7,598 research outputs found

    Thermophysical properties and oxygen transport in (Thx,Pu1-x)O2

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    Using Molecular Dynamics, this paper investigates the thermophysical properties and oxygen transport of (Thx,Pu1−x)O2 (0 ≀ x ≀ 1) between 300-3500 K. In particular, the superionic transition is investigated and viewed via the thermal dependence of lattice parameter, linear thermal expansion coefficient, enthalpy and specific heat at constant pressure. Oxygen diffusivity and activation enthalpy are also investigated. Below the superionic temperature an increase of oxygen diffusivity for certain compositions of (Thx,Pu1−x)O2 compared to the pure end members is predicted. Oxygen defect formation enthalpies are also examined, as they underpin the superionic transition temperature and the increase in oxygen diffusivity. The increase in oxygen diffusivity for (Thx,Pu1−x)O2 is explained in terms of lower oxygen defect formation enthalpies for (Thx,Pu1−x)O2 than PuO2 and ThO2, while links are drawn between the superionic transition temperature and oxygen Frenkel disorder

    Crystal structure, thermodynamics, magnetics and disorder properties of Be-Fe-Al intermetallics

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    The elastic and magnetic properties, thermodynamical stability, deviation from stoichiometry and order/disorder transformations of phases that are relevant to Be alloys were investigated using density functional theory simulations coupled with phonon density of states calculations to capture temperature effects. A novel structure and composition were identified for the Be-Fe binary {\epsilon} phase. In absence of Al, FeBe_5 is predicted to form at equilibrium above ~ 1250 K, while the {\epsilon} phase is stable only below ~ 1650 K, and FeBe_2 is stable at all temperatures below melting. Small additions of Al are found to stabilise FeBe_5 over FeBe_2 and {\epsilon}, while at high Al content, AlFeBe_4 is predicted to form. Deviations from stoichiometric compositions are also considered and found to be important in the case of FeBe_5 and {\epsilon}. The propensity for disordered vs ordered structures is also important for AlFeBe_4 (which exhibits complete Al-Fe disordered at all temperatures) and FeBe_5 (which exhibits an order-disorder transition at ~ 950 K).Comment: 14 pages, 10 figures, accepted for publication in J. Alloy Compd. on 14 March 201

    Defining Areas: Linking Geographic Data in New Zealand

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    This paper develops a match quality statistic to quantify the trade-off between 'specificity' and 'completeness' when aggregating one regional aggregation to another. We apply this statistic to calculate the degree of mismatch between various regional aggregations for New Zealand using 1991 and 2001 Census Data. A program to calculate mismatch statistics is included as an appendix, as a Stata(r) ado file.Match quality; Geographic Aggregation

    Population Growth and Other Statistics of Middle-sized Irish Towns. General Research Series Paper No. 85, April 1976

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    The basic aim of the study is the presentation of tables of comparative statistical data relating to 97 towns with population 5OO-1O,OOO in 1971 and analyses of such data. The exclusion of the four County Boroughs and Dun Laoghaire together with twelve other large towns and all small towns and villages, was to impart a degree of homogeneity to the inquiry, as regards function of town. The 97 towns range from Mullingar, the largest with a population of 9,245 to Cootehill with 1,542

    Defect interactions in Sn<sub>1-<i>x</i></sub>Ge<sub><i>x</i></sub> random alloys

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    Sn1-xGex alloys are candidates for buffer layers to match the lattices of III-V or II-VI compounds with Si or Ge for microelectronic or optoelectronic applications. In the present work electronic structure calculations are used to study relative energies of clusters formed between Sn atoms and lattice vacancies in Ge that relate to alloys of low Sn content. We also establish that the special quasirandom structure approach correctly describes the random alloy nature of Sn1-xGex with higher Sn content. In particular, the calculated deviations of the lattice parameters from Vegard's Law are consistent with experimental results

    Ethnic identity and aspirations among rural Alaska youth

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    The villages of rural Alaska comprise one of the most exceptional, yet least visible, sociocultural environments in the United States They are geographically remote, and set off from the mainstream also by their unique Eskimo, Indian or Aleut cultures. At the same time many economic, legal and cultural connections pull these villages toward the dominant U.S. society, impelling continual and rapid social change. Our research focuses on adolescents growing up in this culturally complex and changing environment. We employ survey data from adolescents in 19 rural schools to explore relationships between ethnic identity and students\u27 expectations about moving away or attending college. Many students describe their ethnic identity as mixed, both Native and non-Native. On some key variables, the responses of mixed-identity students fall between those of Natives and non-Natives, supporting a theoretical conception of ethnicity as a matter of degree rather than category. Migration and college expectations vary with ethnic identity, but the college expectations/identity relationship fades when we adjust for other variables. Ethnicity affects expectations for the most part indirectly, through “cultural tool kit” variables including family role models and support. Gender differences in expectations, on the other hand, remain substantial even after adjusting for other variables

    Sickle-cell disease contributes to cognitive impairment in children

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    An examination of how sickle-cell disease contributes to cognitive impairment in children. The definition, classification, and pathophysiology of sickle-cell disease is discussed to support the cognitive impairment seen within children with sickle-cell disease. The quality of life that children with sickle cell experience is also discussed as it plays a role in how children with sickle cell experience the disease. Therapeutic measures are also examined to discuss the possible interventions that can be taken to aide children with sickle cell manage the disease. After careful research, it is concluded that four factors directly cause compromised neurological function in children with sickle-cell disease; (1) recurrent micro infarction of the central nervous system; (2) chronic hypoxic damage to the brain or diminished pulmonary function; (3) sub-acute brain damage that occurred during bouts of hypoxia associated with events such as aplastic crisis, acute chest syndrome, and obstructive sleep apnea; and (4) chronic nutritional deficiency associated with increased metabolic demands. The therapeutic interventions that are discussed to aid in the management of sickle-cell disease are inhibition of hemoglobin S polymerization and reduction of the intracellular hemoglobin concentration

    <i>E</i> centers in ternary Si<sub>1-<i>x-y</i></sub>Ge<sub><i>x</i></sub>Sn<sub><i>y</i></sub> random alloys

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    Density functional theory calculations are used to study the association of arsenic (As) atoms to lattice vacancies and the formation of As-vacancy pairs, known as E centers, in the random Si0.375Ge0.5Sn0.125 alloy. The local environments are described by 32-atom special quasirandom structures that represent random Si1-x-yGexSny alloys. It is predicted that the nearest-neighbor environment will exert a strong influence on the stability of E centers in ternary Si0.375Ge0.5Sn0.125
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