研究出

In this thesis,based on the DFT+NEGF first-principles method,we construct a lead-molecule-lead sandwich system with single benzene-based molecule to investigate the relationship between the structure and properties of the molecular devices and the factors that influence properties of the molecular devices.Our computational investigations on these molecular devices are primarily concentrated on the effect of contact geometry between molecules and electrodes,the effect of side groups,the effect of different torsion angle between two phenyl rings and the effect of external electric field.This thesis consists of five chapters:In Chapter one,we mainly introduce the research background and development of the molecular electronics,including the experimental fabrication of molecular electronic components and theoretical simulation methods.Afterwards we discuss the questions that need to be solved in this area.Finally,the main contents of this thesis are listed.In Chapter two,we introduce the theoretical methods used in this thesis, including the main first-principles calculation methods,i.e.,the Density-Functionmethod and nonequilibrium Green\'s function.

本论文拟采用密度泛函理论和非平衡格林函数相结合的第一性原理计算方法，选取苯基小分子作为研究对象，构建了金属电极/有机小分子/金属电极三明治结构体系，系统地研究了苯基分子器件结构的改变与分子电输运性质之间的关系以及影响分子器件电输运性质的相关因素，其中重点研究了分子与电极间可能的接触结构改变、官能团、分子间的扭转角以及外电场对苯基分子电输运性质的影响，本论文主要包括以下五个章节的内容：第一章为综述部分，主要介绍了分子电子学产生的背景、分子器件的研究意义、当前研究分子器件的实验和主要理论方法，以及目前在研究分子器件中存在的一些问题，最后给出了本论文的主要研究内容和技术路线。

Based on the outcome of Xu Yang and Qin Keyun about lattice implication algebra and lattice-valued prepositional logic LP with truth-value in a lattice implication algebra, the author studied the properties of lattice implication algebra and the α-automated reasoning method based on α-resolution principle of LP. The specific contents are as follows: The Study of Lattice Implication Algebra On the basis of previous results of lattice implication algebra, this part consists of the following three points: 1. Some properties of lattice implication algebra L were discussed, and some important results were given if L was a complete lattice implication algebra. 2. The properties of left idempotent elements of lattice implication algebras were discussed, and the conclusion that lattice implication algebra L was equals of the directed sum of the range and dual kernel of a left map constructed by a left idempotent element was proved. 3. The properties of the filters of lattice implication algebra were discussed, the theorem was shown that they satisfy the hypothetical syllogism and substitute theorem of the propositional logic. 4. The concept of weak niters of lattice implication algebras and their properties and structures are discussed. It is proved that all weak filters of a lattice implication algebra form a topology and the the implication isomorphism betweem two lattice implication algebras is a topological mapping between their topological spaces. The Study of α-automated reasoning method based on the lattice-valued propositional logic LP In this part, the author given an a-automated reasoning method based on the lattice-valued propositional logic LP.

本文基于徐扬和秦克云的关于格蕴涵代数和以格蕴涵代数为真值域的格值命题逻辑系统LP的研究工作，对格蕴涵代数以及格值命题逻辑系统LP中基于α-归结原理的自动推理方法进行了系统深入的研究，主要有以下两方面的研究成果：一、关于格蕴涵代数的研究 1、对格蕴涵代数的格论性质进行了研究，得到了当L为完备格蕴涵代数时，关于∨，∧，→运算的一些结果； 2、对格蕴涵代数的左幂等元进行了研究，证明了格蕴涵代数L可以分解为任何一个左幂等元所对应的左映射的像集合与其对偶核的直和； 3、对格蕴涵代数的滤子的性质进行了研究，证明了滤子的结构相似于逻辑学中的Hypothetical syllogism规则和替换定理； 4、给出了格蕴涵代数中弱滤子的概念，对弱滤子的性质个结构进行了研究，证明了格蕴涵代数的全体弱滤子构成一个拓扑结构，格蕴涵代数之间的蕴涵同构是相应的拓扑空间之间的拓扑映射。

Base on above studies, some conclusions were obtained as follows:(1) ore-forming background of the studied ferromanganese crusts are mainly controlled by intensity of Antarctic Bottom Waters and variations of material source;(2) it is confirmed that the ferromanganese crusts are mainly hydrogenetic and their composition are affected by volcanic and continental material simultaneously; there are no obvious phosphatization reconstruction and element reaction occurred in them, so they have important paleoceanological significance;(3) from researches on element occurrence modes in the new-type ferromanganese crusts and the lying sediments, it is proposed that there is no great biological affection on the crusts formation and their composition mainly came from the adsorptive action of the ferromanganese oxides in them;(4) two major types of ore-controlling factors are identified through compilation of ore-controlling factors, which are geological and oceanic factors;(5) considering the long-term variation trends of the crusts composition, combing the U-series and 10Be isotope dating results, it is proposed that the ore-forming processes of ferromanganese crusts in the studied areas can be divided into three major stages (5.6~2.8 Ma, 2.8~2.7 Ma and since 2.7 Ma), and then the activities of AABW since the Late Miocene, changes of input flux coming from volcanic and continental material are confirmed.

