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A computer simulation of nucleation and growth of thin films

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science china(Physics,Mechanics & Astronomy) 2004年第4期47卷 442-451页

作者： ZHENG Xiaoping1,ZHANG Peifeng2,HE Deyan2,LIU Jun2& MA Jiantai3.1. Key Laboratory of Opto-Electronic Technology and Intelligent Control, Ministry of education, Lanzhou Jiaotong University, Lanzhou 73.070, china 2. school of Physical {3. and Technology, Lanzhou University, Lanzhou 73.000, china 3. school of Chemistry and Chemistry Engineering, Lanzhou University, Lanzhou 73.000, china Key Laboratory of Opto-Electronic Technology and Intelligent Control Ministry of Education Lanzhou Jiaotong University Lanzhou China school of Physical science and Technology Lanzhou University Lanzhou China school of Chemistry and Chemistry Engineering Lanzhou University Lanzhou China

A three-dimensional kinetic Monte Carlo technique has been developed for simulating the nucleation and growth of thin films. This model involves incident atom attachment, surface diffusion of the atoms on the growing surface and atom detachment from the growing surface. It takes some new effects into account, such as a significant improvement in calculation of activation energy for the atom diffusion, which renders the model more reasonable. In addition three optimum temperatures and the consistency of their dependence on deposition rate have been found out; the dependence of the surface roughness and relative density on the deposition rate has been discussed; and the approximation of freezing neighbour atoms and periodic boundary conditions has been applied.

关键词： Monte Carlo, thin film, nucleation, surface roughness, relative density.

Node ordinal encoded genetic algorithm for the optimal allocation of water resources

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Progress in Natural science:Materials International 2005年第5期15卷 448-452页

作者： YANG Xiaohua1*, YANG Zhifeng 1,2, SHEN Zhenyao1 and LI Jianqiang3.1. State Key Laboratory of Water Environment Simulation, school of Environment, Beijing Normal University, Beijing 100875, china 2. Key Laboratory for Water and Sediment sciences Ministry of {3., school of Environment, Beijing Normal University, Beijing 100875, china 3. Water Resources and Hydropower Planning and Design General institute, MWR, Beijing 100011, china) State Key Lab. of Water Environ. Simulation Sch. of Environ. Beijing Normal Univ. Beijing 100875 China Key Lab. for Water and Sediment Sci. Min. of Edu. Sch. of Environ. Beijing Normal Univ. Beijing 100875 China Water Resources and Hydropower Planning and Design General Inst. MWR Beijing 100011 China

A new method, node ordinal encoded genetic algorithm (NOEGA), is proposed for solving water resources optimal allocation problems, in which the capacity of water resources is split into a number of smaller parts so that successive operations can be overlapped. Our objective is to maximize the whole benefit function. To overcome the “dimensionality and algorithm complexity curse” while searching for solutions and looking for an optimal solution, the operations of one-point crossover operator, gene exchange operator, gene random operator, gene shift operator and node ordinal strings are established. It is proved to be an effective optimal method in searching for global solutions. The NOEGA does not need a diversity of initial population, and it does not have the problem of immature convergence. The results of two cases show that using NOEGA to solve the optimal allocation model is very efficient and robust. In addition, the algorithm complexity of NOEGA is discussed.

关键词： water resources optimal allocation node ordinal code genetic algorithm.

Development and Application of High Performance X80 Line Pipe for the 2^(nd) West-East Gas Pipeline

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Journal of Iron and Steel Research International 2011年第S1期18卷 39-48页

作者： LI He-lin 1 , HUO Chun-yong 1 , JI Ling-kang 1, 2 , LI Yang 1, 3.(1. CNPC Tubular Goods Research institute, Xi’an 710065, china 2. . school of Material {3. and Engineering, Xi’an Jiaotong University, Xi’an 710049, china 3. school of Material {3. and Engineering, University of {3. and Technology Beijing, Beijing 100083. china) CNPC Tubular Goods Res Inst Xian 710065 Peoples R China Xi An Jiao Tong Univ Sch Mat Sci & Engn Xian 710049 Peoples R China Univ Sci & Technol Beijing Sch Mat Sci & Engn Beijing 100083 Peoples R China

It is the development tendency of gas pipeline to improve strength of line pipe and transmission pressure, which is an important symbol of the progress of gas pipeline technology. The 2nd West-East Gas Pipeline (the 2 nd WEGP) is the largest-scale X80 high pressure gas pipeline project in the world. Through the joint development project by Pipeline Company, research institute, and steel company, a series of achievements of technology have been obtained, which makes it possible to apply pressure of 12 MPa and X80 LSAW and HSAW pipe for the 2 nd WEGP. Specifications of X80 steel and pipe have been issued based on API 5L. High performance X80 steel and pipe have been developed and meets the Specification. General design conception of applying HSAW pipe and LSAW pipe on gas transmission trunk line with large diameter and high pressure has been established. Failure control of the 2 nd WEGP has been carried out to avoid failure and reduce the lost which based on analysis of pipeline failure mode. In this paper, research and development of high performance X80 welded pipe, establishment of technical route of joint application of HSAW and LSAW steel pipe and key technology of failure control are emphatically discussed.

