大型地下洞室群地震响应分析的动力子模型法

水电站地下洞室群埋深大,在动力分析时若将模型建至地表将使网格规模庞大,不利于分析效率的提高。提出适合于大型地下洞室群地震响应分析的动力子模型法。该方法将大范围、粗网格的地下地震波动场计算与小范围、细网格结构动力计算分开,分别建立粗网格和细网格模型进行分析。首先,根据深部基岩的地震波传播特性,采用幅值线性折减的方法对地表加速度时程向基岩深处推算,得到在模型底边界的加速度时程,再输入模型可算得大范围的地震波动场。其次,把结构计算模型边界节点放入波动场计算模型中插值,可获得计算模型边界条件,最后,完成地震荷载的输入。算例表明,推算所得模型底部加速度时程考虑工程具体条件,比规范规定的单一折减系数更能反映实际工程的地下地震动特性。同时,在地下洞室的地震响应分析中,地震波过早被地表反射或不考虑地震波的反射,都会对计算结果造成误差,动力子模型方法能够在保证计算结果精确性的同时,使细网格的计算模型不建至地表自由面,可显著缩减网格规模,提升动力计算效率。

基于动力子模型法的混凝土重力坝动力损伤分析

针对混凝土重力坝抗震分析中因工程结构、荷载复杂性所造成的建模、计算及后处理难的问题,将常规子模型法拓展应用于重力坝动力分析中,并结合混凝土塑性损伤模型进行多级子模型计算。应用算例验证了该方法的可靠性和精确性,以观音岩水电站工程为例,采用人工边界的初始全局模型后,将其坝基结果施加于坝体子模型上,根据坝体的损伤区域对顶部廊道部分进行二级子模型计算,得到了满足工程应用的分析结果。

地震作用下混凝土坝孔口应力分析的动力子模型法

地震作用下混凝土坝泄水建筑物的安全至关重要,但混凝土坝孔口处应力梯度变化较大,常规分析方法一般难以满足精度要求。静力分析中通常采用子模型方法将其从整体大坝中分离出来进行二次分析。本文将其推广到动力分析中,并用数值算例证明动力子模型方法的正确性和有效性。该方法为混凝土坝孔口抗震设计提供一种便捷有效的分析手段。

基于声子水动力学方程分析全环绕栅极晶体管的瞬态热输运过程

相较于经典的傅里叶定律,声子水动力学模型在描述纳米尺度超快声子热输运中已经展现出显著优势.全环绕栅极晶体管(GAAFET)通过三维沟道设计极大优化了电学性能,但其纳米尺度特征也导致自热问题和局部过热的挑战.基于此,本文针对纳米尺度GAAFET器件内的声子热传输特性开展理论和数值模拟分析.首先,基于声子玻尔兹曼方程严格推导了声子水动力学模型和边界条件,建立了基于有限元的数值求解手段,针对新型的GAAFET器件,分析了表面粗糙度、沟道长度、沟道半径、栅极电介质、界面热阻等因素对其热传输特性的影响规律.研究结果表明,本文构建的连续介质框架下基于声子水动力学模型及温度跳跃条件的非傅里叶热分析方法能够精确预测GAAFET内部非傅里叶声子导热过程,并揭示声子阻尼散射和声子/界面散射的作用机制.这项工作为进一步优化GAAFET的热可靠性设计,提高其热稳定性和工作性能提供了重要的理论支持.

显式动力学子模型法在航空发动机整机瞬态冲击并行计算中的应用

【背景】商用航空发动机需要满足适航安全性要求,其中风扇叶片脱落载荷是在设计中必须考虑的安全设计载荷。发动机整机瞬态显式动力学分析是个有效的分析工具,但在模型规模、计算效率和计算精度方面存在矛盾。整机模型通过选用合适的并行计算策略,一般能提供较为准确的部件界面载荷,但对于单个部件的应力分析,往往由于网格密度不够而不能获得满意结果。【方法】整机瞬态显式动力学仿真子模型技术,采用航空发动机整机简化模型进行整机计算,通过预先设置的子模型边界输出零部件载荷,作为零部件精细模型动强度分析的输入,在保证计算精度的同时,使计算效率大幅度提高。【结果】本文通过一个机匣等效平板靶板冲击试验算例,将平板特定区域定义为子模型,计算结果表明,子模型法能够与局部细化的整体模型得到相同的计算结果。同时,以航空发动机风扇轴为例,将子模型技术应用于叶片飞脱载荷下零部件动力学分析,建立航空发动机整机瞬态显式动力学仿真子模型分析方法,既可以解决叶片脱落等效载荷方法整机层面对粗网格部件应力分析计算误差大的问题,又能够考虑零部件细观结构对强度计算结果的影响。