通过研究，得出如下结论：(1)研究区铁锰结壳的成矿背景主要受控于南极底流强弱及物源供给的变化；(2)证实铁锰结壳主要为水成成因，同时其物质组成也受一定程度的火山和陆源物质的影响；结壳自形成以来没有遭受到明显的磷酸盐化等成岩后期改造和元素再迁移，具有重要的古海洋学意义；(3)通过新型铁锰结壳及下伏沉积物元素赋存状态的研究，认为生物作用对研究区结壳的形成并没有很大的直接影响，其物质成分主要来自于结壳中铁锰氧化物的吸附作用；(4)在控矿要素的研究中，归纳出了地质与海洋两大类结壳控矿要素；(5)根据结壳成分长周期变化趋势，结合铀系和10Be测年结果，将研究区结壳的形成过程划分为三个主要阶段(5.6~2.8 Ma，2.8~2.7 Ma和2.7 Ma以来)，并确定了晚中新世以来研究区南极底流的活动情况、火山和大陆来源物质输入量的变化。

Theequivalence percolation resistance law is accurate enough to be used in productivitycalculation of horizontal well pattern.(3) Productivity of mixed well pattern of horizontalwell or multilateral horizontal well and vertical well is constructed and formulae are simpleenough to be used in the oilfield. The patterns include 5-spot pattern,7-spot pattern and9-spot pattern.(4) Productivity formula of united rectangular well pattern of horizontaland vertical wells is constructed. By this formula, the calculation results show that fora horizontal well length, there is a shape factor at which the productivity of the patternis biggest. So optimum method of the well pattern is proposed.(5) A new concept ofdimensionless length of horizontal well is advanced and the relationship of optimum shapefactor of the rectangular well pattern against dimensionless length of horizontal well ispresented. The influences of length of the horizontal well, area of the well pattern unitand the thickness of reservior are concerned.

利用该公式计算表明：当水平井长度一定时，存在一个最优井网形状，使得水平井的产能最大，在此基础上提出了水平井井网的优化方法；(5)提出了水平井无因次长度的概念，给出了联合井网最优井网形状因子与水平井无因次长度的关系式，并对水平井长度、油层厚度及井网面积对产能的影响进行了分析；(6)推导出了一无限水平井井排在XY 平面内势的解析解，为不同水平井整体开发井网或水平井和直井井网整体开发渗流理论的研究奠定了理论基础；(7)建立了交错式水平井与直井整体开发渗流理论，给出了拟三维条件下井网产能的精确解析解及该井网最优井网形状因子与水平井无因次长度的关系，并对产能的影响因素进行了分析；(8)建立了水平井与水平井正排列井网、交错排列井网条件下渗流理论及井网产能在拟三维条件下的精确解析解，给出了交错井网条件下最优井网形状因子与水平井无因次长度的关系，通过与正方形井网对比，说明优化井网可大幅度提高开采效果；(9)建立了分支水平井和直井面积井网水油两相非活塞驱替条件下渗流问题的解析解，给出了见水前后无因次产量与无因次时间的关系式以及见水时间等。

Angular spectral is spectral value map formed by estimating semblable coefficients of fast and slow shear wave or the variation of amplitude ratio of fast and slow shear wave with times and angles at a specified space point based on semblable theory of fast and slow shear wave, the angle value of this space point at a given time can be got by picking the maximum of angular spectral; the study reveals that fast and slow shear wave with different polarization direction should be separated using different rotation formula, eight formulas of separating fast and slow shear wave using clockwise rotation and counterclockwise rotation have been derived, and gained energy assignment rule and phase coincidence rule, in real data estimation, the rotation formula used for separating fast and slow shear wave can be uniquely determined on the two discriminating rules. On the basis of semblable theory of fast and slow shear wave, the delay time corresponding to the maximum of semblable coefficients at a specified point in a given time window is the delay time of fast and slow shear wave, delay time section of fast and slow shear wave can be got by moving space point and smoothing time window. The vertical variation values of delay time of fast and slow shear wave reflect the effect degree of vertical fractured reservoir on fast and slow shear wave which is defined as anisotropic coefficient, and section map of anisotropic coefficient can be obtained.

