Structure and Stability of an Amorphous Metal

Using molecular dynamics simulations, with a realistic many-body embedded-atom potential, and a novel method to characterize local order, we study the structure of pure nickel during the rapid quench of the liquid and in the resulting glass. In contrast with previous simulations with pair potentials, we find more crystalline order and fewer icosahedra for slower quenching rates, resulting in a glass less stable against crystallization. It is shown that there is not a specific amorphous structure, only the arrest of the transition from liquid to crystal, resulting in small crystalline clusters immersed in an amorphous matrix with the same structure of the liquid.Comment: 4 pages, 4 ps figs., to appear in Phys. Rev. Let

Structure and Dynamics of Liquid Iron under Earth's Core Conditions

First-principles molecular dynamics simulations based on density-functional theory and the projector augmented wave (PAW) technique have been used to study the structural and dynamical properties of liquid iron under Earth's core conditions. As evidence for the accuracy of the techniques, we present PAW results for a range of solid-state properties of low- and high-pressure iron, and compare them with experimental values and the results of other first-principles calculations. In the liquid-state simulations, we address particular effort to the study of finite-size effects, Brillouin-zone sampling and other sources of technical error. Results for the radial distribution function, the diffusion coefficient and the shear viscosity are presented for a wide range of thermodynamic states relevant to the Earth's core. Throughout this range, liquid iron is a close-packed simple liquid with a diffusion coefficient and viscosity similar to those of typical simple liquids under ambient conditions.Comment: 13 pages, 8 figure

Structural study of an amorphous NiZr2 alloy by anomalous wide angle X-ray scattering and Reverse Monte Carlo simulations

The local atomic structure of an amorphous NiZr2 alloy was investigated using the anomalous wide-angle x-ray scattering (AWAXS), differential anomalous scattering (DAS) and reverse Monte Carlo (RMC) simulations techniques. The AWAXS measurements were performed at eight different incident photon energies, including some close to the Ni and Zr K edges. From the measurements eight total structure factor S(K,E) were derived. Using the AWAXS data four differential structure factors DSFi(K,Em,En) were derived, two about the Ni and Zr edges. The partial structure factors SNi-Ni(K), SNi-Zr(K) and SZr-Zr(K) were estimated by using two different methods. First, the S(K,E) and DSFi(K,Em,En) factors were combined and used in a matrix inversion process. Second, three S(K,E) factors were used as input data in the RMC technique. The coordination numbers and interatomic distances for the first neighbors extracted from the partial structure factors obtained by these two methods show a good agreement. By using the three-dimensional structure derived from the RMC simulations, the bond-angle distributions were calculated and they suggest the presence of distorted triangular-faced polyhedral units in the amorphous NiZr2 structure. We have used the Warren chemical short-range order parameter to evaluate the chemical short-range order for the amorphous NiZr2 alloy and for the NiZr2 compound. The calculated values show that the chemical short-range order found in these two materials is similar to that found in a solid solution.Comment: Submitted to Phys. Rev. B, 8 figure

Geophysical and atmospheric evolution of habitable planets

The evolution of Earth-like habitable planets is a complex process that depends on the geodynamical and geophysical environments. In particular, it is necessary that plate tectonics remain active over billions of years. These geophysically active environments are strongly coupled to a planet's host star parameters, such as mass, luminosity and activity, orbit location of the habitable zone, and the planet's initial water inventory. Depending on the host star's radiation and particle flux evolution, the composition in the thermosphere, and the availability of an active magnetic dynamo, the atmospheres of Earth-like planets within their habitable zones are differently affected due to thermal and nonthermal escape processes. For some planets, strong atmospheric escape could even effect the stability of the atmosphere

Epitaxial overgrowth of II-VI compounds on patterned substrates

The selected area epitaxial overgrowth of narrow gap HgTe as well as wide gap CdTe and ZnTe on CdTe/GaAs substrates, which had been structured by dry etching techniques, has been investigated. A plasma etching process using a barrel reactor with CH$_4$-CH$_2$ gases has been employed to prepare stripes with a width of about 1 μm with anisotropic as well as isotropic etching profiles. It has been found, that the selected area HgTe overgrowth takes place with a high local selectivity to the low index planes of the patterned surface. In contrast, the selected area overgrowth of the wide gap CdTe and ZnTe is controlled by anisotropic growth kinetics provided that the substrate temperature is not lower than 220°C and the starting surface consists of well developed low index crystallographic planes

Inactivation of Influenza A virus, Adenovirus, and Cytomegalovirus with PAXgene Tissue Fixative and Formalin

Formalin fixation is known to inactivate most viruses in a vaccine production context, but nothing is published about virus activity in tissues treated with alternative, non-crosslinking fixatives. We used a model assay based on cell culture to test formalin and PAXgene Tissue fixative for their virus-inactivating abilities. MDCK, A549, and MRC-5 cells were infected with Influenza A virus, Adenovirus, and Cytomegalovirus, respectively. When 75% of the cells showed a cytopathic effect (CPE), the cells were harvested and incubated for 15min, or 1, 3, 6, or 24 hours, with PBS (positive control), 4% formalin, or PAXgene Tissue Fix. The cells were disrupted and the released virus was used to infect fresh MDCK, A549, and MRC-5 cells cultured on cover slips in 24-well plates. The viral cultures were monitored for CPE and by immunocytochemistry (ICC) to record viral replication and infectivity. Inactivation of Adenovirus by formalin occurred after 3h, while Influenza A virus as well as Cytomegalovirus were inactivated by formalin after 15min. All three virus strains were inactivated by PAXgene Tissue fixative after 15min. We conclude that PAXgene Tissue fixative is at least as effective as formalin in inactivating infectivity of Influenza A virus, Adenovirus, and Cytomegalovirus

The spatial distribution and frequency of street, plot and building types across five European cities

Typologies have always played an important role in urban planning and design practice and formal studies have been central to the field of urban morphology. These studies have predominantly been of a historical-qualitative nature and do not support quantitative comparisons between urban areas and between different cities, nor offer the precise and comprehensive descriptions needed by those engaged in urban planning and design practice. To describe contemporary urban forms, which are more diffuse and often elude previous historic typologies, systematic quantitative methods can be useful but, until recently, these have played a limited role in typo-morphological studies. This paper contributes to recent developments in this field by integrating multi-variable geometric descriptions with inter-scalar relational descriptions of urban form. It presents typologies for three key elements of urban form (streets, plots and buildings) in five European cities, produced using statistical clustering methods. In a first instance, the resulting typologies contribute to a better understanding of the characteristics of streets, plots and buildings. In particular, the results offer insight into patterns between the types (i.e. which types are found in combination and which not) and provide a new large scale comparative analysis across five European cities. To conclude, a link between quantitative analysis and theory is established, by testing two well-known theoretical propositions in urban morphology: the concept of the burgage cycle and the theory of natural movement