单粒子四极算符P^2（i）约化矩阵元的计算

用群论方法讨论费米子动力学对称模型（ＦＤＳＭ）中ｋ－集体激发模式情形单粒子四极算符Ｐ~２（ｉ）约化矩阵元的计算．为ｈｅｒｉｔａｇｅ混合的计算作准备。

Simulation study on non-linear effects of initial melt temperatures on microstructures during solidification process of liquid Mg_7Zn_3 alloy

The non-linear effects of different initial melt temperatures on the microstructure evolution during the solidification process of liquid Mg7Zn3 alloys were investigated by molecular dynamics simulation, The microstructure transformation mechanisms were analyzed by several methods. The system was found to be solidified into amorphous structures from different initial melt temperatures at the same cooling rate of 1×10^12 K/s, and the 1551 bond-type and the icosahedron basic cluster （12 0 12 0 ） played a key role in the microstructure transition. Different initial melt temperatures had significant effects on the final microstructures. These effects only can be clearly observed below the glass transition temperature Tg; and these effects are non-linearly related to the initial melt temperatures, and fluctuated in a certain range. However, the changes of the average atomic energy of the systems are still linearly related with the initial melt temperatures, namely, the higher the initial melt temperature is, the more stable the amorphous structure is and the stronger the glass forming ability will be.

Analysis to the Driving Force Model and Driving Factor on the Utilized Changes of Cultivated Land in Gonghe County

Using gradually regression analysis to establish the driving force model of utilized change of cultivated land in Gonghe County, and using path analysis, correlation analysis, partial correlation analysis and system dynamics method to inspect the effect of driving changing on cultivated land change under different change situations. Driving factors, action mechanism and process of utilized change of cultivated land were analyzed from the county territory scale level. At last, some corresponding policies and measures were put forward.

Analysis to the Driving Force Model and Drives Factor on the Utilized Changes of Cultivated Land in Qinghai Lake Area

Using path analysis, correlation analysis, partial correlation analysis and system dynamics method to study the driving force of cultivated land in Qinghai Lake Area, and using gradually regression analysis to establish the driving force model of utilized change of cultivated land. Driving factors, action mechanism and process of utilized change of cultivated land were analyzed, and the differences during all factors were compared. The study provides some decision basis for sustainable utilization and management of land resources in Qinghai Lake Area.

Kinetics of cerium(Ⅳ) and fluoride extraction from sulfuric solutions using bifunctional ionic liquid extractant(Bif-ILE)[A336][P204]

The extraction kinetics of Ce（Ⅳ） and Ce（Ⅳ）-F^- mixture systems from sulfuric solutions to n-heptane solution containing Bif-ILE[A336][P204]（[trialkylmethylammonium][di-2-ethylhewanxylphosphinate]） with a constant interfacial area cell with laminar flow were studied,just to elucidate the extraction mechanism and the mass transfer models.The data were analyzed in terms of pseudo-first-order constants.The effects of stirring speed,specific interfacial area and temperature on the extraction rate in both systems were discussed,suggesting that the extractions were mixed bulk phases-interfacial control process.Supported by the experimental data,the corresponding rate equations for Ce（Ⅳ） extraction system and Ce（Ⅳ）-F^- mixture extraction system were obtained.The experimental results indicated the rate-controlling step.The kinetics model was deduced from the rate-controlling step and consistent with the rate equation.

