scholarly journals Polynomials for crystal frameworks and the rigid unit mode spectrum

Author(s):  
S. C. Power

To each discrete translationally periodic bar-joint framework in , we associate a matrix-valued function defined on the d -torus. The rigid unit mode (RUM) spectrum of is defined in terms of the multi-phases of phase-periodic infinitesimal flexes and is shown to correspond to the singular points of the function and also to the set of wavevectors of harmonic excitations which have vanishing energy in the long wavelength limit. To a crystal framework in Maxwell counting equilibrium, which corresponds to being square, the determinant of gives rise to a unique multi-variable polynomial . For ideal zeolites, the algebraic variety of zeros of on the d -torus coincides with the RUM spectrum. The matrix function is related to other aspects of idealized framework rigidity and flexibility, and in particular leads to an explicit formula for the number of supercell-periodic floppy modes. In the case of certain zeolite frameworks in dimensions two and three, direct proofs are given to show the maximal floppy mode property (order N ). In particular, this is the case for the cubic symmetry sodalite framework and some other idealized zeolites.

2018 ◽  
Vol 26 (15) ◽  
pp. 19637 ◽  
Author(s):  
Bo Li ◽  
Mengran Wang ◽  
Kriti Charan ◽  
Ming-jun Li ◽  
Chris Xu

2008 ◽  
Vol 34 (2) ◽  
pp. 97-99 ◽  
Author(s):  
K. E. Bobrov ◽  
G. Sh. Boltachev ◽  
N. M. Zubarev ◽  
O. V. Zubareva

BIBECHANA ◽  
2015 ◽  
Vol 13 ◽  
pp. 100-113 ◽  
Author(s):  
SK Yadav ◽  
LN Jha ◽  
D Adhikari

Thermodynamic properties, such as free energy of mixing, heat of mixing, entropy of mixing, activities and the microscopic structural properties, such as concentration fluctuation in long-wavelength limit and chemical short-range order parameter of Pb-Tl liquid alloy at 773 K have been studied on the basis of regular associated solution model. We have estimated the mole fractions of the complex and the unassociated atoms assuming the existence of  complex as energetically favoured in the liquid state. The compositional contributions of the heat of mixing of the species Pb and Tl and the heat of formation of the compound to the net enthalpy change have also been studied. The transport properties such as, viscosity and the ratio of mutual and intrinsic coefficients have been studied using different approaches. The surface concentration of Tl atoms has been computed and it has been employed to calculate the surface tension of Pb-Tl liquid alloy. Both the theoretical and the experimental values of the concentration fluctuation in long-wavelength limit are found to be less than the ideal value, revealing that the concerned system is hetero-coordinating in nature. The interaction energies are found to be temperature dependent and respective alloy is found to be weakly interacting system. BIBECHANA 13 (2016) 100-113


1999 ◽  
Vol 39 (1-2) ◽  
pp. 77-80 ◽  
Author(s):  
H. Reinholz ◽  
R. Redmer ◽  
G. Röpke ◽  
A. Wierling

2014 ◽  
Vol 51 (3) ◽  
pp. 640-656 ◽  
Author(s):  
Alessandro Gnoatto ◽  
Martino Grasselli

We derive the explicit formula for the joint Laplace transform of the Wishart process and its time integral, which extends the original approach of Bru (1991). We compare our methodology with the alternative results given by the variation-of-constants method, the linearization of the matrix Riccati ordinary differential equation, and the Runge-Kutta algorithm. The new formula turns out to be fast and accurate.


Sign in / Sign up

Export Citation Format

Share Document