关键词： 2 nd WEGP acicular ferrite failure control arrest toughness strain-based design

Analysis for twinning and slip in face-centered cubic crystals under axisymmetric co-deformation

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science china(Technological sciences) 2006年第5期49卷 521-536页

作者： CHEN Zhiyong1,2, CAI Hongnian1, ZHANG Xinming2, WANG Fuchi1 & TAN Chengwen1,3.1. school of Material science and Engineering, Beijing institute of Technology, Beijing 100081,{3. 2. school of Material science and Engineering, Central South University, Changsha 410083.{3. 3. school of Material science and Engineering, Beijing University of Aeronautics and Astronautics, Beijing 100083.{3. school of Material science and Engineering Beijing Institute of Technology Beijing China school of Material science and Engineering Central South University Changsha China school of Material science and Engineering Beijing University of Aeronautics and Astronautics Beijing China

The maximum work principle of Bishop-Hill was developed to analyze the axisymmetric co-deformation in face-centered cubic crystals (f.c.c.) for twinning on {111} 112 and slip on {111} 110 systems. The influence of ξ , the ratio of critical re- solved shear stress for twinning to slip, on the yield stress states and corresponding active slip or/and twinning systems for orientations in the standard stereographic triangle of cubic crystal was investigated systematically. The Taylor factors and the anisotropy of yield strength for three important orientations [100], [110] and [111] in orientation space were analyzed. It is found that the yield strength asymmetry for the case of axisymmetric de- formation of tension and compression can be explained based on the microscopic theory of crystal plasticity. The concept of orientation factor for twinning ability was proposed and the deformation mechanism map in the orientation space was established for the case of axisymmetric deformation. The deformation texture formation and development of f.c.c. crystals with low stacking fault energy for axisymmetric tension can be explained qualita- tively on the basis of analyzed results.

关键词： twinning slip face-centered cubic crystals axisymmetric co-deformation Bishop-Hill maximum work principle yield strength anisotropy

Representation of microscale ocean wavenumber spectrum correct to the second order

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science china Earth sciences 2005年第4期48卷 549-554页

作者： YUAN Yeli2 & HUA Feng1,2,3.1. institute of Oceanology, Chinese Academy of sciences, Qingdao 266071, china 2. Key Laboratory of Marine science and Numerical Modeling, State Oceanic Administration, Qingdao 266061, china 3. Graduate school of the Chinese Academy of sciences, Beijing 10003., china Key Laboratory of Marine science and Numerical Modeling State Oceanic Administration Qingdao China institute of Oceanology Chinese Academy of Sciences Qingdao China Graduate school of the Chinese Academy of sciences Beijing China

In this paper, the analytical representations of four wave source functions in high-frequency spectrum range are given on the basis of ocean wave theory and dimensional analysis, and the perturbation method is used to solve the governing equations of ocean wave high-frequency spectrum on the basis of the temporally stationary and locally homogeneous scale relations of microscale wave. The microscale ocean wavenumber spectrum correct to the second order has an explicit structure, its first order part represents the equilibrium between dif- ferent source functions, and its second order part represents the contribution of microscale wave propagation.

关键词： temporally stationary and locally homogeneous, source function in high-frequency spectrum range, microscale ocean wavenumber spectrum.

The characteristics of arc beam shaping in hybrid plasma and laser deposition manufacturing

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science china(Technological sciences) 2006年第2期49卷 238-247页

作者： ZHANG Hai’ou1, QIAN Yingping1,3. WANG Guilan1 & ZHENG Qiguang2 1. school of Material science and Technology, Huazhong University of science and Technology, Wuhan 43.074,{3. 2. institute of Laser Technology and Engineering, Huazhong University of science and Technology, Wuhan 43.074,{3. 3. Mechanical Engineering College, Hubei University of Technology, Wuhan 43.068,{3. school of Material science and Technology Huazhong University of Science and Technology Wuhan China Mechanical Engineering College Hubei University of Technology Wuhan China institute of Laser Technology and Engineering Huazhong University of Science and Technology Wuhan China

As a new direct metal prototyping technology,the hybrid plasma and laser deposition manufacturing (PLDM) is proposed in this paper. In order to figure out the characteristics of plasma arc beam and mould in the PLDM process of high temperature alloy, the high speed CCD camera is used to obtain the picture around the plasma arc. Afterwards the sketch of picture is clearly obtained. And the effect of laser parameter, such as average power, pulse width, pulse repetition frequency and the angle between laser beam and plasma arc beam on the plasma arc appearance, is studied experimentally. The results show that the modality of plasma arc beam is markedly influenced by laser beam. And the improvements of shape precision and surface state of the layer deposited by PLDM are confirmed.

