Resolving the structure of TiBe12_{12}

There has been considerable controversy regarding the structure of TiBe$_{12}$, which is variously reported as hexagonal and tetragonal. Lattice dynamics simulations based on density functional theory show the tetragonal phase space group $I4/mmm$ to be more stable over all temperatures, while the hexagonal phase exhibits an imaginary phonon mode, which, if followed, would lead to the cell adopting the tetragonal structure. We then report the predicted ground state elastic constants and temperature dependence of the bulk modulus and thermal expansion for the tetragonal phase.Comment: In press at Acta Crystallographica B. Supplementary material appende

Hydrogen solubility in zirconium intermetallic second phase particles

The enthalpies of solution of H in Zr binary intermetallic compounds formed with Cu, Cr, Fe, Mo, Ni, Nb, Sn and V were calculated by means of density functional theory simulations and compared to that of H in {\alpha}-Zr. It is predicted that all Zr-rich phases (formed with Cu, Fe, Ni and Sn), and those phases formed with Nb and V, offer lower energy, more stable sites for H than {\alpha}-Zr. Conversely, Mo and Cr containing phases do not provide preferential solution sites for H. In all cases the most stable site for H are those that offer the highest coordination fraction of Zr atoms. Often these are four Zr tetrahedra but not always. Implications with respect to H-trapping properties of commonly observed ternary phases such as Zr(Cr,Fe)2, Zr2(Fe,Ni) and Zr(Nb,Fe)2 are also discussed.Comment: manuscript accepted for publication in Journal of Nuclear Materials (2013

PREMATURE SHUT OFF POSSIBILITY PREDICTION FOR AUTOMOTIVE FUEL TANK SYSTEM

Prediction of the possibility of a vehicle fuel tank supply process prematureshut off is of main concern for the automotive industry. The main objectiveof this work is to show that premature shut off can be explained by the absenceof a steady state after the initial transient in the fuel supply process. Thevehicle fuel tank considered in this work is composed only of a rectilinearpipe inclined with respect to the horizontal and connected to the top of arectangular tank. The counter-current two-phase flow in the pipe is modeledusing the one-dimensional drift flux model and the tankis modeled as a control volume where mass conservation for each phase isconsidered. Linear stability analysis of the two-phase flow model shows theabsence of the steady state phase for a range of liquid flow rates before theflooding condition is achieved as a function of tube inclination and length.This fact suggests that premature shut off occurs due to the absence of asteady state regime phase during the fuel supply process

From solid solution to cluster formation of Fe and Cr in α\alpha-Zr

To understand the mechanisms by which Fe and Cr additions increase the corrosion rate of irradiated Zr alloys, a combination of experimental (atom probe tomography, x-ray diffraction and thermoelectric power measurements) and modelling (density functional theory) techniques are employed to investigate the non-equilibrium solubility and clustering of Fe and Cr in binary Zr alloys. Cr occupies both interstitial and substitutional sites in the {\alpha}-Zr lattice, Fe favours interstitial sites, and a low-symmetry site that was not previously modelled is found to be the most favourable for Fe. Lattice expansion as a function of alloying concentration (in the dilute regime) is strongly anisotropic for Fe additions, expanding the $c$-axis while contracting the $a$-axis. Defect clusters are observed at higher solution concentrations, which induce a smaller amount of lattice strain compared to the dilute defects. In the presence of a Zr vacancy, all two-atom clusters are more soluble than individual point defects and as many as four Fe or three Cr atoms could be accommodated in a single Zr vacancy. The Zr vacancy is critical for the increased solubility of defect clusters, the implications for irradiation induced microstructure changes in Zr alloys are discussed.Comment: 15 pages including figure, 9 figures, 2 tables. Submitted for publication in Acta Mater, Journal of Nuclear Materials (2015

The dynamics of grouping-induced biases in apparent numerosity revealed by a continuous tracking technique

Connecting pairs of items causes robust underestimation of the numerosity of an ensemble, presumably by invoking grouping mechanisms. Here we asked whether this underestimation in numerosity judgments could be revealed and further explored by continuous tracking, a newly developed technique that allows for fast and efficient data acquisition and monitors the dynamics of the responses. Participants continuously reproduced the perceived numerosity of a cloud of dots by moving a cursor along a number line, while the number of dots and the proportion connected by lines varied over time following two independent random walks. The technique was robust and efficient, and correlated well with results obtained with a standard psychophysics task. Connecting objects with lines caused an underestimation of approximately 15% during tracking, agreeing with previous studies. The response to the lines was slower than the response to the physical numerosity, with a delay of approximately 150 ms, suggesting that this extra time is necessary for processing the grouping effect

Fast saccadic eye-movements in humans suggest that numerosity perception is automatic and direct

Fast saccades are rapid automatic oculomotor responses to salient and ecologically important visual stimuli such as animals and faces. Discriminating the number of friends, foe, or prey may also have an evolutionary advantage. In this study, participants were asked to saccade rapidly towards the more numerous of two arrays. Participants could discriminate numerosities with high accuracy and great speed, as fast as 190 ms. Intermediate numerosities were more likely to elicit fast saccades than very low or very high numerosities. Reaction-times for vocal responses (collected in a separate experiment) were slower, did not depend on numerical range, and correlated only with the slow not the fast saccades, pointing to different systems. The short saccadic reaction-times we observe are surprising given that discrimination using numerosity estimation is thought to require a relatively complex neural circuit, with several relays of information through the parietal and prefrontal cortex. Our results suggest that fast numerosity-driven saccades may be generated on a single feed-forward pass of information recruiting a primitive system that cuts through the cortical hierarchy and rapidly transforms the numerosity information into a saccade command

Mitochondrial DNA Heteroplasmy and Purifying Selection in the Mammalian Female Germ Line.

Inherited mutations in the mitochondrial (mt)DNA are a major cause of human disease, with approximately 1 in 5000 people affected by one of the hundreds of identified pathogenic mtDNA point mutations or deletions. Due to the severe, and often untreatable, symptoms of many mitochondrial diseases, identifying how these mutations are inherited from one generation to the next has been an area of intense research in recent years. Despite large advances in our understanding of this complex process, many questions remain unanswered, with one of the most hotly debated being whether or not purifying selection acts against pathogenic mutations during germline development