35 research outputs found

    Data files for ab initio calculations of the lattice parameter and elastic stiffness coefficients of bcc Fe with solutes

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    AbstractWe present computed datasets on changes in the lattice parameter and elastic stiffness coefficients of bcc Fe due to substitutional Al, B, Cu, Mn, and Si solutes, and octahedral interstitial C and N solutes. The data is calculated using the methodology based on density functional theory (DFT) presented in Ref. (M.R. Fellinger, L.G. Hector Jr., D.R. Trinkle, 2017) [1]. All the DFT calculations were performed using the Vienna Ab initio Simulations Package (VASP) (G. Kresse, J. Furthmüller, 1996) [2]. The data is stored in the NIST dSpace repository (http://hdl.handle.net/11256/671)

    Overview of fatigue life assessment of baffles in Wendelstein 7-X

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    Wendelstein 7-X (W7-X), the world's largest nuclear fusion experiment of modular stellarator type, started operation in 2015 and will be upgraded with a water cooled first wall for steady state operation in 2020. The first wall consists of a CFC armored island divertors, adjacent baffles, heat shields, and stainless steel wall panels. Baffle and heat shield segments consist of graphite tiles, bolted with low pre-stress onto heat sinks of CuCrZr that are in turn brazed onto water cooled steel pipes.Cracks were detected before installation in the baffles in the root of the brazed seam in over 100 locations. Such cracks are attributed to the imposed plastic deformation of the pipes to bring them into the final shape following the complex 3D geometry of the plasma vessel.This paper gives an overview of the experimental and numerical work using finite element method (FEM) and dual boundary element method (DBEM), including sub-modeling to assess the risk of a water leak during operation. Details of the numerical work is published in Giannella et al. (2017), Lepore et al. (2017) and Citarella et al. (2018).First fatigue crack growth experiments were carried out on pipe material and thermal-mechanical crack growth predictions were made with FEM and DBEM. It appeared that the Stress Intensity Factor (SIF) threshold of the ductile steel is only reached when large plastic strains occur, thus violating the field of application of linear elastic fracture mechanics to forecast crack growth.Afterwards, representative brazed pipe samples were manufactured and subjected to initial plastic deformation causing cracks in 11 out of 12 samples. Some samples were tested up to 60,000 bending load cycles. Two out of four samples failed after 35,000 cycles. Before and after the test, the shape of the cracks was measured using 3D computer tomography scans. Equivalence between thermal load in W7-X and the mechanical load in the cyclic test was determined with the numerical models to allow for a prediction of the fatigue life in W7X. Additional modeling showed that also plastic zones away from the cracks can limit the fatigue life

    Grain boundary free energy estimates in hard disk assemblies using thermodynamic integration

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    Includes bibliographical references (pages 65-68)

    Depletion of Uhrf1 inhibits chromosomal DNA replication in Xenopus egg extracts

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    UHRF1 (ubiquitin-like, containing PHD and RING finger domains 1) has a well-established role in epigenetic regulation through the recognition of various histone marks and interaction with chromatin-modifying proteins. However, its function in regulating cell cycle progression remains poorly understood and has been largely attributed to a role in transcriptional regulation. In this study we have used Xenopus laevis egg extracts to analyse Uhrf1 function in DNA replication in the absence of transcriptional influences. We demonstrate that removal of Uhrf1 inhibits chromosomal replication in this system. We further show that this requirement for Uhrf1, or an associated factor, occurs at an early stage of DNA replication and that the consequences of Uhrf1 depletion are not solely due to its role in loading Dnmt1 onto newly replicated DNA. We describe the pattern of Uhrf1 chromatin association before the initiation of DNA replication and show that this reflects functional requirements both before and after origin licensing. Our data demonstrate that the removal of Xenopus Uhrf1 influences the chromatin association of key replication proteins and reveal Uhrf1 as an important new factor required for metazoan DNA replication

    Setting up the speech production network : how oscillations contribute to lateralized information routing

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    Speech production involves widely distributed brain regions. This MEG study focuses on the spectro-temporal dynamics that contribute to the setup of this network. In 21 participants performing a cue-target reading paradigm, we analyzed local oscillations during preparation for overt and covert reading in the time-frequency domain and localized sources using beamforming. Network dynamics were studied by comparing different dynamic causal models of beta phase coupling in and between hemispheres. While a broadband low frequency effect was found for any task preparation in bilateral prefrontal cortices, preparation for overt speech production was specifically associated with left-lateralized alpha and beta suppression in temporal cortices and beta suppression in motor-related brain regions. Beta phase coupling in the entire speech production network was modulated by anticipation of overt reading. We propose that the processes underlying the setup of the speech production network connect relevant brain regions by means of beta synchronization and prepare the network for left-lateralized information routing by suppression of inhibitory alpha and beta oscillations

    Pre-stimulus alpha phase-alignment predicts P1-amplitude

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    AbstractSince years there is a hotly discussed dispute whether event-related potentials are either generated by an evoked component or by resetting of ongoing phase. We argue that phase-reset must not be proven in order to accept the general involvement of phase in ERP-generation as it is only one of several possible mechanisms influencing or generating certain ERP-components. Supporting data are presented showing that positive peaks of ongoing pre-stimulus alpha activity are not randomly distributed in time across trials. Most importantly, we found that a certain kind of pre-stimulus phase concentration that represents a continuous development of an alpha wave up to the time window where the P1 is generated is associated with an enlarged event-related component. We conclude that ongoing oscillations cannot be considered random background noise (even before stimulus onset) and that there are probably more phase-mechanisms that can contribute to the ERP-generation
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