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Sample records for lindemann ellu saar

  1. Physics of the Lindemann melting rule

    SciTech Connect

    Lawson, Andrew C

    2008-01-01

    We investigate the thermodynamics of melting for 74 distinct chemical elements including several actinides and rare earths. We find that the observed melting points are consistent with a linear relationship between the correlation entropy of the liquid and the Grueneisen constant of the solid, and that the Lindemann rule is well obeyed for the elements with simple structures and less well obeyed for the less symmetric more open structures. No special assumptions are required to explain the melting points of the rare earths or light actinides.

  2. A Lindemann criterion for the atomization of metals

    NASA Astrophysics Data System (ADS)

    Batsanov, S. S.

    2012-11-01

    A thermodynamic variation of the Lindemann criterion for the vaporization of metals is proposed. It is shown that the critical amplitude of vibrations of atoms at the boiling point averages 1.42 bond lengths. Close values of interatomic distances result from the Vinet universal equation for the atomization of metals under the action of high temperatures (1.48) and negative pressures (1.50). The last value corresponds to the Van der Waals distances between metal atoms.

  3. On the volume-dependence of the Grüneisen parameter and the Lindemann law of melting

    NASA Astrophysics Data System (ADS)

    Kushwah, S. S.; Tomar, Y. S.; Upadhyay, A. K.

    2013-08-01

    It has been shown by Errandonea (Physica B 357 (2005) 356) that the Lindemann law cannot reproduce the high pressure melting curves of transition metals. Using an expression for the volume dependence of the Grüneisen parameter γ originally due to Burakovsky and Preston (J. Phys. Chem. Solids 65 (2004) 1581), Errandonea determined the constants appearing in the expression of gamma by making the Lindemann law to match the experimental melting data. The results for the volume dependence of gamma thus obtained by Errandonea are shown here to be much different from those determined using the Burakovsky-Preston approach. A direct comparison of the results based on the two approaches has been presented for the transition metal Mo. It is reinforced that the Lindemann law does not work satisfactorily for the transition metals with low slopes of melting curves.

  4. Calculation of difference in heat capacities at constant pressure and constant volume with the aid of the empirical Nernst and Lindemann equation

    NASA Astrophysics Data System (ADS)

    Leontev, K. L.

    1981-07-01

    An expression is obtained for heat capacity differences of materials at a constant pressure and volume, on the basis of the rigorous thermodynamic equation (Kittel, 1976), and by using the Grueneisen law (Kikoin and Kikoin, 1976) of constancy of the ratio of the cubic expansion coefficient to the molar heat capacity. Conditions are determined, where the empirical Nernst and Lindemann (Filippov, 1967) equation is regarded as rigorous.

  5. Geothermal reservoir properties of the Rotliegend (Permocarboniferous) sediments in the Saar Nahe Basin (South-West Germany)

    NASA Astrophysics Data System (ADS)

    Aretz, A.; Bär, K.; Sass, I.

    2012-04-01

    The geothermal potential of the Rotliegend (Permocarboniferous) in the Northern Upper Rhine Graben and the Saar-Nahe-Basin (Germany) has been shown in large scale regional studies. To further assess the geothermal potential of the different lithostratigraphical units and facies types within this Variscan intramontane basin, knowledge of their thermophysical and hydraulic properties is indispensable. Where the Cenozoic Upper Rhine Graben crosses the Permocarboniferous molasse basin, the top of the up to two kilometers thick Permocarboniferous deposits is located at a depth of one to three kilometers and is overlain by Tertiary and Quaternary sediments. Therefore, the reservoir temperatures exceed 150°C, making it suitable for geothermal power production. Lithologically the Permocarboniferous deposits consist of different formations and facies types including fine, middle and coarse grained sandstones, arcosic sandstones, siltstones, volcanics and carbonates. Within the framework of the study presented here, outcrop analogue studies west of the Graben in the Saar-Nahe-Basin, and east of the Graben in the Wetterau and the Wetterau-Fulda-Basin are conducted. Each lithostratigraphic formation and lithofacies type is sampled in various outcrops to generate a statistically sufficient amount of samples of the different sedimentary rocks in order to determine their petrophysical, sedimentological and geochemical characteristics. The petrophysical parameters measured include the porosity, permeability, density, thermal conductivity, thermal diffusivity and uniaxial compressive strength. So far, the petrophysical properties of samples of more than 70 locations have been measured in our lab facilities, showing a clear correlation with the facies type. Excluding the coarse grained sandstones of the Donnersberg formation at the beginning of the Nahe-subgroup of the Upper Rotliegend, the geothermal reservoir properties are more suitable in the Glan-subgroup of the Lower

  6. QTL for spot blotch resistance in bread wheat line Saar co-locate to the biotrophic disease resistance loci Lr34 and Lr46.

    PubMed

    Lillemo, Morten; Joshi, Arun K; Prasad, Ravindra; Chand, Ramesh; Singh, Ravi P

    2013-03-01

    Spot blotch caused by Bipolaris sorokiniana is a major disease of wheat in warm and humid wheat growing regions of the world including south Asian countries such as India, Nepal and Bangladesh. The CIMMYT bread wheat line Saar which carries the leaf tip necrosis (LTN)-associated rust resistance genes Lr34 and Lr46 has exhibited a low level of spot blotch disease in field trials conducted in Asia and South America. One hundred and fourteen recombinant inbred lines (RILs) of Avocet (Susceptible) × Saar, were evaluated along with parents in two dates of sowing in India for 3 years (2007-2008 to 2009-2010) to identify quantitative trait loci (QTL) associated with spot blotch resistance, and to determine the potential association of Lr34 and Lr46 with resistance to this disease. Lr34 was found to constitute the main locus for spot blotch resistance, and explained as much as 55 % of the phenotypic variation in the mean disease data across the six environments. Based on the large effect, the spot blotch resistance at this locus has been given the gene designation Sb1. Two further, minor QTL were detected in the sub-population of RILs not containing Lr34. The first of these was located about 40 cM distal to Lr34 on 7DS, and the other corresponded to Lr46 on 1BL. A major implication for wheat breeding is that Lr34 and Lr46, which are widely used in wheat breeding to improve resistance to rust diseases and powdery mildew, also have a beneficial effect on spot blotch.

  7. Aromatized arborane/fernane hydrocarbons as molecular indicators of floral changes in Upper Carboniferous/Lower Permian strata of the Saar-Nahe Basin, southwestern Germany

    NASA Astrophysics Data System (ADS)

    Vliex, M.; Hagemann, H. W.; Püttmann, W.

    1994-11-01

    Thirty-seven coal samples of Upper Carboniferous and Lower Permian age from three boreholes in the Saar-Nahe Basin, Germany, have been studied by organic geochemical and coal petrological methods. The investigations were aimed at the recognition of floral changes in the Upper Carboniferous and Lower Permian strata. The results show that compositional changes in the extracts are only partly caused by variations in coalification. Specific aromatic hydrocarbons appear in Upper Westphalian D coal seams and increase in concentration up to the Rotliegendes. The dominant compound has been identified by mass spectrometry and NMR-spectroscopy as 5-methyl-10-(4-methylpentyl)-des- A-25-norarbora(ferna)-5,7,9-triene (MATH) and always occurs associated with 25-norarbora(ferna)-5,7,9-triene. Both compounds are thought to originate from isoarborinol, fernene-3β-ol, or fernenes. The strongly acidic conditions during deposition of the coals might have induced the 4,5-cleavage combined with a methyl-shift in an arborane/fernane-type pentacyclic precursor yielding the MATH. Based on petrological investigations, palynomorphs related to early Gymnospermopsida such as Pteridospermales and Coniferophytes ( Cordaitales and Coniferales) increased in abundance in the strata beginning with the Upper Westphalian D concomitant with the above mentioned biomarkers. The results suggest the arborane/fernane derivatives originate from the plant communities producing these palynomorphs.