角度谱就是利用快慢横波的相似性原理，在某一空间点求出快慢横波的相似系数或快慢横波的振幅比值随着时间和角度的变化而形成的谱值图，拾取其极大值就得到该空间点某一时间的角度值；在研究中发现分离不同偏振方向的快慢横波应该采用不同的旋转公式，推导出了利用顺时针旋转和逆时针旋转分离快慢横波的八个公式，并给出了能量分配准则和相位一致性准则两个判别准则，在实际计算中利用这两个判别准则能唯一地确定分离快慢横波的旋转公式；根据快慢横波的相似性原理，在某一给定点和给定时窗内最大相似系数对应的延迟时间就是快慢横波的延迟时间，随着空间点的移动和时窗的滑动就可以得到快慢横波延迟时间的剖面图；快慢横波延迟时间与慢横波传播时间的比值定义为裂缝密度，并求出了裂缝密度剖面图；快慢横波延迟时间纵向上的变化值的大小反映了纵向上裂隙层对快慢横波影响的大小，定义为各向异性系数，并求出了各向异性系数的剖面图。

This paper therefore examines the development of "the folklore Pai-Chang of Peking opera aria in Tainan city" through literature review depth-interview oral history and participant observation The concept frame is culture organism as the vertical axle and elements of a folklore activity as the transverse axle There are several significant findings about the general picture of this subject: During the late period of Japanese colonial era Tainan local people who played Peguan music learned Peking opera aria and tried to bring Peking opera aria into the folklore Pai-Chang which was one kind performance and traditional custom of Peguan music Some people who came from other places and played Peking opera aria had also known or learned "Pai-Chang" with touching Tainan local amateurs "Pai-Chang" used to be performed by amateurs for worship of god or goddess or for seasoning and wedding celebration without rewards Amateurs volunteered to perform "Pai-Chang" only for their duty temples and fraternity of Peking opera aria The majority of the audience is people who perform or like "Pai-Chang" or who live nearby There is a fixed pattern of the performance including the repertoire and the arrangement of the band The main meaning of this performace is to pray God's blessings therefore the procedure of "Ban-Hsian" is the most essential and ahead of Peking opera aria singing With time goes by the number of the amateurs has dropped; yet the demand for the worship ceremony remains; hence some of the amateurs have been trained to become professional performers Besides although the idea and the meaning of "Pai-Chang" remains the pattern of the performance has become simplified and rigid which is because of the performers' number decreasing and market adapting Nowadays the whole ecosystem of the folklore Pai-Chang of Peking opera aria in Tainan city keep changing which is mainly influenced by the transition of the society(such as the time and space of the industrial and commercial society being compressed and most people's pursuing of specialization and utilitarianism etc ) According to the findings in this paper the phenomenon can be regarded as the subject matter both of Peking opera and folklore studies For the studies of the Taiwanese culture however the subject not only enriches the subject matters of the Taiwanese culture(signifies the localization of Peking opera and a new pattern of Taiwanese folklore) but also reflects the characters of diversification integration adaptation and compromise of Taiwanese culture which used to be influenced by different regimes and the historical contexts Facing such a multicultural context this paper thus suggests researchers should show an open-minded attitude toward the complex of the Taiwanese culture studies and then important phenomenon would not be ignored or misunderstood