Local structure of calcium silicate melts from classical molecular dynamics simulation and a newly constructed thermodynamic model

The distributions of local structural units of calcium silicate melts were quantified by means of classical molecular dynamics simulation and a newly constructed structural thermodynamic model. The distribution of five kinds of Si-O tetrahedra Qi from these two methods was compared with each other and also with the experimental Raman spectra, an excellent agreement was achieved. These not only displayed the panorama distribution of microstructural units in the whole composition range, but also proved that the thermodynamic model is suitable for the utilization as the subsequent application model of spectral experiments for the thermodynamic calculation. Meanwhile, the five refined regions mastered by different disproportionating reactions were obtained. Finally, the distributions of two kinds of connections between Qi were obtained, denoted as Qi-Ca-Qj and Qi-[Ob]-Qj, from the thermodynamic model, and a theoretical verification was given that the dominant connections for any composition are equivalent connections.

Heritage混合的计算

讨论费米子动力学对称模型（ＦＤＳＭ）中κ－激发模式中ｈｅｒｉｔａｇｅ混合的计算，给出混合ｈｅｒｉｔａｇｅ的哈密顿，讨论模型空间基矢的选取及标记，并给出哈密顿算符以及Ｅ２跃迁算符矩阵元的具体表达式。

A comprehensive comparative investigation of frictional force models for dynamics of rotor−bearing systems

Vibrations of a rotor-bearing system(RBS)can be affected by the frictional forces between the components of the inherent bearings.Thus,an in-depth investigation of the influences of the frictional moments of the bearings on the vibrations of the RBS can be helpful for understanding the vibration mechanisms in the rotating machinery.In this study,an improved dynamic model of a RBS considering different frictional force models is presented.A comparative investigation on the influences of the empirical and analytical frictional force models on the vibration characteristics of the RBS is proposed.The empirical frictional force models include Palmgren’s and SKF’s models.The analytical frictional force model considers the rolling friction caused by the radial elastic material hysteresis,slipping friction between the ball and races,viscosity friction caused by the lubricating oil,and contact friction between the ball and cage.The influences of the external load and rotational speed on the vibrations of the RBS are analyzed.The comparative results show that the analytical frictional force model can give a more reasonable method for formulating the effects of the friction forces in the bearings on the vibrations of the RBS.The results also demonstrate that the friction forces in the bearings can significantly affect the vibrations of the RBSs.

Homology modeling and docking studies of IscS from extremophile Acidithiobacillus ferrooxidans

The gene iscS-3 from ,4cidithiobacillus ferrooxidans may play a central role in the delivery of sulfur to a variety of metabolic pathways in this organism. For insight into the sulfur metabolic mechanism of the bacteria, an integral three-dimensional （3D） molecular structure of the protein encoded by this gene was built by homology modeling techniques, refined by molecular dynamics simulations, assessed by PROFILE-3D and PROSTAT programs and further used to search bind sites, carry out flexible docking with cofactor pyridoxal 5＇-phosphate（PLP） and substrate cysteine and hereby detect its key residues. Through these procedures, the detail conformations of PLP-IscS（P-I） and cysteine-PLP-IscS（C-P-I） complexes were obtained. In P-I complex, the residues of Lys208, His106, Thr78, Ser205, His207, Asp182 and Gln185 have large interaction energies and/or hydrogen bonds fixation with PLP. In C-P-I complex, the amino group in cysteine is very near His106, Lys208 and PLP, the interaction energies for cysteine with them are very high. The above results are well consistent with those experimental facts of the homologues from other sources. Interestingly, the four residues of Glul05, Glu79, Ser203 and Hisl80 in P-I docking and the residue of Lys213 in C-P-I docking also have great interaction energies, which are fitly conservation in IscSs from all kinds of sources but have not been identified before. From these results, this gene can be confirmed at 3D level to encode the iron-sulfur cluster assembly protein IscS and subsequently play a sulfur traffic role. Furthermore, the substrate cysteine can be presumed to be effectively recruited into the active site. Finally, the above detected key residues can be conjectured to be directly responsible for the bind and/or catalysis of PLP and cysteine.

Equilibrium and kinetics of copper ions removal from wastewater by ion exchange

The removal of copper ions from wastewater by ion exchange has been studied using an iminodiacetate resin.The capacity of the resin for the copper ions has been determined to be 2.30 mmol·g^(-1) by measuring the equilibrium isotherm at 25 °C and initial pH value of 3.5 where the final equilibrium p H value is 5. An analysis of equilibrium isotherm models showed that the best fit model was the Langmuir–Freundlich. The kinetics of the ion exchange process have been investigated and four kinetic models have been tested namely: Ritchie model, pseudo-second order model, pseudo-first order model and the Elovich model. The pseudo-second order model provides the best fit to the kinetic data.