  8. Fluvial sedimentary styles and associated depositional environments in the buntsandstein west of river rhine in saar area and pfalz (F.R. Germany) and vosges (France)

    NASA Astrophysics Data System (ADS)

    Dachroth, Wolfgang

    The Buntsandstein west of river Rhine in Saar area, Pfalz and Vosges consists of three fluvial magnacycles which are characterized by different associated non-alluvial environments. The stratigraphic sequence is divided by several unconformities reflecting tectonic movements which were connected with periods of extension of the depositional area. Two major phases and two minor events are recognized by the evaluation of the Pfalz unconformity and the Lothringen unconformity, and the Leuter unconformity and the Saar unconformity, respectively. The Lower Buntsandstein (including Zechstein) compries the first magnacycle and is built up of alluvial-fan deposits, fluvial braidplain sediments and marine to lagoonal deposits. Some aeolian sands as well as several palaeosols are also present. The palaeolandscape consists of alluvial fans seaming the margin of the basin and fluvial braidplains reaching from the toes of the fan belt to the centre of the depositional area which is occupied by a lagoonal sea that partially evolves into a playa-lake with progressive refreshment. The Middle Buntsandstein comprises the second magnacycle and is composed of an alternation of aeolian Dünnschichten and fluvial Felsbänke. The third facies are alluvial-fan deposits of palaeogeographically restricted distribution along the margins of the basin. The aeolian Dünnschichten originate in the marginal parts of chott-type depressions (in comparison with the recent Chott Djerid in Tunesia) where rising ground water moistens the dry sediments that are laid down on the playa floor and thus allows their enhanced preservation. In dry periods, wind-blown sand is spread out as plane sheets or as migrating wind ripple trains, or accumulates to barchanoid-type dunes that advance across the flat. Depending on supply of sand, all stages of transition between dune fields with only narrow interdune corridors between the ridges and interdune playas with isolated widely-spaced dunes are developed. The

  9. Lindemann's rule applied to the melting of crystals and ultra-stable glasses

    NASA Astrophysics Data System (ADS)

    Tournier, Robert F.

    2016-05-01

    The ratio of the mean square amplitude root of thermal vibrations and the interatomic distance is a universal constant δls at the melting temperature Tm. The classical Gibbs free energy change completed by a volume energy saving ɛls (or Δɛlg) × ΔHm that governs the liquid to solid and liquid to ultra-stable glass transformations leads to a universal constant equal to δls (or δlg), ΔHm being the crystal melting enthalpy. The minimum values 0.217 of ɛls and 0.103 of δls are used to predict ultra-stable glass formation in pure metallic liquid elements at a universal reduced temperature θg = (Tg - Tm)/Tm = -0.6223.

  10. Melting of icosahedral nickel clusters under hydrostatic pressure.

    PubMed

    Fu, Bing; Chen, Li; Wang, Feifei; Xie, Yiqun; Ye, Xiang

    2014-12-01

    The thermal stabilities and melting behavior of icosahedral nickel clusters under hydrostatic pressure have been studied by constant-pressure molecular dynamics simulation. The potential energy and Lindemann index are calculated. The overall melting temperature exhibits a strong dependence on pressure. The Lindemann index of solid structure before melting varies slowly and is almost independent of pressure. However, after the clusters melt completely, the Lindemann index at the overall melting point strongly depends on pressure. The overall melting temperature is found to be increasing nonlinearly with increasing pressure, while the volume change during melting decreases linearly with increasing pressure. Under a high pressure and temperature environment, similar angular distributions were found between liquid and solid structures, indicating the existence of a converging local structure.

  11. Problems with Current Models of Grieving and Consequences for Older Persons.

    ERIC Educational Resources Information Center

    Horacek, Bruce J.

    Classical models of the grieving process include Freud's concept of withdrawal of ties to the love object called decathexis, and Lindemann's emancipation from the bondage to the deceased involving adjusting to the loss in one's environment and the ability to form new relationships. Most of the models and explanations of the grieving process over…

  12. The Utility of the Lambert Function W[a exp(a - bt)] in Chemical Kinetics

    ERIC Educational Resources Information Center

    Williams, Brian Wesley

    2010-01-01

    The mathematical Lambert function W[a exp(a - bt)] is used to find integrated rate laws for several examples, including simple enzyme and Lindemann-Christiansen-Hinshelwood (LCH) unimolecular decay kinetics. The results derived here for the well-known LCH mechanism as well as for a dimer-monomer reaction mechanism appear to be novel. A nonlinear…

  13. Learning Theory for Use in the Composition Classroom.

    ERIC Educational Resources Information Center

    Winter, Kathleen R.

    Teaching "some" literature in a college composition course is important because it offers variety, enlivens classroom discussion, introduces different writing styles, and helps students to understand and study life. The debate over the appropriateness of literature in the composition classroom has been ongoing. Erika Lindemann believes that…

  14. Control and Chaos: Student-Centered Pedagogy in the Graduate Composition Theory Course.

    ERIC Educational Resources Information Center

    Graves, Roger

    A graduate course that required those enrolled to read an array of texts on composition theory yet left it up to them to stimulate classroom discussion yielded mixed results, according to student evaluations. The texts for the course, including Gary Tate and Edward P. J. Corbett's "Writing Teacher's Sourcebook," Erika Lindemann's "A Rhetoric for…

  15. CONDENSED MATTER: STRUCTURE, THERMAL AND MECHANICAL PROPERTIES: Thermal stability of silicon nanowires: atomistic simulation study

    NASA Astrophysics Data System (ADS)

    Liu, Wen-Liang; Zhang, Kai-Wang; Zhong, Jian-Xin

    2009-07-01

    Using the Stillinger-Weber (SW) potential model, we investigate the thermal stability of pristine silicon nanowires based on classical molecular dynamics (MD) simulations. We explore the structural evolutions and the Lindemann indices of silicon nanowires at different temperatures in order to unveil atomic-level melting behaviour of silicon nanowires. The simulation results show that silicon nanowires with surface reconstructions have higher thermal stability than those without surface reconstructions, and that silicon nanowires with perpendicular dimmer rows on the two (100) surfaces have somewhat higher thermal stability than nanowires with parallel dimmer rows on the two (100) surfaces. Furthermore, the melting temperature of silicon nanowires increases as their diameter increases and reaches a saturation value close to the melting temperature of bulk silicon. The value of the Lindemann index for melting silicon nanowires is 0.037.

  16. 78 FR 61949 - Order Relating to Afshin (“Sean”) Naghibi

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-10-08

    ... that of August 8, 2013 (78 FR 49107 (Aug. 12, 2013)), has continued the Regulations in effect under the... ultrasound equipment and related accessories, items designated as EAR99 \\3\\ and valued at $1,468,950, by...''), to ship ultrasound units for UMI to Taban Saar in Iran for a small commission, according...

  17. Mining-Induced Seismicity in the Saarland, Germany

    NASA Astrophysics Data System (ADS)

    Fritschen, Ralf

    2010-02-01

    Coal mining in the Saar mine, Germany, is accompanied by mining-induced seismic events. Strong events occur only in certain areas of the mine, other areas exhibit almost no seismicity. Shear events occur simultaneously to non-shear events. The shear events occur in different depths but their epicenters do concentrate in bands. The strike of the bands coincides with the strike of larger regional faults in the area. The seismic events of the Saar mine show some characteristics which distinguish them from seismic events observed in other German coalfields. The Gutenberg-Richter relation, for example, does not hold for these events. Furthermore, radiated seismic energy and extracted coal volume are not correlated. In the Primsmulde field a strong seismic event was observed even before mining in that region started. The event was triggered just by driving roadways into the field. The shear events cannot be explained by the mining process alone. They are presumably induced in certain regions (bands) under tectonic load by an interaction of mining-induced and tectonic stresses. In February 2008, extraction in the Primsmulde field induced a seismic event of magnitude 4, which led to surface vibrations reaching 93 mm/s. After this event, the Primsmulde field had to be abandoned. Future extraction of the Saar mine will be restricted to some small areas not intersected by the event bands found in the Dilsburg Ost and Primsmulde fields. The Saar mine will close in 2011.

