Predication at the interface

We try to show that predication plays a greater role in syntax than commonly assumed. Specifically, we wil argue that predication to a large extent determines both the phrase structure of clauses and trigger syntactic processes that take place in clauses. If we are on the right path, this implies that syntax is basically semantically driven, given that predication is semantically construed

Weld sequence optimization: the use of surrogate models for solving sequential combinatorial problems

The solution of combinatorial optimization problems usually involves the consideration of many possible design configurations. This often makes such approaches computationally expensive, especially when dealing with complex finite element models. Here a surrogate model is proposed that can be used to reduce substantially the computational expense of sequential combinatorial finite element problems. The model is illustrated by application to a weld path planning problem

Numerical studies of the scattering of light from a two-dimensional randomly rough interface between two dielectric media

The scattering of polarized light incident from one dielectric medium on its two-dimensional randomly rough interface with a second dielectric medium is studied. A reduced Rayleigh equation for the scattering amplitudes is derived for the case where p- or s-polarized light is incident on this interface, with no assumptions being made regarding the dielectric functions of the media. Rigorous, purely numerical, nonperturbative solutions of this equation are obtained. They are used to calculate the reflectivity and reflectance of the interface, the mean differential reflection coefficient, and the full angular distribution of the intensity of the scattered light. These results are obtained for both the case where the medium of incidence is the optically less dense medium, and in the case where it is the optically more dense medium. Optical analogues of the Yoneda peaks observed in the scattering of x-rays from metal surfaces are present in the results obtained in the latter case. Brewster scattering angles for diffuse scattering are investigated, reminiscent of the Brewster angle for flat-interface reflection, but strongly dependent on the angle of incidence. When the contribution from the transmitted field is added to that from the scattered field it is found that the results of these calculations satisfy unitarity with an error smaller than $10^{-4}$.Comment: 25 pages, 14 figure

Strain controlled oxygen vacancy formation and ordering in CaMnO3_3

We use first-principles calculations to investigate the stability of bi-axially strained \textit{Pnma} perovskite CaMnO$_3$ towards the formation of oxygen vacancies. Our motivation is provided by promising indications that novel material properties can be engineered by application of strain through coherent heteroepitaxy in thin films. While it is usually assumed that such epitaxial strain is accommodated primarily by changes in intrinsic lattice constants, point defect formation is also a likely strain relaxation mechanism. This is particularly true at the large strain magnitudes ($>$4%) which first-principles calculations often suggest are required to induce new functionalities. We find a strong dependence of oxygen vacancy defect formation energy on strain, with tensile strain lowering the formation energy consistent with the increasing molar volume with increasing oxygen deficiency. In addition, we find that strain differentiates the formation energy for different lattice sites, suggesting its use as a route to engineering vacancy ordering in epitaxial thin films.Comment: 7 pages, 7 figure

The DNA-binding domain of human papillomavirus type 18 E1. Crystal structure, dimerization, and DNA binding

High risk types of human papillomavirus, such as type 18 (HPV-18), cause cervical carcinoma, one of the most frequent causes of cancer death in women worldwide. DNA replication is one of the central processes in viral maintenance, and the machinery involved is an excellent target for the design of antiviral therapy. The papillomaviral DNA replication initiation protein E1 has origin recognition and ATP-dependent DNA melting and helicase activities, and it consists of a DNA-binding domain and an ATPase/helicase domain. While monomeric in solution, E1 binds DNA as a dimer. Dimerization occurs via an interaction of hydrophobic residues on a single alpha-helix of each monomer. Here we present the crystal structure of the monomeric HPV-18 E1 DNA-binding domain refined to 1.8-A resolution. The structure reveals that the dimerization helix is significantly different from that of bovine papillomavirus type 1 (BPV-1). However, we demonstrate that the analogous residues required for E1 dimerization in BPV-1 and the low risk HPV-11 are also required for HPV-18 E1. We also present evidence that the HPV-18 E1 DNA-binding domain does not share the same nucleotide and amino acid requirements for specific DNA recognition as BPV-1 and HPV-11 E1