Aiming at the requirements of modern high performance embedded system with high speed Serial RapidIO (SRIO) interconnect, a SRIO protocol controller IP with AXI interface is proposed. The hardware design of SRIO IP is implemented on the Xilinx XC5VLX220-FF1760 FPGA device. The proposed SRIO IP implemented with reasonable hardware architecture and some key design thoughts, can improve the speed of information collection and the real-time quality of data transmission. Meanwhile, the SRIO IP with resort to AXI bus can be more easily integrated into an SoC chip, which can also provide higher bandwidth for data transmission inside the chip. Consequently, the multi-DSP inside the FPGA device with the proposed SRIO IP can stably work at a very high reading/writing rate of 3.125 Gbps for each channel, which shows the performance of the proposed SRIO IP.

According to the hardware Trojans inserted during design and fabrication, the authors provide a new model of Trojan. New model is based on a finite state machine which is more difficult to trigger and detect than those based on combinational circuits. Also, the locations in target circuits to insert Trojans are considered to avoid being detected using path delay fingerprint method. S349 circuit from ISCAS’89 benchmark circuits is chosen as the target circuit. Functional simulations are performed and delay information is simulated. The results show that this type of hardware Trojan is difficult to activate and the insertion method is effective to hide delay information.

Four sections of dolomite, grainstone, micritic limestone and granulir micritic limestone in Dawangou of Keping area are selected, and their structural fractures are statistically analyzed. The results of fracture density measurements show that the value of the fracture density from big to small is dolomite, grainstone, micritic limestone and granulir micritic limestone, which means in the same tectonic setting dolomite is easier to produce structural fracture. Also, the purer and the bigger granules the carbonate have, for example limestone, the more difficulty to produce structural fracture. The relationship between the structural fracture and the rock mechanics parameters is discussed.

Through analyse of characters of China's earthquake and comparison of present technology conditions of the emergency rescue equipments in the domestic and international vital catastrophes. Based on “the project of the scientific research concerning Wenchuan 8.0 Earthquake Emergency Rescue”in China, the authors study sufficiently the various impediments factors to implement the earthquake catastrophe rescue on the aspects of technique and equipment in china. Furthermore, there are the following many considerations, for example, the communication command and management of the emergency rescue, the collection and transmission of the information from the rescue locale, the rescue and accessorial systems of the experts decision-making, especially, after the vital earthquake, the actions of searching lifes in the ruins, the rescue and safe protection suitable to the complex conditions of the landslides and the blocked traffic, the environment of the tumbled large building constructs and the small spaces in the ruins and so on. The basic technological equipment demands are presented to guarantee the effective rescue when a great earthquake occurs in China anywhere.

Three periods of structural stress fields can be recognized since Permian in Junggar Basin and adjacent areas based on structural evolution analysis, that is the end of Permian, the end of Jurassic (or lasting to the end of K1) and Neogene. Their maximum principal stress orientation are respectively NWW-NW, near SN, and NNE, which are derived from the occurrence data of the stress-response structures, i. e. , dykes, joints, slickensides, folds and faults. Furthermore, the authors simulated the stress field since Neogene based on 2D finite-element method, to deeply analyze the following questions: distribution and direction of stresses in the whole basin; influence of the geometry model for the stress field; as well as the dynamics of structures related to stress field.

Mesoproterozoic mafic dyke swarms are extensively developed in the Western Shandong, the east of the North China Craton, which intruded the Early Precambrian crystal basement. The dorminant orientation of these mafic dykes is nearly N-S trending. The mafic dyke swarms in the Western Shandong belong to LREE enrichment magmatic rocks, and are formed in a continental rift environment according to petrology and geochemistry of these mafic dykes. The flow structures and geometry evidences of the dykes indicatethat the magma source of these dykes intruded the pre-existingtensional rupture . The dyke swarms in the Western Shandong intruded from North to South. Angles between the long axis orientations of magnetic fabric textures and the middle line of dykes suggest that the flow direction of these dykes is from North to South. Further it indicate that the dykes intruded fromNorth to South. These flow structures, geochemistry and magnetic fabric textures suggest that magma come from enriched mantle magma source beneath the Yanliao-Zhongtiao aulacogens based on space-time relationship between the mafic dyke swarms and Yanliao-Zhongtiao aulacogens.

A genetic algorithm assisted beam tracking and forming is applied to solve the problem of tracking a continuous moving signal while suppressing a strong fixed interference. An improved binary coding method is proposed, which introduces several parameters to control the solution precision and search space efficiently. The convergence and reliability of this algorithm are given much consideration. The simulation results show that the algorithm is able to track a fast moving signal while suppressing a fixed interference.

The accuracy of several density functionals for exchange energy (LDA, B88, BR89, B2000, VSX and CPX, a composite functional proposed in the present paper) has been examined through the calculation of a series of atoms and molecules by means of DFT method with different exchange potential functionals. The following conclusion can be drawn. The nonlocal correction improves significantly the calculated exchange energies for atoms, among them the functional B88 and CPX give the best results. For the molecules containing only light elements all examined exchange energy functinals, except LDA, give satisfactory atomization energies. The calculation accuracy is approximately equal to or better than that of MP2 approach. However, for the molecules containing heavy elements the error of the calculated atomization energies increases significantly in all cases, only the functionals B88, CPX and BR89 give relatively reliable results. The results calculated with the functionals VSX are even worse than those calculated with LDA. The nonlocal correction does not improve the calculated results of the first ionization potentials. Although the functional VSXC is successful when it is applied to the systems containing only light elements, its performance is bad when heavy elements are involved in the systems under consideration. The functional CPX shows pretty good performance. It seems possible to develop an exchange energy functional with high accuracy even for the calculation of heavy-elements containing systems through carefully optimizing the parameters involved in the functional CPX or some other composite exchange energy functionals.