  18. Theory of melting at high pressures: Amending density functional theory with quantum Monte Carlo

    SciTech Connect

    Shulenburger, L.; Desjarlais, M. P.; Mattsson, T. R.

    2014-10-01

    We present an improved first-principles description of melting under pressure based on thermodynamic integration comparing Density Functional Theory (DFT) and quantum Monte Carlo (QMC) treatments of the system. The method is applied to address the longstanding discrepancy between density functional theory (DFT) calculations and diamond anvil cell (DAC) experiments on the melting curve of xenon, a noble gas solid where van der Waals binding is challenging for traditional DFT methods. The calculations show excellent agreement with data below 20 GPa and that the high-pressure melt curve is well described by a Lindemann behavior up to at least 80 GPa, a finding in stark contrast to DAC data.

  19. Birthing Ethics: What Mothers, Families, Childbirth Educators, Nurses, and Physicians Should Know About the Ethics of Childbirth

    PubMed Central

    Torres, Jennifer M; De Vries, Raymond G

    2009-01-01

    This article discusses current ethical issues associated with childbirth in the United States. It provides a review of moral problems and ethical choices made by parents and health-care professionals during the prenatal, intrapartum, and postpartum periods. Ethical issues are identified and framed through a “naturalized bioethics” approach, as recommended by Margaret Walker and her colleagues, Hilde Lindemann and Marian Verkerk. This approach critiques traditional bioethics and gives attention to everyday ethics and the social, economic, and political context within which ethical problems exist. This approach provides the reader with the tools needed to critically assess the way ethical problems are defined and resolved. PMID:19360141

  20. Effect of Size Polydispersity on Melting of Charged Colloidal Systems

    NASA Astrophysics Data System (ADS)

    Chen, Yong

    2003-09-01

    We introduce simple prescriptions of the Yukawa potential to describe the effect of size polydispersity and macroion shielding effect in charged colloidal systems. The solid-liquid phase boundaries were presented with the Lindemann criterion based on molecular dynamics simulations. Compared with the Robbins-Kremer-Grest simulation results, a deviation of melting line is observed at small lambda, which means large macroion screening length. This deviation of phase boundary is qualitatively consistent with the simulation result of the nonlinear Poisson-Boltzmann equation with full many-body interactions. It is found that this deviation of the solid-liquid phase behaviour is sensitive to the screening parameter.

  1. Fat stigma and public health: a theoretical framework and ethical analysis.

    PubMed

    Abu-Odeh, Desiree

    2014-09-01

    This paper proposes a theoretical framework for understanding fat stigma and its impact on people's well-being. It argues that stigma should never be used as a tool to achieve public health ends. Drawing on Bruce Link and Jo Phelan's 2001 conceptualization of stigma as well as the works of Hilde Lindemann, Paul Benson, and Margaret Urban Walker on identity, positionality, and agency, this paper clarifies the mechanisms by which stigmatizing, oppressive conceptions of overweight and obesity damage identities and diminish moral agency, arguing that the use of obesity-related stigma for public health ends violates the bioethics principles of nonmaleficence, autonomy, and justice.

  2. Two-dimensional melting of a crystal of ferrofluid spikes.

    PubMed

    Boyer, François; Falcon, Eric

    2009-10-01

    We report the observation of the transition from an ordered solidlike phase to a disordered liquidlike phase of a lattice of spikes on a ferrofluid surface submitted to horizontal sinusoidal vibrations. The melting transition occurs for a critical spike displacement which is experimentally found to follow the Lindemann criterion, for two different lattice topologies (hexagonal and square) and over a wide range of lattice wavelengths. An intermediate hexaticlike phase between the solid and isotropic liquid phases is also observed and characterized by standard correlation functions. This dissipative out-of-equilibrium system exhibits strong similarities with 2D melting in solid-state physics.

  3. High pressure melting curves of silver, gold and copper

    SciTech Connect

    Hieu, Ho Khac

    2013-11-15

    In this work, based on the Lindemann's formula of melting and the pressure-dependent Grüneisen parameter, we have investigated the pressure effect on melting temperature of silver, gold and copper metals. The analytical expression of melting temperature as a function of volume compression has been derived. Our results are compared with available experimental data as well as with previous theoretical studies and the good and reasonable agreements are found. We also proposed the potential of this approach on predicting melting of copper at very high pressure.

  4. Experimental Evidence for a Crossover between Two Distinct Mechanisms of Amorphization in Ice Ih under Pressure

    SciTech Connect

    Straessle, Thierry; Klotz, Stefan; Hamel, Gerard; Koza, Michael M.; Schober, Helmut

    2007-10-26

    We report neutron scattering data which reveal the central role of phonon softening leading to a negative melting line, solid-state amorphization, and negative thermal expansion of ice. We find that pressure-induced amorphization is due to mechanical melting at low temperatures, while at higher temperatures amorphization is governed by thermal melting (violations of Born's and Lindemann's criteria, respectively). This confirms earlier conjectures of a crossover between two distinct amorphization mechanisms and provides a natural explanation for the strong annealing observed in high-density amorphous ice.

  5. Theoretical estimation of surface Debye temperature of nano structured material

    NASA Astrophysics Data System (ADS)

    Gangopadhyay, Bijan Kumar; Sarkar, A.

    2016-05-01

    The estimation of Debye temperature (TD) exploiting phonon is very important. In this work an attempt has been made to estimate TD for solids in a simple phenomenological approach. The ultimate goal is to estimate TD for nano structured material. The objective of this present work is to extend Debye model for nano-structured material and hence to extract the contribution to surface specific heat and surface Debye temperature. An empirical relation between TD and surface Debye temperature (TDS) is proposed. Lindemann melting criterion is also extended towards nano structure. The overall results obtained are compared and found to be in good agreement.

  6. Melting mechanisms at the limit of superheating.

    PubMed

    Jin, Z H; Gumbsch, P; Lu, K; Ma, E

    2001-07-30

    The atomic-scale details during melting of a surface-free Lennard-Jones crystal were monitored using molecular dynamics simulations. Melting occurs when the superheated crystal spontaneously generates a sufficiently large number of spatially correlated destabilized particles that simultaneously satisfy the Lindemann and Born instability criteria. The accumulation and coalescence of these internal local lattice instabilities constitute the primary mechanism for homogeneous melt nucleation inside the crystal, in lieu of surface nucleation for equilibrium melting. The vibrational and elastic lattice instability criteria as well as the homogeneous nucleation theory all coincide in determining the superheating limit.

  7. Imaging the Homogeneous Nucleation During the Melting of Superheated Colloidal Crystals

    NASA Astrophysics Data System (ADS)

    Wang, Ziren; Wang, Feng; Peng, Yi; Zheng, Zhongyu; Han, Yilong

    2012-10-01

    The nucleation process is crucial to many phase transitions, but its kinetics are difficult to predict and measure. We superheated and melted the interior of thermal-sensitive colloidal crystals and investigated by means of video microscopy the homogeneous melting at single-particle resolution. The observed nucleation precursor was local particle-exchange loops surrounded by particles with large displacement amplitudes rather than any defects. The critical size, incubation time, and shape and size evolutions of the nucleus were measured. They deviate from the classical nucleation theory under strong superheating, mainly because of the coalescence of nuclei. The superheat limit agrees with the measured Born and Lindemann instabilities.

