Totally unimodular nets.

IF 1.8 4区 材料科学
Acta Crystallographica Section A Pub Date : 2012-03-01 Epub Date: 2012-02-16 DOI:10.1107/S0108767312000062
Jean-Guillaume Eon, Davide M Proserpio, Vladislav A Blatov
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引用次数: 2

Abstract

p-Periodic nets can be derived from a voltage graph G with voltages in Z(p), the free abelian group of rank p, if the cyclomatic number γ of G is larger than p. Equivalently, one may describe a net by providing a set of (γ - p) cycle vectors of G forming a basis of the subspace of the cycle space of G with zero net voltage. Let M be the matrix of this basis expressed in the edge basis of the 1-chain space of G. A net is called totally unimodular whenever every sub-determinant of M belongs to the set {-1, 0, 1}. Only a finite set of totally unimodular nets can be derived from some finite graph. It is shown that totally unimodular nets are stable under the operation of edge-lattice deletion in a sense that makes them comparable to minimal nets. An algorithm for the complete determination of totally unimodular nets derived from some finite graph is presented. As an application, the full list of totally unimodular nets derived from graphs of cyclomatic numbers 3 and 4, without bridges, is given. It is shown that many totally unimodular nets frequently occur in crystal structures.

完全单元化的网络。
如果G的圈数γ大于p,则p-周期网络可以由电压在秩为p的自由阿贝尔群Z(p)中的电压图G导出。等价地,可以通过提供G的一组(γ - p)循环向量来描述网络,这些循环向量构成了净电压为零的G的循环空间的一个子空间的基。设M是这个基在g的1链空间的边基中表示的矩阵。当M的每个子行列式都属于集合{- 1,0,1}时,一个网被称为完全非模。从有限图中只能得到一个有限的完全非模网集。结果表明,完全非模网在边格删除操作下是稳定的,在某种意义上可以与最小网相媲美。给出了一种由有限图导出的完全非模网的完全确定算法。作为应用,给出了由圈数3和圈数4图导出的不带桥的全非模网的完整列表。结果表明,晶体结构中经常出现许多完全非模网。
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来源期刊
自引率
11.10%
发文量
0
审稿时长
3 months
期刊介绍: Acta Crystallographica Section A: Foundations and Advances publishes articles reporting advances in the theory and practice of all areas of crystallography in the broadest sense. As well as traditional crystallography, this includes nanocrystals, metacrystals, amorphous materials, quasicrystals, synchrotron and XFEL studies, coherent scattering, diffraction imaging, time-resolved studies and the structure of strain and defects in materials. The journal has two parts, a rapid-publication Advances section and the traditional Foundations section. Articles for the Advances section are of particularly high value and impact. They receive expedited treatment and may be highlighted by an accompanying scientific commentary article and a press release. Further details are given in the November 2013 Editorial. The central themes of the journal are, on the one hand, experimental and theoretical studies of the properties and arrangements of atoms, ions and molecules in condensed matter, periodic, quasiperiodic or amorphous, ideal or real, and, on the other, the theoretical and experimental aspects of the various methods to determine these properties and arrangements.
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