The calculated methods of the compositional dependence of the energy bandgap for Ga_xIn_(1-x)As_(1-y)Sb_y quaternary alloys are discussed in this paper. The dielectric theory of electronegativity and the linearinterpolation method were respectively used to calculate the compositional dependence of the energybandgap for Ca_xIn_(1-x)As_(1-y)Sb_y quaternary alloys. The same formula was deduced from the two schemes.According to the two formulas, we calculate the energy handgap as a function of alloy compositions forGa_xIn_(1-x)As_(1-y)Sb_y quaternary alloys: moreover, the temperature effect was lead into the formulas. Com-paring the calculated values with the measured ones, we found that the calculated method is in good agree-ment with the experimental data for Ga_xIn_(1-x)As_(1-y_Sb_y quaternary alloys. 展开更多
关键词 Ga_xIn_(1-x)As_(1-y)Sb_y Energy bandgap COMPOSITION Calculated schemes
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水下超大直径盾构联络通道建设方案对比研究——以广州海珠湾隧道工程为例
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作者 黄书华 郑镇跡 +4 位作者 盛健 谢典延 张良 陈湘生 苏栋 《隧道建设(中英文)》 CSCD 北大核心 2024年第S01期408-417,共10页
针对在越江海高水压水下超大直径盾构隧道联络通道施工过程中缺乏足够的工程技术标准和案例经验、设计与施工面临众多挑战问题,以广州海珠湾超大直径盾构隧道区间的6条联络通道工程为例,对工程地质补勘资料及现场施工情况进行分析,揭示... 针对在越江海高水压水下超大直径盾构隧道联络通道施工过程中缺乏足够的工程技术标准和案例经验、设计与施工面临众多挑战问题,以广州海珠湾超大直径盾构隧道区间的6条联络通道工程为例,对工程地质补勘资料及现场施工情况进行分析,揭示原矿山法设计施工方案存在的不足,并基于此提出“矿山法结合地层冻结加固方案”和“机械顶管法施工方案”2种优化方案;随后在安全性、经济性、施工工期等方面对不同工法进行综合优选分析,同时引入碳排放指标进行绿色低碳评估。研究结果表明:1)机械顶管法在安全性和施工效率上优于其他方案,能够显著缩短施工周期;2)相比矿山法结合地层冻结加固方案,机械顶管法方案碳排放量减少了2 747.51 t CO_(2e)。 展开更多
关键词 超大直径盾构 水下联络通道 地层冻结法 矿山法 机械顶管法 碳排放量计算 方案比选
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CFD技术在挂舵臂安装偏差中的应用
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作者 刘在良 邵汉东 +2 位作者 李晓彬 林艳 潘品锋 《武汉理工大学学报(交通科学与工程版)》 2024年第1期105-109,共5页
文中以一艘64 000 DWT散货船为例,采用CFD数值仿真及实船测试的方法,对其挂舵臂安装偏差所造成的船舶阻力及航速进行了评估分析.结果表明:挂舵臂安装在一定偏差范围内对船舶阻力及航速影响不大.
