Statistical geometry is employed for a quantitative description of deviations from regular octahedrality of water around monovalent ions and from regular tetrahedrality of solvent water around water molecules. For these deviations a new criterion is presented by taking into account octahedral and tetrahedral spatial symmetry groups. A geometrical definition of structure making and structure bre...

The ability to automatically morph an existing mesh to conform to geometry modifications is a necessary capability to enable rapid prototyping of design variations. This paper compares six methods for morphing hexahedral and tetrahedral meshes, including the previously published FEMWARP and LBWARP methods as well as four new methods. Element quality and performance results show that different m...

In this paper we propose a particle-based volume rendering approach for unstructured, three-dimensional, tetrahedral polygon meshes. We stochastically generate millions of particles per second and project them on the screen in real-time. In contrast to previous rendering techniques of tetrahedral volume meshes, our method does not need a prior depth sorting of geometry. Instead, the rendered im...

We describe a novel method for calculating the quasi-static electrical potential on tetrahedral meshes, which we call E-Field. The E-Field method is implemented in STEPS, which performs stochastic spatial reaction-diffusion computations in tetrahedral-based cellular geometry reconstructions. This provides a level of integration between electrical excitability and spatial molecular dynamics in r...

We study the aging of a glassy Lennard-Jones binary mixture with molecular dynamics simulations. We follow the evolution of the packing as a function of the system’s age tw, the time passed since the system is quenched to below its glass transition temperature. We focus on simple properties of all tetrahedra formed by the majority of particles. We find that both the averages and the distributio...

We computed the Raman spectrum of amorphous GeTe by ab initio simulations and empirical bond polarizability models. The calculated spectrum is in very good agreement with experimental data and contains the signatures of all the peculiar local structures of the amorphous phase revealed by recent ab initio simulations, namely, tetrahedral Ge and defective octahedral sites for a fraction of Ge (mo...

We present two subdivision schemes for the fair discretization of the spherical motion group. The first one is based on the subdivision of the 600-cell according to the tetrahedral/octahedral subdivision scheme of Schaefer, Hakenberg and Warren [Smooth Subdivision of Tetrahedral Meshes. Eurographics Symposium on Geometry Processing (R. Scopigno, D. Zorin, eds.), 151-158, 2004]. The second prese...

The new Mannich base VEP (N,N’-bis-(5,5’-diethyl-barbituryl-1-methyl)-piperazine), has been synthetized by condensation of veronal with formaldehyde and piperazine following a Mannich procedure. The new binuclear complex Cu2VEP(X)4·4H2O , X=ClO4where VEP stands for N,N’-bis-(5,5’-diethyl-barbituryl-1-methyl)-piperazine, were obtained by metal ligand direct synthesis. Tetrahedral geometry of the...

In open surgery simulations, cuts like incisions and resections introduce irreversible changes to underlying geometry. In such circumstances, updating tetrahedral meshes for sophisticated physical modeling methods like finite elements becomes computationally intensive. We present an algorithm that does not need to update every time there is an incision. It allows multiple incisions and only per...

Nanoparticles of a new dinuclear silver(I) complex [Ag2(PPh3)2(μ-S-4nb-tsc)2(η1-S-4nb-tsc)2](NO3)2, where 4nb-tsc = 4-nitrobenzylidenethiosemicarbazone and PPh3 = triphenylphosphine, were prepared in an ultrasonic bath and characterized by FT-IR and SEM. The crystal structure of a suitable single crystal prepared by slow evaporation was determined by single crystal X-ray diffraction. The compou...