The (010) Surface of the Al45Cr7 Complex Intermetallic Compound: Insights from Density Functional Theory

The Al₄₅Cr₇ compound is considered to exhibit an approximant structure of the icosahedral Al₄Cr phase. Its (010) surface has been investigated in detail using density functional calculations. Surface energy calculations show that the stable terminations result from a cleavage of the crystal between adjacent atomic planes, in agreement with the layered structure of the compound. The integrity of the icosahedral atomic arrangements (icosahedral clusters) found in the bulk structure, is predicted to be removed at the surface. This result is in contrast to what has been previously concluded for the (010) surface of the Al₁₃Fe₄ quasicrystal approximant. Our findings are discussed in relation to the bonding network in the compound, calculated using the Crystal Orbital Hamiltonian Population approach, as possible reasons for such contrasted behavior.     

细胞色素b5突变体V45H NMR初步研究

通过分析在H2O和D2O中采集,DQF-COSY,TOCSY和NOESY等二维核磁共振波谱鉴定了细胞色素b5定点突变体V45H(残基Val^45突变为His^45)的大多数氨基酸残基的质子自旋系统,通过解析NOESY谱中的dNN(i,i+1),dαN(i,i+1),dαN(i,i+2),dαN(i,i+3),dαβ(i,i+3)和dβN(i,i+1)等NOE相关,完成了其序列特异性归属以及主链和侧链质子共振信号的全归属。突变体V45H的二级结构分析表明残基Val^45突变为His^45对分子的整体折叠影响不大。但是,与野生型细胞色素b5相比较,突变体V45H主链酰胺质子的化学位移指数提示突变使其血红素疏水腔的微环境受到扰动。以上实验结果为进一步测定V45H的溶液结构和分析残基Val^45在蛋白质中的作用提供了基础。     

Dijkgraaf–Witten invariants of surfaces and projective representations of groups

We compute the Dijkgraaf–Witten invariants of surfaces in terms of projective representations of groups. As an application we prove that the complex Dijkgraaf–Witten invariants of surfaces of positive genus are positive integers.     

Point approximation of a space-homogeneous transport equation

Summary We present an approximation method of a space-homogeneous transport equation which we prove is convergent. The method is very promising for numerical computation. Comparison of a numerical computation with an exact solution is given for the Master equation.     

The Popescu-Gabriel theorem for triangulated categories

The Popescu-Gabriel theorem states that each Grothendieck abelian category is a localization of a module category. In this paper, we prove an analogue where Grothendieck abelian categories are replaced by triangulated categories which are well generated (in the sense of Neeman) and algebraic (in the sense of Keller). The role of module categories is played by derived categories of small differential graded categories. An analogous result for topological triangulated categories has recently been obtained by A. Heider.     

Malliavin's theorem for weak synthesis on nonabelian groups

Malliavin's celebrated theorem on the failure of spectral synthesis for the Fourier algebra A(G) on nondiscrete abelian groups was strengthened to give failure of weak synthesis by Parthasarathy and Varma. We extend this to nonabelian groups by proving that weak synthesis holds for A(G) if and only if G is discrete. We give the injection theorem and the inverse projection theorem for weak X-spectral synthesis, as well as a condition for the union of two weak X-spectral sets to be weak X-spectral for an A(G)-submodule X of VN(G). Relations between weak X-synthesis in A(G) and A(G×G) and the Varopoulos algebra V(G) are explored. The concept of operator synthesis was introduced by Arveson. We extend several recent investigations on operator synthesis by defining and studying, for a V^∞(G)-submodule M of B(L²(G)), sets of weak M-operator synthesis. Relations between X-Ditkin sets and M-operator Ditkin sets and between weak X-spectral synthesis and weak M-operator synthesis are explored.     

Fodor-type Reflection Principle and reflection of metrizability and meta-Lindelöfness

We introduce a new reflection principle which we call “Fodor-type Reflection Principle” (FRP). This principle follows from but is strictly weaker than Fleissner's Axiom R. For instance, FRP does not impose any restriction on the size of the continuum, while Axiom R implies that the continuum has size ?ℵ₂.We show that FRP implies that every locally separable countably tight topological space X is meta-Lindelöf if all of its subspaces of cardinality ?ℵ₁ are (Theorem 4.3). It follows that, under FRP, every locally (countably) compact space is metrizable if all of its subspaces of cardinality ?ℵ₁ are (Corollary 4.4). This improves a result of Balogh who proved the same assertion under Axiom R.We also give several other results in this vein, some in ZFC, others in some further extension of ZFC. For example, we prove in ZFC that if X is a locally (countably) compact space of singular cardinality in which every subspace of smaller size is metrizable then X itself is also metrizable (Corollary 5.2).     

Completeness for flat modal fixpoint logics

This paper exhibits a general and uniform method to prove axiomatic completeness for certain modal fixpoint logics. Given a set Γ of modal formulas of the form γ(x,p₁,…,p_n), where x occurs only positively in γ, we obtain the flat modal fixpoint language L_?(Γ) by adding to the language of polymodal logic a connective ?_γ for each γ∈Γ. The term ?_γ(φ₁,…,φ_n) is meant to be interpreted as the least fixed point of the functional interpretation of the term γ(x,φ₁,…,φ_n). We consider the following problem: given Γ, construct an axiom system which is sound and complete with respect to the concrete interpretation of the language L_?(Γ) on Kripke structures. We prove two results that solve this problem.First, let be the logic obtained from the basic polymodal by adding a Kozen-Park style fixpoint axiom and a least fixpoint rule, for each fixpoint connective ?_γ. Provided that each indexing formula γ satisfies a certain syntactic criterion, we prove this axiom system to be complete.Second, addressing the general case, we prove the soundness and completeness of an extension of . This extension is obtained via an effective procedure that, given an indexing formula γ as input, returns a finite set of axioms and derivation rules for ?_γ, of size bounded by the length of γ. Thus the axiom system is finite whenever Γ is finite.     

The multiplicity of solutions for perturbed second-order Hamiltonian systems with impulsive effects

In this paper, we study the existence of multiple solutions for a class of second-order impulsive Hamiltonian systems. We give some new criteria for guaranteeing that the impulsive Hamiltonian systems with a perturbed term have at least three solutions by using a variational method and some critical points theorems of B. Ricceri. We extend and improve on some recent results. Finally, some examples are presented to illustrate our main results.