The function to perform approximate relativistic density functional calculations with the method proposed has been incorporated into the nonrelativistic density functional calculation program written by our group previously. The functions to generate symmetrical group orbitals by our new method and to implement the evaluation of analytical energy gradients as well as its use in automatic geometry optimization are also incorporated. The numerical quadrature scheme has also been improved. The parallel algorithm has been implemented in the program under MPICH scheme. The extended program satisfies generally the requirement of quantum chemistry calculations for various systems, especially for systems containing heavy elements. The feature, structure and functions of the program are briefly described.

A method is proposed to construct a localized active functional space from the density matrix of a large system. The large system is partitioned into central and surrounding areas. The active functional space is mainly localized on the central area. It contains all basis functions centered at the central area and all the orbitals which consist of the basis functions localized in the surrounding area and interact with the basis functions in the central area to a certain extent. An integral number of electrons are involved in the localized active functional space which can be considered as a relatively independent subsystem in the large system and for which formally isolated quantum chemical calculations can be performed. The related program has been coded and is checked through calculating the number of 4f electrons involved in the active functional space centered in the lanthanide atom of lanthanide trichloride and hydrated lanthanide ions.

The electronic structure and chemical bonding of Eu₂S and EuS₂ have been studied by means of the density functional theory. It is shown that the Eu-S bonding mainly comes from the interaction between Eu 5d and S 3p orbitals in both molecules. The 4f orbitals are localized in essence. The contribution of the Eu atomic orbitals to the Eu-S bonding follows the order: 5d>6p>6s>4f. The characteristics of the electronic structure show that the valence of Eu is 2 both in Eu₂S and EuS₂, which shows that the 4f orbitals can not become the signifacant component of the bonding molecular orbitals. The covalency of the Eu-S bond is 68% in Eu₂S and 57% in EuS₂.

The geometry configurations of HFe(CO)⁺₅ and Mn(CO)^-₅ are optimized with density functional method at LDA and NL/LDA approximation levels. The proton affinity EPA of Fe(CO)₅ is estimated as 751.6kJ/mol from the results of NL/LDA. The EPA of Fe(CO)₅ is in between those of HCN and NH₃， which gives an explanation to the experimental facts that, on the one hand, Fe(CO)₅ snatches a proton from H₂CN⁺ conveniently, onthe other hand, it is impossible to transfer proton from NH⁺₄ to Fe(CO)₅. There is symmetry transformation of geometry configuration involving in the proton ionization reaction of HFe(CO)⁺₅ ,i.e. from C_4v point group symmetry of Fe(CO)₅ in HFe(CO)⁺₅ to D3h of free Fe(CO)₅, which is similar to the geometry relaxation in proton ionization of isoelectronic HMn(CO)₅. The calculated relaxation energy for the molecular fragment Fe(CO)₅ is -59.78kJ/mol. Our investigation also shows that the backdonated π bonding,Fe→CO，is strengthened after ionization of H⁺ from HFe(CO)⁺₅ ,leading to the shortening of the Fe--C bond length and lengthening of the C--O bond length; synchronously, the electron charge distributed on the Fe atom decreases, while negative charges on the C and O atoms increase. The Mulliken population analysis gives the same tendency, i.e. the F--C bond orders increase and the C--Obond orders decrease after ionization of H⁺ from HFe(CO)⁺₅ .

Bile acids play an important role in the digest process. It was found that various bile acids exhibited different biological and spectroscopic behavior. We supposed the difference may be correlated with the different capability of forming intra-molecular hydrogen bond. So the possibility of forming intramolecular hydrogen bond for various bile acids were investigated by molecular mechanics calculation code MM3. In this paper, we proposed a new pre-optimized calculation method, which was used along with the MM3 molecular mechanics calculation to evaluate the possibility of forming intra-molecular hydrogen bond in various bile acids. The calculation results show that (1) 17R-7α-OH-bile acid is not able to form stable intra-molecular hydrogen bond while the 17S-7α-OH-bile acid can form two stable intramolecular hydrogen bonds. The stability of the conformation is proved by the fact that the conformation has lower steric energy and no negative vibration frequncies. (2) 17S-12α-OH-bile acid can also form intra-molecular hydrogen bond.

The development of density functional theory and its applications made it necessary to improve the relevant calculation accuracy. Based on analysis of the factors influencing the calculation errors and adopting suitable techniques to treat them, a scheme and the correspondent program for solving Kohn-Sham equation have been presented. With this program, the accuracy of the calculated total energy can posses 8 digitals with reasonable computation efforts. This accuracy is higher than that of the usual DVM results for 2 to 3 level, and can satisfy the requirement of up to date general quantum chemistry researches. In this paper, the scheme and program will be described in some detail.