  8. Quantum melting of a two-dimensional vortex lattice at zero temperature

    SciTech Connect

    Rozhkov, A.; Stroud, D.

    1996-11-01

    We consider the quantum melting of a two-dimensional flux lattice at temperature {ital T} = 0 in the {open_quote}{open_quote}superclean limit.{close_quote}{close_quote} In this regime, we find that vortex motion is dominated by the Magnus force. A Lindemann criterion predicts melting when {ital n}{sub {ital v}}/{ital n}{sub {ital p}}{ge}{beta}, where {ital n}{sub {ital v}} and {ital n}{sub {ital p}} are the areal number densities of vortex pancakes and Cooper pairs, and {beta}{approx_equal}0.1. A second criterion is derived by using Wigner-crystal and Laughlin wave functions for the solid and liquid phases respectively, and setting the two energies equal. This gives a melting value similar to the Lindemann result. We discuss the numerical value of the {ital T}=0 melting field for thin layers of a low-{ital T}{sub {ital c}} superconductor, such as {ital a}-MoGe, and single layers of high-{ital T}{sub {ital c}} materials. {copyright} {ital 1996 The American Physical Society.}

  9. Ionic microgels as model systems for colloids with an ultrasoft electrosteric repulsion: Structure and thermodynamics

    NASA Astrophysics Data System (ADS)

    Gottwald, D.; Likos, C. N.; Kahl, G.; Löwen, H.

    2005-02-01

    We present a theoretical analysis of the structural properties and phase behavior of spherical, loosely cross-linked ionic microgels that possess a low monomer concentration. The analysis is based on the recently derived effective interaction potential between such particles [A. R. Denton, Phys. Rev. E 67, 011804 (2003)]. By employing standard tools from the theory of the liquid state, we quantitatively analyze the pair correlations in the fluid and find anomalous behavior above the overlap concentration, similar to the cases of star-branched neutral and charged polymers. We also employ an evolutionary algorithm in order to predict the crystalline phases of the system without any a priori assumptions regarding their symmetry class. A very rich phase diagram is obtained, featuring two reentrant melting transitions and a number of unusual crystal structures. At high densities, both the Hansen-Verlet freezing criterion [J.-P. Hansen and L. Verlet, Phys. Rev. 184, 151 (1969)] and the Lindemann melting criterion [F. A. Lindemann, Phys. Z. 11, 609 (1910)] lose their validity. The topology of the phase diagram is altered when the steric interactions between the polymer segments become strong enough, in which case the lower-density reentrant melting disappears and the region of stability of the fluid is split into two disconnected domains, separated by intervening fcc and bcc regions.

  10. Is there a linkage between bioaccumulation and the effects of alkylphenols on male breams (Abramis brama)?

    PubMed

    Klein, Roland; Bartel, Martina; He, Xiaohua; Müller, Josef; Quack, Markus

    2005-05-01

    There was some evidence from a previous study that estrogenic disruptors, like alkylphenols, could effect fish in the small River Saar of Southwestern Germany. Concentrations of 4NP and 4NP1EO found in breams (Abramis brama) in the Saar River were much higher than those found in other sampling sites of the German Environmental Specimen Bank, including those from sampling sites in the Rivers Elbe, Rhine, Mulde, and Saale and in Lake Belau. We studied the relationship between accumulation and effect using vitellogenin (vtg) and a hepatosomatic index (HSI) of estrogenic effects and by measuring concentrations of AP and APE accumulated in breams caught at six sampling sites in the River Saar and one in the River Mosel. To link these results with those of the previous study we standardized our sampling efforts to obtain comparable data. Elevated vtg levels were found in the breams at all sampling sites near to or downstream of sewage plant discharges, whereas low vtg levels corresponded to sampling sites not influenced by municipal waste water. While HSI values did not correspond to the location of sampling sites, there was a weak but statistically significant correlation to vtg concentrations. Concentrations of four AP and APE were much more lower, as in the previous study, and were neither linked with sewage treatment plant discharges nor correlated with vtg levels. In conclusion, a linkage between accumulation and the effects of AP and APE could not be established, but the relationship between elevated vtg concentrations and municipal waste water, which contains other important endocrine disruptors, was clear.

  11. An equation of state for alkali metals

    NASA Astrophysics Data System (ADS)

    Arafin, Sayyadul; Singh, Ram N.

    2016-04-01

    Semi-empirical equations of state based on Lindemann's law have been developed to determine the pressure (P) dependence of the melting temperature (Tm) of Li, K, Rb and Cs. The basic inputs are Grüneisen parameter and the bulk modulus. Tm-P variations exhibit maximum melting temperature with concave downwards. The maximum in Tm for Cs is found to occur at pressure of 2.2 GPa whereas for Li, K and Rb it falls in the range of 7-9.5 GPa. The predicted values of Tm as a function of pressure, based on the present empirical relation, fit quite well with the available experimental data. The empirical relation can also be used to extrapolate Tm at higher pressure from the values available at lower pressures.

  12. Vortex penetration depth of organic superconductors: Evidence for vortex lattice melting

    SciTech Connect

    Tea, N.H.; Giannetta, R.W.; Salamon, M.B.; Williams, J.M.; Wang, H.H.; Geiser, U.

    1997-07-01

    The authors observe a crossover field H* in the temperature and magnetic field dependence of the rf vortex penetration depth in {kappa}-(ET){sub 2}Cu[N(CN){sub 2}]Br for {rvec H}{sub dc}{parallel}{cflx b}-axis. They find that H* can be described quantitatively by the 3D Lindemann melting theory; thus, it corresponds to the melting of the vortex lattice in {kappa}-(ET){sub 2}Cu[N(CN){sub 2}]Br and lies very close to the irreversibility line. In the vortex-liquid state, they argue that the saturation of the vortex penetration depth in a magnetic field results from the finite size of the sample. The results do not have the scaling form predicted by the Coffey-Clem model in contrast to previous findings.

  13. Instability of insulating states in optical lattices due to collective phonon excitations

    NASA Astrophysics Data System (ADS)

    Yukalov, V. I.; Ziegler, K.

    2015-02-01

    The effect of collective phonon excitations on the properties of cold atoms in optical lattices is investigated. These phonon excitations are collective excitations, whose appearance is caused by intersite atomic interactions correlating the atoms, and they do not arise without such interactions. These collective excitations should not be confused with lattice vibrations produced by an external force. No such force is assumed. But the considered phonons are purely self-organized collective excitations, characterizing atomic oscillations around lattice sites, due to intersite atomic interactions. It is shown that these excitations can essentially influence the possibility of atoms' being localized. The states that would be insulating in the absence of phonon excitations can become delocalized when these excitations are taken into account. This concerns long-range as well as local atomic interactions. To characterize the region of stability, the Lindemann criterion is used.

  14. Thermodynamics of freezing and melting.

    PubMed

    Pedersen, Ulf R; Costigliola, Lorenzo; Bailey, Nicholas P; Schrøder, Thomas B; Dyre, Jeppe C

    2016-01-01

    Although the freezing of liquids and melting of crystals are fundamental for many areas of the sciences, even simple properties like the temperature-pressure relation along the melting line cannot be predicted today. Here we present a theory in which properties of the coexisting crystal and liquid phases at a single thermodynamic state point provide the basis for calculating the pressure, density and entropy of fusion as functions of temperature along the melting line, as well as the variation along this line of the reduced crystalline vibrational mean-square displacement (the Lindemann ratio), and the liquid's diffusion constant and viscosity. The framework developed, which applies for the sizable class of systems characterized by hidden scale invariance, is validated by computer simulations of the standard 12-6 Lennard-Jones system. PMID:27530064

  15. Mode couplings and resonance instabilities in finite dust chains.

    PubMed

    Qiao, Ke; Kong, Jie; Matthews, Lorin S; Hyde, Truell W

    2015-05-01

    Employing a numerical simulation, the normal modes are investigated for finite, one-dimensional horizontal dust chains in complex plasma. Mode couplings induced by the ion flow within the sheath are identified in the mode spectra and the coupling rules are determined. Two types of resonance-induced instabilities are observed, one bidirectional and one unidirectional. Bidirectional instability is found to cause melting of the chain with the melting proceeding via a two-step process which obeys the Lindemann criterion. The relationship between the normal mode spectra observed in finite systems and the wave dispersion relations seen in larger systems was also examined using a dust chain model. For this case, the dispersion relation was obtained through multiplication of the mode spectra matrix by a transition matrix. The resulting dispersion relations exhibit both the general features observed in larger crystals as well as several characteristics unique to finite systems, such as discontinuities and strong energy-density fluctuations. PMID:26066266

  16. Fragilities of liquids predicted from the random first order transition theory of glasses

    NASA Astrophysics Data System (ADS)

    Xia, Xiaoyu; Wolynes, Peter G.

