Preliminary fracture analysis of the core pressure boundary tube for the Advanced Neutron Source Research Reactor

The outer core pressure boundary tube (CPBT) of the Advanced neutron Source (ANS) reactor being designed at Oak Ridge National Laboratory is currently specified as being composed of 6061-T6 aluminum. ASME Boiler and Pressure Vessel Code fracture analysis rules for nuclear components are based on the use of ferritic steels; the expressions, tables, charts and equations were all developed from tests and analyses conducted for ferritic steels. Because of the nature of the Code, design with thin aluminum requires analytical approaches that do not directly follow the Code. The intent of this report is to present a methodology comparable to the ASME Code for ensuring the prevention of nonductile fracture of the CPBT in the ANS reactor. 6061-T6 aluminum is known to be a relatively brittle material; the linear elastic fracture mechanics (LEFM) approach is utilized to determine allowable flaw sizes for the CPBT. A J-analysis following the procedure developed by the Electric Power Research Institute was conducted as a check; the results matched those for the LEFM analysis for the cases analyzed. Since 6061-T6 is known to embrittle when irradiated, the reduction in K{sub Q} due to irradiation is considered in the analysis. In anticipation of probable requirements regarding maximum allowable flaw size, a survey of nondestructive inspection capabilities is also presented. A discussion of probabilistic fracture mechanics approaches, principally Monte Carlo techniques, is included in this report as an introduction to what quantifying the probability of nonductile failure of the CPBT may entail

Deducing correlation parameters from optical conductivity in the Bechgaard salts

Numerical calculations of the kinetic energy of various extensions of the one-dimensional Hubbard model including dimerization and repulsion between nearest neighbours are reported. Using the sum rule that relates the kinetic energy to the integral of the optical conductivity, one can determine which parameters are consistent with the reduction of the infrared oscillator strength that has been observed in the Bechgaard salts. This leads to improved estimates of the correlation parameters for both the TMTSF and TMTTF series.Comment: 12 pages, latex, figures available from the author

Theory of band gap bowing of disordered substitutional II-VI and III-V semiconductor alloys

For a wide class of technologically relevant compound III-V and II-VI semiconductor materials AC and BC mixed crystals (alloys) of the type A(x)B(1-x)C can be realized. As the electronic properties like the bulk band gap vary continuously with x, any band gap in between that of the pure AC and BC systems can be obtained by choosing the appropriate concentration x, granted that the respective ratio is miscible and thermodynamically stable. In most cases the band gap does not vary linearly with x, but a pronounced bowing behavior as a function of the concentration is observed. In this paper we show that the electronic properties of such A(x)B(1-x)C semiconductors and, in particular, the band gap bowing can well be described and understood starting from empirical tight binding models for the pure AC and BC systems. The electronic properties of the A(x)B(1-x)C system can be described by choosing the tight-binding parameters of the AC or BC system with probabilities x and 1-x, respectively. We demonstrate this by exact diagonalization of finite but large supercells and by means of calculations within the established coherent potential approximation (CPA). We apply this treatment to the II-VI system Cd(x)Zn(1-x)Se, to the III-V system In(x)Ga(1-x)As and to the III-nitride system Ga(x)Al(1-x)N.Comment: 14 pages, 10 figure

Charge-density waves in the Hubbard chain: evidence for 4k_F instability

Charge density waves in the Hubbard chain are studied by means of finite-temperature Quantum Monte Carlo simulations and Lanczos diagonalizations for the ground state. We present results both for the charge susceptibilities and for the charge structure factor at densities \rho=1/6 and 1/3; for \rho=1/2 (quarter filled) we only present results for the charge structure factor. The data are consistent with a 4k_F instability dominating over the 2k_F one, at least for sufficiently large values of the Coulomb repulsion, U. This can only be reconciled with the Luttinger liquid analyses if the amplitude of the 2k_F contribution vanishes above some U^*(\rho).Comment: RevTeX, 4 two-column pages with 7 colour figures embedded in tex

Multiband tight-binding theory of disordered ABC semiconductor quantum dots: Application to the optical properties of alloyed CdZnSe nanocrystals

Zero-dimensional nanocrystals, as obtained by chemical synthesis, offer a broad range of applications, as their spectrum and thus their excitation gap can be tailored by variation of their size. Additionally, nanocrystals of the type ABC can be realized by alloying of two pure compound semiconductor materials AC and BC, which allows for a continuous tuning of their absorption and emission spectrum with the concentration x. We use the single-particle energies and wave functions calculated from a multiband sp^3 empirical tight-binding model in combination with the configuration interaction scheme to calculate the optical properties of CdZnSe nanocrystals with a spherical shape. In contrast to common mean-field approaches like the virtual crystal approximation (VCA), we treat the disorder on a microscopic level by taking into account a finite number of realizations for each size and concentration. We then compare the results for the optical properties with recent experimental data and calculate the optical bowing coefficient for further sizes

Charge and spin order in one-dimensional electron systems with long-range Coulomb interactions

