MgCu4Sn型稀土镁合金相力学和热力学性质的第一性原理研究

采用基于密度泛函理论的第一性原理计算方法,系统研究了典型立方结构合金相LaMgX4(X=Co, Ni, Cu)的力学特性和热力学特性。根据广义胡可定律计算了合金相的单晶弹性常数;根据单晶弹性常数和Hershey’s averaging方法计算了合金相的多晶弹性模量、泊松比、Zener各向异性因子和德拜温度。采用基于准谐近似的Gibbs2代码计算了LaMgX4(X=Co, Ni, Cu)合金相的吉布斯自由能、熵和等体热容与温度的关系。LaMgNi4的计算结果与其他文献计算结果及实验结果符合的很好。结果表明：LaMgX4 (X= Co, Ni, Cu)合金均为延展性、塑性和弹性各向异性材料。德拜温度按以下顺序递减：LaMgNi4>LaMgCu4>LaMgCo4。     

A Decision Criterion for the Optimal Number of Clusters in Hierarchical Clustering

Clustering has been widely used to partition data into groups so that the degree of association is high among members of the same group and low among members of different groups. Though many effective and efficient clustering algorithms have been developed and deployed, most of them still suffer from the lack of automatic or online decision for optimal number of clusters. In this paper, we define clustering gain as a measure for clustering optimality, which is based on the squared error sum as a clustering algorithm proceeds. When the measure is applied to a hierarchical clustering algorithm, an optimal number of clusters can be found. Our clustering measure shows good performance producing intuitively reasonable clustering configurations in Euclidean space according to the evidence from experimental results. Furthermore, the measure can be utilized to estimate the desired number of clusters for partitional clustering methods as well. Therefore, the clustering gain measure provides a promising technique for achieving a higher level of quality for a wide range of clustering methods.     

The numerical approximation of center manifolds in Hamiltonian systems

In this paper we develop a numerical method for computing higher order local approximations of center manifolds near steady states in Hamiltonian systems. The underlying system is assumed to be large in the sense that a large sparse Jacobian at the equilibrium occurs, for which only a linear solver and a low-dimensional invariant subspace is available. Our method combines this restriction from linear algebra with the requirement that the center manifold is parametrized by a symplectic mapping and that the reduced equation preserves the Hamiltonian form. Our approach can be considered as a special adaptation of a general method from Numer. Math. 80 (1998) 1-38 to the Hamiltonian case such that approximations of the reduced Hamiltonian are obtained simultaneously. As an application we treat a finite difference system for an elliptic problem on an infinite strip.     

Operator Matrix Forms of Positive Operators

If a 3-tuple (A:H1→H1,B:H2→H1,C:H2→H2）of operators on Hibert spaces is given,we proved that the operator ～↑A:=(↑A ↓B^*↑B ↓C) on H=H1 H2 is ≥0 is and only if A≥0,R(B)∪→R（A^1/2) and C≥B^* A^ b,where A^ is the generalized inverse of A.In general,A^ is a closed operator,but since R(B)∪→R(A^1/2,B^* A^ B is bounded yet.     

一种改进边界元法在弹性扭转问题中的应用

本文用一种改进边界元法分析与计算了椭圆截面等直杆的扭转问题.并与边界元法的解进行比较,其结果极为符合.然而,改进边界元法较边界元法所需要的数据量少得多,计算时间也将大大减少了.因此,本文方法对求解Poisson方程问题是一种经济而行之有效的数值计算方法.     

烃类烟粒红外复折射率的测定与应用

测定了室温下烃类(乙炔、乙烷)烟粒的红外复折射率,并讨论了所获数据在测量烟浓度与烟粒大小分类、计算光谱吸收系数及在特定浓度与温度下评估烟雾辐射率方面的应用。     

关于对偶扩张代数有限维数的注记

没A是一个有限维代数，R为A的对偶扩张代数．本我们讨论R的有限维数findim R of R，证明了，在—般情况下findim R≠2findim A，这就回答了惠昌常教授所提的一个问题．     

Monomial bases for -Schur algebras

Using the Beilinson-Lusztig-MacPherson construction of the quantized enveloping algebra of and its associated monomial basis, we investigate -Schur algebras as ``little quantum groups". We give a presentation for and obtain a new basis for the integral -Schur algebra , which consists of certain monomials in the original generators. Finally, when , we interpret the Hecke algebra part of the monomial basis for in terms of Kazhdan-Lusztig basis elements.

     

建筑物爆炸泄压的试验研究

本文报导了在1米~3和30米~3两个爆炸泄压试验装置内进行的360余次试验结果。证明了在有平行壁面的建筑物内发生的可燃气爆炸泄压过程中,声动不稳定燃烧压力峰P3是建筑物的主要破坏因素。试验表明,本文发展的一种爆炸减压板具有消除P3的效应。     

Pressure dependences of elastic and lattice dynamic properties of AlAs from ab initio calculations

Ab initio calculations, based on norm-conserving nonlocal pseudopotentials and density functional theory (DFT), are performed to investigate the structural, elastic, dielectric, and vibrational properties of aluminum arsenide AlAs with zinc-blende (B3) structure and nickel arsenide (B8₁) structure under hydrostatic pressure. Firstly, the path for the phase transition from B3 to B8₁ is confirmed by analyzing the energies of different structures, which is in good agreement with previous theoretical results. Secondly, we find that the elastic constants, bulk modulus, static dielectric constants, and the optical phonon frequencies are varying in a nearly linear manner under hydrostatic pressure. What is more, the softening mode of transversal acoustic mode at X point supports the phase transition in AlAs.