    2000-03-01

    A microscopically motivated theory of glassy dynamics based on an underlying random first order transition is developed to explain the magnitude of free energy barriers for glassy relaxation. A variety of empirical correlations embodied in the concept of liquid "fragility" are shown to be quantitatively explained by such a model. The near universality of a Lindemann ratio characterizing the maximal amplitude of thermal vibrations within an amorphous minimum explains the variation of fragility with a liquid's configurational heat capacity density. Furthermore, the numerical prefactor of this correlation is well approximated by the microscopic calculation. The size of heterogeneous reconfiguring regions in a viscous liquid is inferred and the correlation of nonexponentiality of relaxation with fragility is qualitatively explained. Thus the wide variety of kinetic behavior in liquids of quite disparate chemical nature reflects quantitative rather than qualitative differences in their energy landscapes.

  17. Thermodynamics of freezing and melting

    PubMed Central

    Pedersen, Ulf R.; Costigliola, Lorenzo; Bailey, Nicholas P.; Schrøder, Thomas B.; Dyre, Jeppe C.

    2016-01-01

    Although the freezing of liquids and melting of crystals are fundamental for many areas of the sciences, even simple properties like the temperature–pressure relation along the melting line cannot be predicted today. Here we present a theory in which properties of the coexisting crystal and liquid phases at a single thermodynamic state point provide the basis for calculating the pressure, density and entropy of fusion as functions of temperature along the melting line, as well as the variation along this line of the reduced crystalline vibrational mean-square displacement (the Lindemann ratio), and the liquid's diffusion constant and viscosity. The framework developed, which applies for the sizable class of systems characterized by hidden scale invariance, is validated by computer simulations of the standard 12-6 Lennard-Jones system. PMID:27530064

  18. Coulomb structures of charged macroparticles in static magnetic traps at cryogenic temperatures

    NASA Astrophysics Data System (ADS)

    Vasiliev, M. M.; Petrov, O. F.; Statsenko, K. B.

    2015-12-01

    Electrically charged (up to 107 e) macroscopic superconducting particles with sizes in the micrometer range confined in a static magnetic trap in liquid nitrogen and in nitrogen vapor at temperatures of 77-91 K are observed experimentally. The macroparticles with sizes up to 60 μm levitate in a nonuniform static magnetic field B ~ 2500 G. The formation of strongly correlated structures comprising as many as ~103 particles is reported. The average particle distance in these structures amounts to 475 μm. The coupling parameter and the Lindemann parameter of these structures are estimated to be ~107 and ~0.03, respectively, which is characteristic of strongly correlated crystalline or glasslike structures.

  19. Thermodynamics of freezing and melting.

    PubMed

    Pedersen, Ulf R; Costigliola, Lorenzo; Bailey, Nicholas P; Schrøder, Thomas B; Dyre, Jeppe C

    2016-08-17

    Although the freezing of liquids and melting of crystals are fundamental for many areas of the sciences, even simple properties like the temperature-pressure relation along the melting line cannot be predicted today. Here we present a theory in which properties of the coexisting crystal and liquid phases at a single thermodynamic state point provide the basis for calculating the pressure, density and entropy of fusion as functions of temperature along the melting line, as well as the variation along this line of the reduced crystalline vibrational mean-square displacement (the Lindemann ratio), and the liquid's diffusion constant and viscosity. The framework developed, which applies for the sizable class of systems characterized by hidden scale invariance, is validated by computer simulations of the standard 12-6 Lennard-Jones system.

  20. Thermodynamics of freezing and melting

    NASA Astrophysics Data System (ADS)

    Pedersen, Ulf R.; Costigliola, Lorenzo; Bailey, Nicholas P.; Schrøder, Thomas B.; Dyre, Jeppe C.

    2016-08-01

    Although the freezing of liquids and melting of crystals are fundamental for many areas of the sciences, even simple properties like the temperature-pressure relation along the melting line cannot be predicted today. Here we present a theory in which properties of the coexisting crystal and liquid phases at a single thermodynamic state point provide the basis for calculating the pressure, density and entropy of fusion as functions of temperature along the melting line, as well as the variation along this line of the reduced crystalline vibrational mean-square displacement (the Lindemann ratio), and the liquid's diffusion constant and viscosity. The framework developed, which applies for the sizable class of systems characterized by hidden scale invariance, is validated by computer simulations of the standard 12-6 Lennard-Jones system.

  1. Applications of nonequilibrium melting concept to damage-accumulation processes

    SciTech Connect

    Lam, N.Q.; Okamoto, P.R.

    1998-01-01

    The authors recent study of crystalline-to-amorphous transformation led to the successful development of a unified thermodynamic description of disorder-induced amorphization and heat-induced melting, based on a generalized version of the Lindemann melting criterion. The generalized criterion requires that the melting temperature of a defective crystal decreases with increasing static atomic disorder. Hence, any crystal can melt at temperatures below the melting point of its perfect crystalline state when driven far from equilibrium by introducing critical amounts of misfitting solute atoms and lattice imperfections, radiation damage, and/or tensile stresses. This conceptual approach to nonequilibrium melting provides new insight into long-standing materials problems such as brittle fracture, embrittlement, and environmentally-induced cracking, for example irradiation-assisted stress corrosion cracking.

  2. Theory of melting at high pressures: Amending density functional theory with quantum Monte Carlo

    DOE PAGESBeta

    Shulenburger, L.; Desjarlais, M. P.; Mattsson, T. R.

    2014-10-01

    We present an improved first-principles description of melting under pressure based on thermodynamic integration comparing Density Functional Theory (DFT) and quantum Monte Carlo (QMC) treatments of the system. The method is applied to address the longstanding discrepancy between density functional theory (DFT) calculations and diamond anvil cell (DAC) experiments on the melting curve of xenon, a noble gas solid where van der Waals binding is challenging for traditional DFT methods. The calculations show excellent agreement with data below 20 GPa and that the high-pressure melt curve is well described by a Lindemann behavior up to at least 80 GPa, amore » finding in stark contrast to DAC data.« less

  3. Rational approximations to linear forms of exponentials and binomials

    PubMed Central

    Chudnovsky, G. V.

    1983-01-01

    Mahler proved the following quantitative result supplementing the Lindemann-Weierstrass theorem: ǀΣi=0nCieriǀ > H-n-ε for any distinct rational numbers r0,r1,..., rn and rational integers C0,C1,...,Cn with H = max0≤i≤n ǀCiǀ. We improve Mahler's estimate by replacing exponentials eri by linearly independent linear forms Li = Σ Lijesij with rational Lij,siji = 0,1,...,n. Similar results are obtained for binomials (a/b)ri or Σ Lij(a/b)sij with integers a,b and logǀbǀ/logǀaǀ > 1 - ε. The simplest examples of new numbers with the irrationality exponent “2 + ε” are sinh 1 or sin 1. PMID:16593320

  4. Electronic and structural properties of metallic microclusters

    SciTech Connect

    Maiti, A.