关键词 挂舵臂 安装偏差 CFD阻力计算 评估 验证 修复方案
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一种应用于卫星中红外遥感的辐射传输简化计算方案
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作者 姚前 许华 +11 位作者 樊程 李莉 王思恒 郑杨 徐文斌 侯伟真 徐敬海 庄齐枫 周鹏 张灏 陈震霆 李正强 《红外与毫米波学报》 SCIE EI CAS CSCD 北大核心 2024年第3期375-390,共16页
作为可见光-近红外和热红外的连接谱段,中红外(MIR)兼具短波辐射的反射特性和长波辐射的发射特性,对于温度探测、目标识别等应用场景有十分重要的意义。目前,MIR谱段辐射传输(RT)计算仍然面临背景参数输入多且不易获取的问题。基于此,... 作为可见光-近红外和热红外的连接谱段,中红外(MIR)兼具短波辐射的反射特性和长波辐射的发射特性,对于温度探测、目标识别等应用场景有十分重要的意义。目前,MIR谱段辐射传输(RT)计算仍然面临背景参数输入多且不易获取的问题。基于此,提出了一种应用于卫星MIR遥感的RT简化计算方案。使用MODTRAN模型(MM),对MIR白天RT过程中所涉及的背景地表和大气参数定量模拟分析,得到影响RT的关键参数,据此形成一套基于MM的参数简化方案(SS)。在MODIS 6个MIR通道的中心波长处,对SS和MM计算的总辐亮度做对比验证,RMSE均小于0.004399,具有较高精度。SS仅依赖于表面温度、表面发射率、大气廓线类型、水汽和云光学厚度,不需要输入气溶胶、CO_(2)和O_(3)数据。相比MM,SS将输入参数从8类降低到5类,计算的时间效率提升了9.02%。在有限的计算资源下,本文所提的SS能够为MIR图像快速处理、大场景遥感仿真等应用领域提供支撑。 展开更多
关键词 中红外(MIR)谱段 辐射传输(RT)计算 背景参数 简化方案(SS)
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高比例水电系统抽水蓄能电站发展空间及趋势研究 被引量:3
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作者 胡浩 张苏 +2 位作者 赵剑喆 彭友 钟帆 《水电与抽水蓄能》 2024年第1期115-120,共6页
“3060”双碳发展目标下,新能源大规模并网对电力系统的灵活调节能力提出较高要求。抽水蓄能是目前技术最成熟、经济性较优的电力系统灵活调节资源。本文立足于四川高比例水电系统,概述了四川省能源资源概况和电网存在的问题,结合四川... “3060”双碳发展目标下,新能源大规模并网对电力系统的灵活调节能力提出较高要求。抽水蓄能是目前技术最成熟、经济性较优的电力系统灵活调节资源。本文立足于四川高比例水电系统,概述了四川省能源资源概况和电网存在的问题,结合四川中长期电源电网规划,分析了四川高比例水电系统下抽水蓄能电站建设的必要性;其次,根据省内中长期供需形势,测算分析了四川中长期抽水蓄能电站的发展空间,并基于典型场景分析探讨高比例水电系统下抽水蓄能电站的作用发挥及功能定位;最后结合抽水蓄能电站的规划布点,对中长期抽水蓄能电站的发展趋势进行探讨。 展开更多
关键词 高比例水电系统 抽水蓄能电站 中长期规模 运行模拟
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由质子化D-A型聚合物和MoS_(2)构建S型异质结实现高效光催化析氢
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作者 潘劲康 张艾彩珺 +1 位作者 张莉华 董鹏玉 《Chinese Journal of Catalysis》 SCIE CAS CSCD 2024年第3期180-193,共14页
化石能源的过度消耗及其所引发的环境污染已经成为制约人类社会可持续发展的关键因素,因此开发绿色、可再生的能源已成为全球的迫切需求.氢能作为一种新型能源,具有能量密度高、清洁以及可持续等优点,备受研究者的关注.光催化分解水制... 化石能源的过度消耗及其所引发的环境污染已经成为制约人类社会可持续发展的关键因素,因此开发绿色、可再生的能源已成为全球的迫切需求.氢能作为一种新型能源,具有能量密度高、清洁以及可持续等优点,备受研究者的关注.光催化分解水制氢技术能够将太阳能转化为可储存的清洁能源,被视为未来解决能源和环境问题的可行性方案.在过去几十年里,众多科学家致力于研发各种高效的析氢光催化剂,以推进光催化分解水制氢技术的实际应用.其中,S型异质结光催化剂因其快速的光生电荷转移效率和出色的氧化还原能力,被认为是提高光催化析氢性能的有效途径之一.