High Energy ^-pp and pp Elastic Scatterings in QCD Inspired Model

We propose QCD inspired model to calculate ^-pp and pp elastic scatterings at high energies in this paper. A calculation for total cross section of ^-pp and pp is performed in which the contributions from gluon-gluon, quark-quark, and gluon-quark interactions are included. Our results show that the QCD inspired model gives a perfect fit to experimental data of total cross section both for ^-pp and pp elastic scatterings at the whole energy region where experimental data existed at FNAL and CERN.

Interplay Between Quark-Antiquark and Diquark Condensates in Vacuum in a Two-Flavor Nambu-Jona-Lasinio Model

By means of a relativistic effective potential, we analytically research competition between the quark- antiquark condensates （qq） and the diquark condensates （qq） in vacuum in ground state of a two-flavor Nambu Jona Lasinio （NJL） model and obtain the Gs-Hs phase diagram, where Gs and Hs are the respective four-fermion coupling constants in scalar quark-antiquark channel and scalar color anti-triplet diquark channel. The results show that, in the chiral limit, there is only the pure （qq） phase when Gs/Hs 〉 2/3, and as Gs/Hs decreases to 2/3 〉 Gs/Hs ≥ 0 one will first have a coexistence phase of the condensates （qq） and （qq） and then a pure （qq） phase. In non-zero bare quark mass case, the critical value of Gs/Hs at which the pure （qq） phase will transfer to the coexistence phase of the condensates （qq） and （qq） will be less than 2/3. Our theoretical results, combined with present phenomenological fact that there is no diquark condensates in the vacuum of QCD, will also impose a real restriction to any given two-flavor NJL model which is intended to simulate QCD, i.e. in such model the resulting sma/lest ratio Gs/Hs after the Fierz transformations in the Hartree approximation must be larger than 2/3. A few phenomenological QCD-like NJL models are checked and analyzed.

Calculation of Environmental Capacity of Petroleum Hydrocarbon in Jiaozhou Bay

The method has been established to calculate the environmental capacity (ECO), surplus environment capacity (SECO) of water with respect to marine petroleum hydrocarbons associated with oil (PHAOs) and the self-purification capacity (SPCO) of main self-purification process to PHAOs in the Jiaozhou Bay, China, according to the dynamic model for distribution of marine PHAOs among multiphase environments. The variation of concentration of PHAOs in the Jiaozhou Bay is well simulated by the dynamic model. Based on the model, the ECo, SECo of water with respect to PHAOs in the Jiaozhou Bay were calculated during the last 10 years under the first-class and second-class quality standard requirement, according to SPCO of main self-purification process to PHAOs. The results show that about 200 tons of PHAOs could be discharged into the Jiaozhou Bay for maintaining the first class seawater quality standard, and about 600 tons of PHAOs for the second class seawater quality standard later.

Role of N/Z in Pre-scission Neutrons as an Observable of Nuclear Friction

A dynamical Langevin model is employed to evaluate the excess of the neutron emission in the fission ofheavy nuclei ^(240)Cf,^(246)Cf,^(254)Cf,^(240)U relative to the standard statistical-model prediction at various saddle-to-scissionfriction strengths.It is shown that when the neutron-to-proton ratio N/Z of the system increases,the sensitivityof the excess to the friction decreases substantially,and it almost disappears for ^(240)U.We suggest that using thosecompound systems with low N/Z favors an accurate determination for the saddle-to-scission friction strength based onthe measurement of the pre-scission neutron multiplicity.

Dynamic Thermal Model and Temperature Control of Proton Exchange Membrane Fuel Cell Stack

A dynamic thermal transfer model of a proton exchange membrane fuel cell (PEMFC) stack is developed based on energy conservation in order to reach better temperature control of PEMFC stack. Considering its uncertain parameters and disturbance, we propose a robust adaptive controller based on backstepping algorithm of Lyaponov function. Numerical simulations indicate the validity of the proposed controller.