    1992-04-01

    The first part of this thesis presents a first-order pseudopotential calculation at T=O of the total energy of small sodium clusters of size N<800. The calculation is based on a local-pseudopotential scheme and local-density correlation and exchange. A temperature-size (T-N) phase-diagram is then derived using the T=O results and Lindemann`s criterion for melting. The phase-diagram contains three regions of stability: (1) a liquid (jellium) phase at temperatures above the melting line T{sub M}(N) where cluster-stability occurs at electronic magic numbers: (2) a phase related to complete geometrical shells of body-centered-cubic structure at temperatures below the melting line; and (3) a close-packed structure at very low temperatures and sufficiently large N. The melting line drops to T{sub M}(N)=O for N<65, where electronic magic numbers are stable even at T=O. The phase diagram reduces asymptotically to the known phases of sodium as N{yields}{infinity}, including the known martensitic transformation at T{approximately}5 K. The second and the last part of this thesis consists of a study of small-cluster many-body systems by means of an on-site ``local`` chemical potential which allows the continuous variation of local electron-density. This method yields a criterion to distinguish particular features of a small cluster that are likely to survive in the large-N thermodynamic limit from those discontinuities that arise only from finite-size effects.

  5. Glass formation and thermodynamics of supercooled monatomic liquids.

    PubMed

    Hoang, Vo Van; Odagaki, Takashi

    2011-06-01

    Atomic mechanism of glass formation of a supercooled simple monatomic liquid with Lennard-Jones-Gauss (LJG) interatomic potential is studied by molecular dynamics (MD) simulation. Supercooled and glassy states are obtained by cooling from the melt. Glassy state obtained at low temperatures is annealed for very long time, on the order of microsecond, and we find that glassy state remains unchanged and that the long-lived glassy state of a simple monatomic system in three dimensions is realized. We analyze the spatiotemporal properties of solid-like and liquid-like atoms that are defined by the Lindemann-like freezing criterion. The number of solid-like atoms, distributed throughout the liquid, increases with decreasing temperature toward glass transition and they form clusters. In the deeply supercooled region, almost all solid-like atoms form a single percolation cluster and its characteristic size increases sharply on further cooling. Glass formation in supercooled liquid occurs when a single percolation cluster of solid-like atoms involves a majority of atoms to form a relatively rigid solid phase. We also obtain several physical quantities of the system, including temperature dependence of mass density, Lindemann ratio, incoherent intermediate scattering function, α-relaxation time, evolution of radial distribution function, and local bond-pair orders detected by Honeycutt-Andersen analysis. We identify three characteristic temperatures related to the vitrification: a temperature at which crossover from liquid-like to solid-like dynamics occurs on cooling, the glass transition temperature, and the Vogel-Fulcher-Tammann temperature. Behavior of liquid-like atoms in glassy state has been analyzed and discussed. PMID:21553835

  6. A unified description of crystalline-to-amorphous transitions

    SciTech Connect

    Lam, N.Q.; Okamoto, P.R.; Devanathan, R. |; Meshii, M.

    1993-07-01

    Amorphous metallic alloys can now be synthesized by a variety of solid-state processes demonstrating the need for a more general approach to crystalline-to-amorphous (c-a) transitions. By focusing on static atomic displacements as a measure of chemical and topological disorder, we show that a unified description of c-a transformations can be based on a generalization of the phenomenological melting criterion proposed by Lindemann. The generalized version assumes that melting of a defective crystal occurs whenever the sum of thermal and static mean-square displacements exceeds a critical value identical to that for melting of the defect-free crystal. This implies that chemical or topological disorder measured by static displacements is thermodynamically equivalent to heating, and therefore that the melting temperature of the defective crystal will decrease with increasing amount of disorder. This in turn implies the existence of a critical state of disorder where the melting temperature becomes equal to a glass-transition temperature below which the metastable crystal melts to a glass. The generalized Lindemann melting criterion leads naturally to an interpretation of c-a transformations as defect-induced, low-temperature melting of critically disordered crystals. Confirmation of this criterion is provided by molecular-dynamics simulations of heat-induced melting and of defect-induced amorphization of intermetallic compounds caused either by the production of Frenkel pairs or anti-site defects. The thermodynamic equivalence between static atomic disorder and heating is reflected in the identical softening effects which they have on elastic properties and also in the diffraction analysis of diffuse scattering from disordered crystals, where the effect of static displacements appears as an artificially-enlarged thermal Debye-Waller factor. Predictions of this new, unified approach to melting and amorphization are compared with available experimental information.

  7. Simultaneous selection for yield-related traits and susceptibility to Fusarium head blight in spring wheat RIL population

    PubMed Central

    Wiśniewska, Halina; Surma, Maria; Krystkowiak, Karolina; Adamski, Tadeusz; Kuczyńska, Anetta; Ogrodowicz, Piotr; Mikołajczak, Krzysztof; Belter, Jolanta; Majka, Maciej; Kaczmarek, Zygmunt; Krajewski, Paweł; Sawikowska, Aneta; Lenc, Leszek; Baturo-Cieśniewska, Anna; Łukanowski, Aleksander; Góral, Tomasz; Sadowski, Czesław

    2016-01-01

    Fusarium head blight (FHB), caused by the fungal plant pathogen Fusarium, is a fungal disease that occurs in wheat and can cause significant yield and grain quality losses. The present paper examines variation in the resistance of spring wheat lines derived from a cross between Zebra and Saar cultivars. Experiments covering 198 lines and parental cultivars were conducted in three years, in which inoculation with Fusarium culmorum was applied. Resistance levels were estimated by scoring disease symptoms on kernels. In spite of a similar reaction of parents to F. culmorum infection, significant differentiation between lines was found in all the analyzed traits. Seven molecular markers selected as linked to FHB resistance QTLs gave polymorphic products for Zebra and Saar: Xgwm566, Xgwm46, Xgwm389, Xgwm533, Xgwm156, Xwmc238, and Xgwm341. Markers Xgwm389 and Xgwm533 were associated with the rate of Fusarium-damaged kernels (FDK) as well as with kernel weight per spike and thousand kernel weight in control plants. Zebra allele of marker Xwmc238 increased kernel weight per spike and thousand kernel weight both in control and infected plants, whereas Zebra allele of marker Xgwm566 reduced the percentage of FDK and simultaneously reduced the thousand kernel weight in control and infected plants. PMID:27162499

  8. Aromatized arborane/fernane hydrocarbons as biomarkers for cordaites

    NASA Astrophysics Data System (ADS)

    Auras, Stefan; Wilde, Volker; Scheffler, Kay; Hoernes, Stephan; Kerp, Hans; Püttmann, Wilhelm

    2006-12-01

    Previous palaeobotanical and palynological studies on coals from Euramerican Pennsylvanian (≡ Late Carboniferous) coal basins indicate a major change in coal-swamp floras, especially at the Westphalian Stephanian (≈Kasimovian Gzhelian, according to Geological Time Scale 2004) boundary. A flora dominated by arborescent lycophytes was replaced by a vegetation dominated by marattialean tree ferns in various Euramerican coal basins. Earlier combined palynological and organic geochemical studies on Westphalian/Stephanian coals and shales from the Saar-Nahe Basin (Germany) revealed that the distribution of aromatized arborane/fernane hydrocarbons in solvent extracts reflects the increasing importance of seed plants, especially cordaites (extinct group of gymnosperms), conifers and pteridosperms. However, the biological source of the precursor molecules could not be specified. To clarify if the arborane/fernane derivatives MATH, MAPH, DAPH 1, and DAPH 2 in Westphalian/Stephanian coals can be assigned to one of the three potential source plant groups, we analyzed coals, sediments and fossil plant remains from different Euramerican locations with respect to their biomarker composition and stable carbon isotopic composition. Thereby, stable carbon isotopic ratios showed only insignificant variations between Westphalian and Stephanian samples and proved to be an unsuitable tool to describe floral changes during the Westphalian/Stephanian of the Saar-Nahe Basin. In contrast, we were able to show for the first time that MATH, MAPH, DAPH 1 and DAPH 2 are prominent constituents only in extracts of cordaitean macrofossils and can therefore be regarded as biomarkers for this group of gymnosperms.