本文以质子化、具有供体-受体(D-A)构型的PyDTDO-3共轭聚合物和二维层状MoS_(2)为原料,构建了一种S型异质结(PPMS),并将其用于光催化分解水制氢.红外光谱结果表明,质子化处理导致PyDTDO-3表面吸附了大量H^(+),使其Zeta电势降低,表面负电荷减少,更有利于MoS_(2)的吸附,进而形成具有紧密接触界面的PPMS S型异质结.在可见光照射下,PPMS-0.5%(即MoS_(2)占PyDTDO-3的质量百分数为0.5%)S型异质结的性能最佳,其光催化析氢效率达到75.4 mmol g^(–1)h^(–1),是纯PyDTDO-3的4.6倍.此外,在550 nm光激发下,PPMS-0.5%异质结的光催化析氢表观量子效率最高达到19.6%.光电流响应和电化学阻抗谱结果表明,PPMS异质结展现出了显著提升的光生电荷分离效率.通过密度泛函理论计算发现,PyDTDO-3和MoS_(2)具有不同的功函数,这导致费米能级间隙的产生,从而形成了内建电场.该内建电场有助于MoS_(2)上的电子自发转移到PyDTDO-3上,从而在PyDTDO-3与MoS_(2)的界面上产生了明显的差分电荷密度分布:PyDTDO-3表面带有负电荷,MoS_(2)表面则带有正电荷.在可见光激发下,得益于PyDTDO-3独特的D-A型结构,光生电子可以快速从供体(芘供体)的最高占据分子轨道传递到受体(DTDO受体)的最低未占据分子轨道(LUMO);随后,这些被激发的光生电子进入MoS_(2)的表面.利用飞秒瞬态吸收光谱研究动力学行为,结果表明,来自PyDTDO-3的LUMO电子转移加速了MoS_(2)价带的空穴消耗,这进一步证实了S型光生电荷分离机制.此外,与单组分PyDTDO-3和MoS_(2)相比,PPMS S型异质结具有较低的吉布斯自由能(ΔGH*,0.77 eV),表明它更有利于过渡态(H*)的形成以及分子氢在PPMS上的有效解吸.总之,PPMS S型异质结表现出促进的电荷定向迁移和增加的活性位点,共同增强了其光催化析氢性能.综上,本文首先对D-A构型的PyDTDO-3进行质子化处理,再与MoS_(2)复合,制备了具有紧密接触界面的S型PPMS异质结.该异质结结构显著促进了PyDTDO-3和MoS_(2)之间的电荷定向迁移;此外,通过引入MoS_(2)中丰富的S原子,增加了光催化析氢活性位点,从而大大提高了光催化析氢效率.本文为设计和开发新型高效的光催化析氢材料提供了新的思路和参考. 展开更多
关键词 S型异质结 质子化D-A型聚合物 MoS_(2) 光催化析氢 密度泛函理论计算
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基于TOPSIS和CRITIC的齿轮坯闭式热模锻工艺方案评估
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作者 李永亮 梁强 贾艳艳 《重庆工商大学学报(自然科学版)》 2024年第3期1-8,共8页
目的基于热力耦合机理,应用模型数值仿真和多参数化的评价机制,实施方案寻优,从而提升齿轮坯闭式热锻工艺的设计效率和成形质量。方法基于DEFORM仿真软件对某工程齿轮坯锻件的3种闭式热模锻成形工艺方案进行CAE仿真分析,研究其金属塑性... 目的基于热力耦合机理,应用模型数值仿真和多参数化的评价机制,实施方案寻优,从而提升齿轮坯闭式热锻工艺的设计效率和成形质量。方法基于DEFORM仿真软件对某工程齿轮坯锻件的3种闭式热模锻成形工艺方案进行CAE仿真分析,研究其金属塑性流动规律,并采用TOPSIS(Technique for Order Preferences by Similarity to Ideal Solution)和CRITIC(Criteria Importance Though Intercrieria Correlation)相结合的方法,构建以应变、应力、载荷、充填性、磨损等8个评价指标的评估模型及权值计算方法,进行工艺方案评估。结果通过仿真可以发现不同的预锻方案,金属塑性流动方式不同,成形结果不同,其中方案1未填满,成形有毛刺,受载不均匀,模具损伤值较大;方案2受载均匀,填充饱满,模具磨损深度大,等效应力大;方案3成形质量较好,但受载不均匀,且同样模具磨损深度大,等效应力大;综合考虑锻件成形质量和模具使用寿命,通过指标同向标准化处理、权重计算,得到方案1、2、3贴近程度分别为0.446、0.511、0.556,方案3值最大,结果最优。对方案3进行工艺试验,获得的齿轮坯充填饱满、无折叠缺陷。结论通过数值模拟与评估模型相结合的方法,可以精确、高效地评估闭式热锻造工艺方案的优劣,提高设计效率与成形质量。 展开更多
关键词 闭式热锻 预锻方案 热力耦合CAE分析 多参同向标准化 权重计算与评价
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