通过平均场处理的严格重正化群变换方法对Potts模型的应用

本文运用作者所发展的严格docimation- 平均场近似方法对Potts 模型的临界指数作了计算.所得结果与严格解符合得很好, 而与计算工作量相当的重正化群方法相比, 精确度大为提高。 关键词：     

A gas-kinetic scheme for shallow-water equations with source terms

In this paper, the Kinetic Flux Vector Splitting (KFVS) scheme is extended to solving the shallow water equations with source terms. To develop a well-balanced scheme between the source term and the flow convection, the source term effect is accounted in the flux evaluation across cell interfaces. This leads to a modified gas-kinetic scheme with particular application to the shallow water equations with bottom topography. Numerical experiments show better resolution of the unsteady solution than conventional finite difference method and KFVS method with little additional cost. Moreover, some positivity properties of the gas-kinetic scheme is established.     

Ab-initio molecular dynamics simulation on nano-system under external pressure

A new constant-pressure molecular dynamics (MD) method is developed to simulate the dynamic behavior and structure transition of finite system under external pressure. In this method, no artificial parameter is introduced and the computation overheads are very small. As an application, a hard-soft transition of single wall carbon nanotube (SWCNT) under external pressure is found, which is in agreement with the experiments.

     

Synthesis of β-phenyl-δ,ε-unsaturated amino acids and stereoselective introduction of side chain groups into [4,3,0]-bicyclic β-turn dipeptides

(2S,3S)- and (2R,3R)-2-amino-3-phenyl-5-hexenoic acids have been synthesized in large scale by using Ni(II)-complexes as a template. The amino acids were used in the synthesis of [4,3,0]-bicyclic β-turn mimetics by a convergent methodology. The unique advantage of this strategy is the convenience of introducing side chain groups with predetermined chiralities on both the five- and six-membered heterocyclic rings.     

Relaxor behavior of (Ba,Sr)(Zr,Ti)O3 ferroelectric ceramics

We examine the ferroelectric-relaxor behavior of (Ba_0.65Sr_0.35)(Zr_0.35Ti_0.65)O₃ (BSZT) ceramics in the temperature range from 80 to 380 K. A broad dielectric maximum, which shifts to higher temperature with increasing frequency, signifies the relaxor-type behavior of these ceramics. The value of the relaxation parameter γ∼2 estimated from the linear fit of the modified Curie-Weiss law, indicates the relaxor nature of the BSZT ceramics. The dielectric relaxation rate follows the Vogel-Fulcher relation with T_VF=107 K, E_a=0.121 eV, and ν₀=6.83×10¹⁴ Hz, further supports such relaxor nature. The slim P-E hysteresis loop and ‘butterfly’ shape dc bias field dependence of permittivity at T>T_m (T_m, the temperature of permittivity maximum) clearly signifies the occurrence of nanopolar clusters, which is the typical characteristic of ferroelectric relaxor. At 300 K and 10 kHz, the dielectric constant and loss tan δ are ∼1100 and 0.0015, respectively. The high tunability (∼25%) and figure of merit (∼130) at room temperature show that the BSZT ceramics could be a promising candidate for tunable capacitor applications.     

完全Rees矩阵半群的分解及性质

用等价关系Q^~出了完全Rees矩阵半群的一种分解．而且得到了它的每个Q^~一类的表示．     

20-relative neighborhood graphs are hamiltonian

For any two points p and q in the Euclidean plane, define LUN_pq = { v | v ∈ R², d_pv < d_pq and d_qv < d_pq}, where d_uv is the Euclidean distance between two points u and v . Given a set of points V in the plane, let LUN_pq(V) = V ∩ LUN_pq. Toussaint defined the relative neighborhood graph of V, denoted by RNG(V) or simply RNG, to be the undirected graph with vertices V such that for each pair p,q ∈ V, (p,q) is an edge of RNG(V) if and only if LUN_pq (V) = ?. The relative neighborhood graph has several applications in pattern recognition that have been studied by Toussaint. We shall generalize the idea of RNG to define the k-relative neighborhood graph of V, denoted by kRNG(V) or simply kRNG, to be the undirected graph with vertices V such that for each pair p,q ∈ V, (p,q) is an edge of kRNG(V) if and only if | LUN_pq(V) | < k, for some fixed positive number k. It can be shown that the number of edges of a kRNG is less than O(kn). Also, a kRNG can be constructed in O(kn₂) time. Let E_c = {e_pq| p ∈ V and q ∈ V}. Then G_c = (V,E_c) is a complete graph. For any subset F of E_c, define the maximum distance of F as max_epq∈Fd_pq. A Euclidean bottleneck Hamiltonian cycle is a Hamiltonian cycle in graph G_c whose maximum distance is the minimum among all Hamiltonian cycles in graph G_c. We shall prove that there exists a Euclidean bottleneck Hamiltonian cycle which is a subgraph of 20RNG(V). Hence, 20RNGs are Hamiltonian.     

Reactivity of 3-alkyl-4-arylazomethylene-3,4-dihydro-1,2,3-benzotriazines in protic solvents: 1,4-Addition reactions and dimroth rearrangement

3-Alkyl-4-arylazomethylene-3,4-dihydro-1,2,3-benzotriazines 5a and 5b undergo facile 1,4-addition of methanol or ethanol to afford stable crystalline hydrazones, 6 and 8 which have been characterised by spectroscopic analysis. In particular, the nmr spectrum of 8 shows novel features due to the diastereotopic nature of the CH₂ protons in the two O-ethyl groups. Compound 5b shows a property unique to the compounds in this series; refluxing this arylazomethylenetriazine in ethanol affords a rearranged product, characterised as the 1-aryl-2-cinnolinylhydrazine ( 9 ). The formation of 9 is rationalised as a ring opening-ring closure process analogous to the Dimroth rearrangement. The cinnoline 9 displays some novel chemistry arising from the facility of the arylhydrazino substituent to react with acid to give a fragmentation product, 3-methylindazole ( 7 ).