  9. New measurements of photospheric magnetic fields in late-type stars and emerging trends

    NASA Technical Reports Server (NTRS)

    Saar, S. H.; Linsky, J. L.

    1986-01-01

    The magnetic fields of late-type stars are measured using the method of Saar et al. (1986). The method includes radiative transfer effects and compensation for line blending; the photospheric magnetic field parameters are derived by comparing observed and theoretical line profiles using an LTE code that includes line saturation and full Zeeman pattern. The preliminary mean active region magnetic field strengths (B) and surface area coverages for 20 stars are discussed. It is observed that there is a trend of increasing B towards the cooler dwarfs stars, and the linear correlation between B and the equipartition value of the magnetic field strength suggests that the photospheric gas pressure determines the photospheric magnetic field strengths. A tendency toward larger filling factors at larger stellar angular velocities is also detected.

  10. European Sedimentary Basins: Deciphering Palaeozoic intra-Pangea Wrench Faulting

    NASA Astrophysics Data System (ADS)

    Aubele, K.; Bachtadse, V.; Muttoni, G.; Ronchi, A.; Durand, M.

    2012-04-01

    Thick sections of sedimentary deposits act as tape recorders of the geomagnetic field over time and allow high resolution paleogeographic reconstructions. Over the past years, we were able to put together a considerable paleomagnetic data set collected from Early Permian and Mesozoic deposits in numerous sedimentary basins throughout Southwest Europe. This data set monitors relative block rotations about vertical axis in this area and thus provides convincing evidence for intra-Pangean wrench faulting in the Early Permian (~ 285-265 Ma). Here, we present previously processed data from Permian sedimentary sections from Southwest France and Sardinia together with data from the Saar-Nahe basin in West Germany. New data from the Permian/Triassic boundary from Sardinian sedimentary basins and data from Permian dyke swarms add further information to draw a more complete picture of the paleogeographic evolution of the Gondwana/Laurasia plate boundary and help to describe controversial intra-Pangean mobility and wrench faulting in the Early Permian.

  11. Spatial and temporal trends of metals and arsenic in German freshwater compartments.

    PubMed

    Fliedner, Annette; Rüdel, Heinz; Knopf, Burkhard; Weinfurtner, Karlheinz; Paulus, Martin; Ricking, Mathias; Koschorreck, Jan

    2014-04-01

    Cadmium, lead, mercury, copper, nickel, zinc, and arsenic were analyzed in suspended particulate matter (SPM), zebra mussels, and bream sampled yearly under the program of the German Environmental Specimen Bank (ESB) in the rivers Rhine, Elbe, Danube, Saar, Mulde, and Saale and in Lake Belau. Temporal and spatial trends were analyzed, correlations between metal levels in different specimen types assessed, and sampling sites ranked according to their metal levels by calculating a Multi-Metal Index (MMI) for every specimen type and site. SPM: Highest metal loads were detected in Mulde, Saale, and Elbe right downstream of the Saale confluence. In the Elbe, metal loads in SPM were mostly highest in the upper and middle section of the river while in Rhine and Saar concentrations increased downstream. Temporal trends since 2005 were detected only at three sites. Zebra mussel: MMIs were highest in the tidal section of the Elbe and the lower Rhine and lowest in Lake Belau and the upper Danube. Different temporal trends were detected since the early 1990s depending on site and metal. Bream: As, Pb, Cu, and Hg were analyzed in muscle tissue and Pb, Cd, Cu, and Zn in liver. For both tissues, MMIs were highest in Mulde and Saale and the lower and middle Elbe. Since the early 1990s, Hg, Pb, and Cu decreased in bream muscle at many sites while As increased at 6 of the 17 sites. The findings indicate that Hg, Pb, and Cu have obviously decreased in many freshwater ecosystems in recent years, whereas As and Ni levels have increased at several sites. Metal levels and temporal trends mostly differed between the specimen types under investigation and only few correlations between specimen types were detected. This underlines the importance of including different components of an ecosystem when assessing its environmental quality. PMID:24407788

  12. Home-based care, technology, and the maintenance of selves.

    PubMed

    Parks, Jennifer A

    2015-06-01

    In this paper, I will argue that there is a deep connection between home-based care, technology, and the self. Providing the means for persons (especially older persons) to receive care at home is not merely a kindness that respects their preference to be at home: it is an important means of extending their selfhood and respecting the unique selves that they are. Home-based technologies like telemedicine and robotic care may certainly be useful tools in providing care for persons at home, but they also have important implications for sustaining selfhood in ways that are of value to individuals and those who care for them. I will argue, by appealing to Hilde Lindemann's notion of "holding" persons' identities in place, that technological interventions are not only useful tools for improving and sustaining health and good care at home, but that they may also help to extend our personal identities and relational capacities in ways that are practically and ethically good. Because of these important goods, I will claim that there is a prima facie moral duty to do this "holding" work and that it is best done by family members and loved ones who are well suited to the job because of their history and relationship with the individual that needs to be "held" in place.

  13. Dynamic glass transition in two dimensions.

    PubMed

    Bayer, M; Brader, J M; Ebert, F; Fuchs, M; Lange, E; Maret, G; Schilling, R; Sperl, M; Wittmer, J P

    2007-07-01

    The question of the existence of a structural glass transition in two dimensions is studied using mode coupling theory (MCT). We determine the explicit d dependence of the memory functional of mode coupling for one-component systems. Applied to two dimensions we solve the MCT equations numerically for monodisperse hard disks. A dynamic glass transition is found at a critical packing fraction phi(c)d=2 approximately equal 0.697 which is above phi(c)d=3 approximately equal 0.516 by about 35%. Phi(c)d scales approximately with phi(rcp)d, the value for random close packing, at least for d=2, 3. Quantities characterizing the local, cooperative "cage motion" do not differ much for d=2 and d=3, and we, e.g., find the Lindemann criterion for the localization length at the glass transition. The final relaxation obeys the superposition principle, collapsing remarkably well onto a Kohlrausch law. The d=2 MCT results are in qualitative agreement with existing results from Monte Carlo and molecular dynamics simulations. The mean-squared displacements measured experimentally for a quasi-two-dimensional binary system of dipolar hard spheres can be described satisfactorily by MCT for monodisperse hard disks over four decades in time provided the experimental control parameter Gamma (which measures the strength of dipolar interactions) and the packing fraction phi are properly related to each other.

  14. Theory of mass-independent fractionation of isotopes, phase space accessibility, and a role of isotopic symmetry.

    PubMed

    Marcus, Rudolph A

    2013-10-29

    Key experimental and theoretical features of mass-independent fractionation (MIF) of isotopes, also known as the η-effect, are summarized, including its difference from the exit channel zero-point energy difference effect. The latter exactly cancels in the MIF. One key experimental result is that the MIF for O3 formation is a low-pressure phenomenon and, moreover, that it decreases with increasing pressure of third bodies at pressures far below the "Lindemann fall-off" pressures for three-body recombination of O and O2. A possible origin of the MIF is discussed in terms of a role for isotopologue symmetry in intramolecular energy sharing. An explanation is suggested for the large difference in the fall-off pressure for recombination and the pressure for a large decrease in MIF, in terms of a difference between deactivating collisions and what we term here "symmetry-changing collisions". It is noted that the theory of the MIF involves four recombination rate constants and an equilibrium constant, for each trace isotope, seven rate constants in all and two equilibrium constants. A conceptual shortcut is noted. Experimental and computational information that may provide added insight into the MIF mechanism and tests is described.