代表了什麼意义？对於上述疑惑，查既有研究成果，不消没有论述者，具体提即「京调排场」现象的可说没有，基於此，有必要对台南市及其周边之民俗性京调排场，不管是语汇来由或者其现象本身，做一番研究。本研究透过文献、访谈、口述史、参与观察等方法，以文化有机体之纵的发展概念为经，以民俗表演之横切面各主客要素为纬，试图先对此文化现象调查并推论出一概貌：台南市民俗性京调排场的形成，是在京调传入台南，台南本地北管子弟改习或兼习京调后，结合北管音乐文化所固有的排场表演型态及民俗演出传统，融合而成，形成时间至迟在日治晚期。而一些不同时期的外来京调人士(如原本生长於其他地区、后移住台湾的票友，和中国大陆琴师等等)，也曾透过与当地子弟的接触，而习得或知晓「排场」语汇以及本地京调排场习俗者。此项音乐民俗表演在过往多由业余子弟於神诞或民众婚俗做寿时，对其有义务或交陪的庙宇及子弟间做酬酢性的演出，不收报酬；聆赏者多是京调同好与邻近民众，也有少数路过者；演出模式包括节目安排、乐队编制皆有一定；表演意涵上以「扮仙」祈求神明赐福人间最为重要，因此排仙必不可少，且一定先於京调演唱。随著时间推移，京调排场表演活动的各要素都有变动，惟变迁速度不一，大体而言，业余表演者锐减，人们对酬神娱神节目的需求仍在，因此一些过往的业余表演者遂逐渐转型为职业表演者。此外，虽然表演意涵不变，但在职业表演人员少、又要适应市场的情况下，表演模式亦逐渐流於简化、僵化。目前京调排场整体生态仍在转变的过程中，而这种变化应与工商社会时间空间的被压缩、事事追求专业化与尼Q化等因素有关。再者，据此概貌，在结论部分厘清其意义、定位以及其对台湾文化研究之启示。台南市及其周边之民俗性京调排场现象，可视为京剧研究与民俗研究的一环，然而对於台湾文化研究，除了其题材本身标志了京剧的本土化与台湾民俗活动之新类型，进一步扩充整体台湾文化研究的内容外，更重要的是现象背后所反映的台湾文化的多元融合与妥协适应取向。台湾的海岛地理位置与长期被不同文化背景政权所殖民的历史，其文化自然容易随社会环境改变而弹性适应变迁，呈现多元纷呈、多重覆叠的特色，因此展望未来，从事台湾文化研究应秉除单一观点，保持一定程度之开放与客观胸襟，方不忽视或误识更多重要的文化现象。

On this dissertation it is also definitely pointed that the key to research on "fantasy or trueness" virtuosity-perspective of copy-writing planning system is to solve problem about mode of thought, and presented the integrated thinking way of copy-writing planning'research of this dissertation, that is, from the point of view of copywriting integrated planning mind admitting a systemic "tripartite" viewpoint of advertising copy-writing planning system process which is thought of being "disparted" into mastermind, idea-making and expressive-technique, resolving the "fantasy or trueness -conflict" to bring to a successful conclusion of "fantasy or trueness" relation in the copywriting expression, and establishing a "dialectic virtuosity angle" of view- a "fantasy or trueness" virtuosity-perspective on copy-writing planning systemic research.

文案策划系统过程由创意策划、创意生成及创意表现三阶段组成，前两阶段属于文案策划系统研究思维方式层面的研究范围，后一阶段则属于操作方式层面的研究范围，辩证法矛盾普遍性原理决定了虚实矛盾存在于上述的一切过程及所有阶段之中，同时也存在于这个过程的结果之中。辩证法矛盾普遍性原理决定了这种特定的虚实矛盾的非对抗性质，即：虚实相生，虚以实为基础，又为实提供发展空间；虚实互为消长，统一于一体，相互作用，为广告目标及受众需要谋求虚实间最完美的比例关系匹配；这个过程中体现出&去伪存真&对&真善美&艺术境界的追求；在这个过程的结果中，则体现出文稿在视觉传达、文字的信息内涵及语义的情感诉求三个层面所追求的文稿在虚实方面的整体艺术美感。

Kempers' study , the more layers the mesh screen type had, its resistance against gravity was higher, but its heat resistance and flow resistance were comparatively augmented. As mentioned in the preceding paragraph, it is extremely difficult for a single micro structure based on any of the three types to possess both low flow resistance and strong capillary force. Faced with this fact, the researchers have tried to mix the three micro structures in Table 2 into as many combinations as possible so that a composite micro structure with low flow resistance and great capillary force may be fabricated. After a thorough analysis, the groove combined with sintered metal or mesh screen has been found to be a better alternative. However, the groove combined with sintered metal will raise the flow resistance of the channel, and the aluminum substrate employed in this research cannot be sintered into a micro structure. As a result, the groove combined with mesh screen is finally chosen as the composite structure to enhance its capillary force and at the same time maintain its high permeability. In this way, the heat pipe will not fail due to the working angles.