关键词： plasma hybrid laser, direct deposition, plasma arc beam, molding character, high-temperature alloy.

A study of two-dimensional magnetic polaron

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science china(Physics,Mechanics & Astronomy) 2006年第4期49卷 421-429页

作者： LIU Tao1, ZHANG Huaihong1, FENG Mang1,2 & WANG Kelin1,3.1. school of science, Southwest University of science and Technology, Mianyang 621010,{3. 2. Wuhan institute of Physics and Mathematics, Chinese Academy of sciences, Wuhan 43.070,{3. 3. Department of Modern Physics, University of science and Technology of{3., Hefei 23.026,{3. school of science Southwest University of Science and Technology Mianyang China Wuhan institute of Physics and Mathematics Chinese Academy of Sciences Wuhan China Department of Modern Physics University of Science and Technology of China Hefei China

By using the variational method and anneal simulation, we study in this paper the self-trapped magnetic polaron (STMP) in two-dimensional anti-ferromagnetic material and the bound magnetic polaron (BMP) in ferromagnetic material. Schwinger angular momentum theory is applied to changing the problem into a coupling problem of carriers and two types of Bosons. Our calculation shows that there are single-peak and multi-peak structures in the two-dimensional STMP. For the ferromagnetic material, the properties of the two-dimensional BMP are almost the same as that in one-dimensional case; but for the anti-ferromagnetic material, the two-dimensional STMP structure is much richer than the one-dimensional case.

关键词： self-trapped magnetic polaron, bound magnetic polaron, impurity potential, anti-ferromagnet.

A new DNA algorithm to solve graph coloring problem

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Progress in Natural science:Materials International 2007年第6期17卷 733-738页

作者： Jiang Xingpeng1, Li Yin2, Meng Ya3.and Meng Dazhi2(1. National Laboratory of Pattern Recognition,institute of Automation, Chinese Academy of sciences, Beijing 100080, china 2. College of Applied sciences, Beijing University of Technology, Beijing 100022, china 3. school of science, Beijing institute of Technology, Beijing 100081, china) National Laboratory of Pattern Recognition Institute of Automation Chinese Academy of Sciences Beijing 100080 China College of Applied sciences Beijing University of Technology Beijing 100022 China school of science Beijing Institute of Technology Beijing 100081 China

Using a small quantity of DNA molecules and little experimental time to solve complex problems successfully is a goal of DNA computing. Some NP-hard problems have been solved by DNA computing with lower time complexity than conventional computing. However, this advantage often brings higher space complexity and needs a large number of DNA encoding molecules. One example is graph coloring problem. Current DNA algorithms need exponentially increasing DNA encoding strands with the growing of problem size. Here we propose a new DNA algorithm of graph coloring problem based on the proof of four-color theorem. This algorithm has good properties of needing a relatively small number of operations in polynomial time and needing a small number of DNA encoding molecules (we need only 6R DNA encoding molecules if the number of regions in a graph is R).

关键词： DNA computing NP-hard problem graph coloring problem.

Effect of rock mass structure and block size on the slope stability——Physical modeling and discrete element simulation

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science china(Technological sciences) 2005年第Z1期48卷 1-17页

作者： LI Shihai1, LIAN Zhenzhong1,2 & J. G. Wang3.1. institute of Mechanics, Chinese Academy of sciences, Beijing 100080, china 2. Graduate {3., Chinese Academy of sciences, Beijing 100060, china 3. Tropical Marine science institute, National University of Singapore, Singapore 119260 institute of Mechanics Chinese Academy of Sciences Beijing 100080 China Graduate school Chinese Academy of Sciences Beijing 100060 China Tropical Marine science institute National University of Singapore Singapore 119260 Singapore

This paper studies the stability of jointed rock slopes by using our improved three-dimensional discrete element methods (DEM) and physical modeling. Results show that the DEM can simulate all failure modes of rock slopes with different joint configurations. The stress in each rock block is not homogeneous and blocks rotate in failure development. Failure modes depend on the configuration of joints. Toppling failure is observed for the slope with straight joints and sliding failure is observed for the slope with staged joints. The DEM results are also compared with those of limit equilibrium method (LEM). Without considering the joints in rock masses, the LEM predicts much higher factor of safety than physical modeling and DEM. The failure mode and factor of safety predicted by the DEM are in good agreement with laboratory tests for any jointed rock slope.

关键词： rock masses, slope stability, DEM simulation, block size effect, joints configuration effect, limit equilibrium method.