We study a system of electrons interacting through long--range Coulomb forces on a one--dimensional lattice, by means of a variational ansatz which is the strong--coupling counterpart of the Gutzwiller wave function. Our aim is to describe the quantum analogue of Hubbard's classical ``generalized Wigner crystal''. We first analyse charge ordering in a system of spinless fermions, with particular attention to the effects of lattice commensurability. We argue that for a general (rational) number of electrons per site $n$ there are three regimes, depending on the relative strength $V$ of the long--range Coulomb interaction (as compared to the hopping amplitude $t$). For very large $V$ the quantum ground state differs little from Hubbard's classical solution, for intermediate to large values of $V$ we recover essentially the Wigner crystal of the continuum model, and for small $V$ the charge modulation amounts to a small--amplitude charge--density wave. We then include the spin degrees of freedom and show that in the Wigner crystal regimes (i.e. for large $V$) they are coupled by an antiferromagnetic kinetic exchange $J$, which turns out to be smaller than the energy scale governing the charge degrees of freedom. Our results shed new light on the insulating phases of organic quasi--1D compounds where the long--range part of the interaction is unscreened, and magnetic and charge orderings coexist at low temperatures.Comment: 11 pages, 7 figures, accepted for publication on Phys. Rev.

Heart re-transplantation in Eurotransplant

Internationally 3% of the donor hearts are distributed to re-transplant patients. In Eurotransplant, only patients with a primary graft dysfunction (PGD) within 1 week after heart transplantation (HTX) are indicated for high urgency listing. The aim of this study is to provide evidence for the discussion on whether these patients should still be allocated with priority. All consecutive HTX performed in the period 1981-2015 were included. Multivariate Cox' model was built including: donor and recipient age and gender, ischaemia time, recipient diagnose, urgency status and era. The study population included 18 490 HTX, of these 463 (2.6%) were repeat transplants. The major indications for re-HTX were cardiac allograft vasculopathy (CAV) (50%), PGD (26%) and acute rejection (21%). In a multivariate model, compared with first HTX hazards ratio and 95% confidence interval for repeat HTX were 2.27 (1.83-2.82) for PGD, 2.24 (1.76-2.85) for acute rejection and 1.22 (1.00-1.48) for CAV (P < 0.0001). Outcome after cardiac re-HTX strongly depends on the indication for re-HTX with acceptable outcomes for CAV. In contrast, just 47.5% of all hearts transplanted in patients who were re-transplanted for PGD still functioned at 1-month post-transplant. Alternative options like VA-ECMO should be first offered before opting for acute re-transplantation

Size Doesn't Matter: Towards a More Inclusive Philosophy of Biology

notes: As the primary author, O’Malley drafted the paper, and gathered and analysed data (scientific papers and talks). Conceptual analysis was conducted by both authors.publication-status: Publishedtypes: ArticlePhilosophers of biology, along with everyone else, generally perceive life to fall into two broad categories, the microbes and macrobes, and then pay most of their attention to the latter. ‘Macrobe’ is the word we propose for larger life forms, and we use it as part of an argument for microbial equality. We suggest that taking more notice of microbes – the dominant life form on the planet, both now and throughout evolutionary history – will transform some of the philosophy of biology’s standard ideas on ontology, evolution, taxonomy and biodiversity. We set out a number of recent developments in microbiology – including biofilm formation, chemotaxis, quorum sensing and gene transfer – that highlight microbial capacities for cooperation and communication and break down conventional thinking that microbes are solely or primarily single-celled organisms. These insights also bring new perspectives to the levels of selection debate, as well as to discussions of the evolution and nature of multicellularity, and to neo-Darwinian understandings of evolutionary mechanisms. We show how these revisions lead to further complications for microbial classification and the philosophies of systematics and biodiversity. Incorporating microbial insights into the philosophy of biology will challenge many of its assumptions, but also give greater scope and depth to its investigations

On the origin and evolution of the material in 67P/Churyumov-Gerasimenko

International audiencePrimitive objects like comets hold important information on the material that formed our solar system. Several comets have been visited by spacecraft and many more have been observed through Earth- and space-based telescopes. Still our understanding remains limited. Molecular abundances in comets have been shown to be similar to interstellar ices and thus indicate that common processes and conditions were involved in their formation. The samples returned by the Stardust mission to comet Wild 2 showed that the bulk refractory material was processed by high temperatures in the vicinity of the early sun. The recent Rosetta mission acquired a wealth of new data on the composition of comet 67P/Churyumov-Gerasimenko (hereafter 67P/C-G) and complemented earlier observations of other comets. The isotopic, elemental, and molecular abundances of the volatile, semi-volatile, and refractory phases brought many new insights into the origin and processing of the incorporated material. The emerging picture after Rosetta is that at least part of the volatile material was formed before the solar system and that cometary nuclei agglomerated over a wide range of heliocentric distances, different from where they are found today. Deviations from bulk solar system abundances indicate that the material was not fully homogenized at the location of comet formation, despite the radial mixing implied by the Stardust results. Post-formation evolution of the material might play an important role, which further complicates the picture. This paper discusses these major findings of the Rosetta mission with respect to the origin of the material and puts them in the context of what we know from other comets and solar system objects