A tetrahedral curve is an unmixed, usually non-reduced, one-dimensional subscheme of projective 3-space whose homogeneous ideal is the intersection of powers of the ideals of the six coordinate lines. The second and third authors have shown that these curves have very nice combinatorial properties, and they have made a careful study of the even liaison classes of these curves. We build on this ...

A cut-cell adaptive method is presented for high-order discontinuous Galerkin discretizations in two and three dimensions. The computational mesh is constructed by cutting a curved geometry out of a simplex background mesh that does not conform to the geometry boundary. The geometry is represented with cubic splines in two dimensions and with a tesselation of quadratic patches in three dimensio...

MCBEND 11 is the latest version of the general radiation transport Monte Carlo code from AMEC’s ANSWERS Software Service. MCBEND is well-established in the UK shielding community for radiation shielding and dosimetry assessments. Many important developments have been made available to users in this latest release of MCBEND, some of which are described in this paper, including: Geometry Modellin...

We present a robust and automatic method to generate an idealized surface geometry of a city landscape ready to be meshed for computer simulations. The city geometry is idealized for non viscous flow simulations and targets two main geometrical features: the topography and the city blocks. The procedure is fully automatic and demands no human interaction given the following source data: the cit...

The main goal of this project is to develop a parallel tetrahedral mesh generator based on existing sequential mesh generation software. As sequential mesh generation software, the Netgen mesh generator was used due to its availability as LGPL open source software and its wide user base. Parallel mesh generation routines were developed using the MPI libraries and the C++ language. The parallel ...

In view of unique physico-chemical observations affecting the geometry and various properties substituted thiourea complexes in literature along with several biological activities, N-(hydroxy)-N,N-diphenyl was taken up for study. Complexes geometries high spin octahedral iron(II), cobalt(II); tetrahedral & square planar nickel(II); dimeric copper chloride, perchlorate, acetate distorted nit...

A novel phenoxo-bridged zinc complex, [Zn2(L)µ(O-O)2H2OCl2] [L= deprotonated salen ligand, 2,2?-((1E,1?E)-((2,2-dimethylpropane-1,3-diyl)bis(azaneylylidene))bis(methaneylylidene))diphenol), was reported. The title complex characterized by elemental analyses, single crystal X-ray crystallography, spectroscopic studies, and thermogravimetric analysis. structure analysis reveals the coordination o...

The structure of inositol monophosphatase has been determined to 2.60 A resolution in complexes with Mn2+ and with Mn2+ and phosphate. In the Mn2+ complex, three metal cations and one Cl were bound in the active site on each of the two subunits of the enzyme. Ligands to the three metals include the side chains of Glu 70, Asp 90, Asp 93, and Asp 220, t he carbonyl group of Ile 92, several solven...

Infrared multiple-photon dissociation (IR-MPD) spectroscopy has been applied to singly-charged complexes involving the transition metals Ag(+) and Zn(2+) with the aromatic amino acid phenylalanine. These studies are complemented by DFT calculations. For [Phe+Ag](+) the calculations favor a tridentate charge solvation N/O/ring structure. The experimental spectrum strongly supports this as the pr...

Low stacking fault energy face centered cubic (FCC) materials contain characteristic defect structures. Stacking fault tetrahedral are one of those rare structures that occur under special experimental conditions. For the first time, stacking fault tetrahedral were observed in Fe-30Mn-3Al-3Si twinning induced plasticity (TWIP) steel. Their presence resulted from a quenching heat treatment.