Structures and syntheses of layered and framework amine-bearing uranyl phosphate and uranyl arsenates

Two hydrated uranyl arsenates and a uranyl phosphate were synthesized by hydrothermal methods in the presence of amine structure-directing agents and their structures determined: (N₂C₆H₁₄)[(UO₂)(AsO₄)]₂(H₂O)₃, DabcoUAs, {NH(C₂H₅)₃}[(UO₂)₂(AsO₄)(AsO₃OH)], TriethUAs, and (N₂C₄H₁₂)(UO₂)[(UO₂)(PO₄)]₄(H₂O)₂, PiperUP. Intensity data were collected at room temperature using MoKα X-radiation and a CCD-based area detector. The crystal structures were refined by full-matrix least-squares techniques on the basis of F² to agreement indices (DabcoUAs, TriethUAs, PiperUP) wR₂=5.6%, 8.3%, 7.2% for all data, and R₁=2.9%, 3.3%, 4.0%, calculated for 1777, 5822, 9119 unique observed reflections (|F_o|?4σ_F), respectively. DabcoUAs is monoclinic, space group C2/m, Z=2, a=18.581(1), b=7.1897(4), c=7.1909(4) Å, β=102.886(1)°, V=936.43(9) Å³, D_calc=3.50 g/cm³. TriethUAs is monoclinic, space group P2₁/n, Z=4, a=9.6359(4), b=18.4678(7), c=10.0708(4) Å, β=92.282(1)°, V=1790.7(1) Å³, D_calc=3.41 g/cm³. PiperUP is monoclinic, space group Pn, Z=2, a=9.3278(4), b=15.5529(7), c=9.6474(5) Å, β=93.266(1)°, V=1397.3(1) Å³, D_calc=4.41 g/cm³. The structure of DabcoUAs contains the autunite-type sheet formed by the sharing of vertices between uranyl square bipyramids and arsenate tetrahedra. The triethylenediammonium cations are located in the interlayer along with two H₂O groups and are disordered. Both TriethUAs and PiperUP contain sheets formed of uranyl pentagonal bipyramids and tetrahedra (arsenate and phosphate, respectively) with the uranophane sheet-anion topology. In TriethUAs, triethlyammonium cations are located in the interlayer. In PiperUP, the sheets are connected by a uranyl pentagonal bipyramid that shares corners with phosphate tetrahedra of adjacent sheets, resulting in a framework with piperazinium cations and H₂O groups in the cavities of the structure.     

Finite-Part Integrals and Modified Splines

We first state a uniform convergence theorem for finite-part integrals which are derivatives of weighted Cauchy principal value integrals. We then give a two-stage process to modify approximating splines and optimal nodal splines in such a way that the conditions of this theorem are satisfied. Consequently, these modified splines can be used in the numerical evaluation of these finite-part integrals.     

Searching for new conditions for fermion N-representability

New elements of the dual cone of the set of fermion N-representable 2-density operators are proposed. So far, the explicit form of the corresponding necessary conditions for N-representability is obtained for N = 3. In this case the new condition is stronger than the known B- and C-conditions for 3-representability. The results provide evidence that in the spectral decomposition of the N-representable 2-density operator there exists an intrinsic relation between the eigenvalue and the corresponding eigenfunction.     

Modifications of the Wolfe Line Search Rules to Satisfy Second-Order Optimally Conditions in Unconstrained Optimization

The line search method incorporating the Wolfe conditions is modified to ensure that a descent algorithm terminates in a finite number of steps at an approximate stationary point where the second-order conditions of optimality are satisfied. A simple procedure based on conjugate directions is proposed to determine directions of negative curvature.     

CONE-DIRECTED CONTINGENT DERIVATIVES AND GENERALIZED PREINVEX SET-VALUED OPTIMIZATION

By using cone-directed contingent derivatives, the unified necessary and suffi-cient optimality conditions are given for weakly and strongly minimal elements respectively in generalized preinvex set valued optimization.     

Contingent epiderivatives and set-valued optimization

In this paper we introduce the concept of the contingent epiderivative for a set-valued map which modifies a notion introduced by Aubin [2] as upper contingent derivative. It is shown that this kind of a derivative has important properties and is one possible generalization of directional derivatives in the single-valued convex case. For optimization problems with a set-valued objective function optimality conditions based on the concept of the contingent epiderivative are proved which are necessary and sufficient under suitable assumptions.     

THE BLOW-UP PROPERLIES OF SOLUTIONS TO SEMILINEAR HEAT EQUATIONS WITH NEUMANN BOUNDARY CONDITIONS

1IntroductionInthispaper,weconsidertheinitial-boundaryvalueproblem,where"o(x)isnon-negativesmoothfunctionsatisfying"o.(0)=0,"o.(1)=1'Whenconsideringtheblow-upofsolution,thefollowingproblemarisenaturally:Doesblow-upoccur?Howdoesthesolutionapproachtheblow-uptime'!Andwilersisthehotspotlocated(blow-upset)?WelookattheheatequationwithanonlillearboundaryconditiollHerefiisaboundeddomaininR",p>1isarealnumber.IthasbeenknownforalongtimethattheDroblelil(1.1).(1.2)withAL(~,0)--'no(x)doesnothaveaglobals…     

关于多目标数学规划的最优性条件

本文讨论定义于Ｂａｎａｃｈ空间的多目标数学规划，得到一些ε－最优解和（弱）有效解的必要条件，充分条件和必要充分条件。     

Helmholtz potentiality conditions for systems of difference-differential equations

For operators corresponding to systems ofμth-order difference-differential equations of neutral type, necessary and sufficient conditions for potentiality with respect to the classical bilinear form are obtained. These results are applied to first-order quasilinear systems. Translated fromMatematicheskie Zametki, Vol. 64, No. 3, pp. 437–442, September, 1998. The author wishes to express his thanks to V. M. Savchin for fruitful discussions and useful remarks.     

Testing Extreme Value Conditions

A test statistic is developed that checks the validity of the extreme value conditions without specifiying the shape parameter of the limiting extreme value distribution.