Kempers 的研究当中提到，当网格结构越多层时，其对抗重力的能力也越强，但相对的其热阻以及流阻也越高，就如同前段所述，我们很难在单一结构当中找出一流阻低且毛细力之微结构；因此本研究便以表2中之三种微结构进行组合，找出一低流阻且毛细力强之复合式结构，经分析发现，沟槽搭配烧结以及沟槽搭配网格为较佳之组合方式，但由于烧结搭沟槽构造将会提高流道之流阻，且本研究使用铝做为基材，并无法使用烧结最为其微结构，故将采用网格搭配沟槽之复合式结构提高结构的毛细力，并维持沟槽结构的高渗透性，解决因角度造成热管失效的问题。

The main research tasks and results are as follows:(1) Through comparing the stress intensity factor of compact tension specimen calculated by finite element software with the theoretical value, the feasibility of calculating fracture parameters of crack tip in ABAQUS software was verified.(2) The relationship between the elastic modulus of the material and research scale was studied based on deriving the cohesive stress theory and other relevant theories. And the elastic modulus of the material on meso-scale was determined.(3) Global model and sub-model of the finite element were built in th...e macro-scale, and stress-strain field nearby the crack tip was analyzed, and the results show that the detailed stress-strain in the crack tip could be obtained by using the sub-model technique.(4) In meso-scale, the crack growth model was also established by assuming the crack propagating along the grain boundary, and the detailed stress-strain field in the crack tip was obtained.(5) The effect of crack length on Von Mises stress, and maximum principal stress and strain was analyzed in meso-scale when equivalent KI equals 30MPa.m1/2. And the results show that except for crack tip area, the stress-strain distribution in whole specimen is not affected.

主要完成研究内容和取得成果如下：(1)利用有限元软件计算出紧凑拉伸试样的裂纹尖端应力强度因子KI值，其结果与理论值一致，从而验证了利用ABAQUS计算裂纹尖端相关断裂参量的可行性；(2)在研究内聚应力等相关理论的基础上，推导出了研究尺度与材料弹性模量的近似关系，并确定了介观尺度上的弹性模量；(3)在宏观尺度上建立了全局有限元计算模型和子模型，得到了裂纹尖端应力应变场分布，结果表明利用子模型技术获得比较准确的裂纹尖端应力应变场分布是可行的；(4)在介观尺度上利用平均晶粒尺度的方式建立了裂纹沿晶扩展模型，得到了裂纹尖端断裂过程区的微观应力应变场；(5)当应力强度因子为30MPa.m1/2时，分析了介观尺度上在裂纹沿晶扩展过程中裂纹长度对Mises应力、最大主应力和应变的影响，结果表明，裂纹扩展长度对试样整体应力应变分布影响不大，而对裂纹尖端区域有较大影响；(6)介。。。

Thirdly, it analyzes and studies in detail Surpac mechanism and the relevant concepts on constructing the model of mineral deposits and mining engineering systems according to the modeling procedure and the actual conditions of Jinchuan"s mines. Based on these:Lit points out some differences between the western countries and China in the practice of the geological data record, explores the inputting data on computers performed by more people at the same time and the method to improve constructing the data-base and finished the data-base of Jinchuan mineral deposits;2.It puts forward the steps and flow chart to construct the solid model and brings forward the scheme of "first individual then whole to set up Jinchuan mineral deposits geological model, summarizes some experiences for constructing the complicated geological ore body of the high accuracy: add control lines, add auxiliary demarcation lines +control lines, the operation of intersection, cross and incorporation between solid bodies and plane and section combination. The above-mentioned methods applied to construct the mineral deposits solid models of four mine areas in Jinchuan; 3.lt studies and presents the detailed flow chart of constructing block and grade model, analyses the workable scheme in setting up the block and grade model of main ore body for Jinchuan mineral deposits and also sets it up.

接着，按建模流程并结合公司矿山实情，详细研究、分析了Surpac构造矿床模型和采矿工程系统模型的机理、有关概念，在此基础上：(1)指出了西方国家与我国在地质数据记录习惯方面存在的一些差异，探索出多人多机同时录入、提高建库效率的方法，建立了金川矿床地质数据库；(2)研究并提出了构造实体模型的步骤和流程图及&先分后整&建立金川矿床地质体实体模型方案，总结出建立高精度复杂地质体模型几点经验：添加控制线法、添加辅助分界线+控制线法、实体间的交、叉、并运算法及平剖面图联合法，建立了金川矿床四个矿区主矿体的实体模型；(3)研究并提出了建立块模型、品位模型详细流程图，分析了建立金川矿床主矿体块模型和品位模型的可行方案，建立了金川矿床主矿体的块模型和品位模型。

For a big chunk of credit-card losses; the number of filings (and thus charge-off rates) would be rising again, whether

年美国个人破产法的一个改动使得破产登记急速下降，而后引起了信用卡大规模的亏损。

Eph. 4:23 And that you be renewed in the spirit of your mind

弗四23 而在你们心思的灵里得以更新