  15. Effect of grain size on the melting point of confined thin aluminum films

    SciTech Connect

    Wejrzanowski, Tomasz; Lewandowska, Malgorzata; Sikorski, Krzysztof; Kurzydlowski, Krzysztof J.

    2014-10-28

    The melting of aluminum thin film was studied by a molecular dynamics (MD) simulation technique. The effect of the grain size and type of confinement was investigated for aluminum film with a constant thickness of 4 nm. The results show that coherent intercrystalline interface suppress the transition of solid aluminum into liquid, while free-surface gives melting point depression. The mechanism of melting of polycrystalline aluminum thin film was investigated. It was found that melting starts at grain boundaries and propagates to grain interiors. The melting point was calculated from the Lindemann index criterion, taking into account only atoms near to grain boundaries. This made it possible to extend melting point calculations to bigger grains, which require a long time (in the MD scale) to be fully molten. The results show that 4 nm thick film of aluminum melts at a temperature lower than the melting point of bulk aluminum (933 K) only when the grain size is reduced to 6 nm.

  16. Investigation of Atom-Molecule Coherence in a Bose-Einstein Condensate

    NASA Astrophysics Data System (ADS)

    Hodby, Eleanor; Thompson, Sarah; Claussen, Neil; Wieman, Carl

    2003-05-01

    Recent experiments with a Rb-85 BEC have demonstrated a remarkable quantum superposition between two distinct chemical species: free atoms and weakly bound molecules [1]. We present further investigations of the coherent atom-molecule oscillations observed in this unique system. The oscillations are excited by two rapid magnetic field pulses close to a Feshbach resonance. The frequencies and damping rates of the oscillations have been measured as a function of the magnetic field between the pulses. The frequency measurements provide the most precise determination of the position and width of the Feshbach resonance to date [2]. The damping rate is consistent with a dephasing of the atom-molecule oscillation across the condensate caused by the magnetic field gradient of the trapping potential. Close to the Feshbach resonance we have observed evidence for a second, density-dependent damping process. [1] E.A. Donley et al., Nature 417, 529 (2001); [2] N.R. Claussen et al., (submitted) We acknowledge valuable contributions to this work from E.A.Donley and S.Kokkelmans, and funding from ONR, NSF, Lindemann Trust (EH) and an ARO-MURI fellowship (ST).

  17. Composition-dependent melting behaviour of NaxK55-x core-shell nanoalloys

    NASA Astrophysics Data System (ADS)

    Asgari, Mehdi; Behnejad, Hassan; Fortunelli, Alessandro

    2014-11-01

    Molecular dynamics simulations at constant temperature are performed to investigate melting-like transition in Na13K42, Na19K36 and Na26K29 nanoalloys using a second-moment-approximation tight-binding analytic potential to calculate the forces on the constituent atoms. A weighted histogram analysis method is employed to remove non-ergodicity issues due to the complex potential energy surface of these nanoalloys. The heat capacity shows three distinctive steps in melting for Na13K42, while Na26K29 and Na19K36 have two-step and one-step melting transition, respectively. The steepest descent method is used to quench the configurations in a given interval during the simulation and also study the isomerisation processes occurring at different temperatures. Analysing the configuration energies of quenched structures for the entire nanoalloy and the core atoms separately gives more details about the melting mechanism. The Lindemann parameter is also calculated at several temperatures during the simulation which shows a gradual increase for Na13K42 and Na26K29 while a sharp change is observed for Na19K36. These findings are in agreement with the multi-step nature of the phase transition in Na13K42 and Na26K29 and one-step melting of the Na19K36 magic composition.

  18. Retrotransposition and Cell-to-Cell Transfer of Foamy Viruses

    PubMed Central

    Heinkelein, Martin; Rammling, Matthias; Juretzek, Thomas; Lindemann, Dirk; Rethwilm, Axel

    2003-01-01

    A remarkable feature of the prototype foamy virus (PFV) replication pathway has been reported to consist of the ability to retrotranspose intracellularly with high efficiency (M. Heinkelein, T. Pietschmann, G. Jármy, M. Dressler, H. Imrich, J. Thurow, D. Lindemann, M. Bock, A. Moebes, J. Roy, O. Herchenröder, and A. Rethwilm, EMBO J. 19:3436-3345, 2000). PFV intracellular retrotransposition (IRT) was reported to be enhanced by coexpression of fusion-defective envelope protein. To investigate the possibility of cell-to-cell transfer of PFV genomes, which could mimic IRT, we performed cocultivation experiments with cells transfected with an IRT-competent and marker gene-expressing PFV vector together with cells expressing a different marker and measured cells positive for both markers. The findings corroborated the initial report on IRT of Env-deficient PFV. Furthermore, they indicated that viral cores that have incorporated fusion-deficient Env can be transferred from cell to cell in a cell type-specific manor. One possible explanation consists of a minor alternative cleavage site in Env that can be used to expose the fusion peptide of the Env transmembrane protein, which appears to be required for virus uptake. PMID:14557671

  19. Crossover from three-dimensional to two-dimensional vortex fluctuations in the irreversibility line of the Y{sub 1{minus}{ital x}}Pr{sub {ital x}}Ba{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} (0{le}{ital x}{le}0.55) system

    SciTech Connect

    Almasan, C.C.; Maple, M.B.

    1996-02-01

    It is shown that the temperature dependence of the irreversibility line {ital B}({ital T}{asterisk}) of the Y{sub 1{minus}{ital x}}Pr{sub {ital x}}Ba{sub 2}Cu{sub 3}O{sub 6.97} (0{le}{ital x}{le}0.55) system, inferred from magnetoresistance measurements, can be described by a Lindemann-type model of a vortex-solid{endash}vortex-fluid phase transition triggered by vortex fluctuations. In this model, the previously observed transition in {ital B}({ital T}{asterisk}) from a power-law temperature dependence near {ital T}{sub {ital c}} to a more rapid dependence below {ital T}{asterisk}/{ital T}{sub {ital c}}{approx_equal}0.6 can be accounted for in terms of a crossover from three-dimensional (3D) to two-dimensional (2D) vortex fluctuations. For different {ital x} values, a lower limit for the anisotropy ratio {gamma} and an upper limit for the crossover magnetic induction {ital B}{sub cr} above which 2D vortex fluctuations dominate were determined. {copyright} {ital 1996 The American Physical Society.}

  20. Reconciling simulated melting and ground-state properties of metals with a modified embedded-atom method potential.

    PubMed

    Sushko, G B; Verkhovtsev, A V; Kexel, Ch; Korol, A V; Schramm, S; Solov'yov, A V

    2016-04-13

    We propose a modification of the embedded-atom method-type potential aiming at reconciling simulated melting and ground-state properties of metals by means of classical molecular dynamics. Considering titanium, magnesium, gold, and platinum as case studies, we demonstrate that simulations performed with the modified force field yield quantitatively correctly both the melting temperature of the metals and their ground-state properties. It is shown that the accounting for the long-range interatomic interactions noticeably affects the melting point assessment. The introduced modification weakens the interaction at interatomic distances exceeding the equilibrium one by a characteristic vibration amplitude defined by the Lindemann criterion, thus allowing for the correct simulation of melting, while keeping its behavior in the vicinity of the ground state minimum. The modification of the many-body potential has a general nature and can be applicable to metals with different characteristics of the electron structure as well as for many different molecular and solid state systems experiencing phase transitions. PMID:26977922

  1. Radiation-induced crystalline-to-amorphous transition in intermetallic compounds of the Cu-Ti alloy system

    SciTech Connect

    Lam, N.Q.; Okamoto, P.R.; Devanathan, R. ); Sabochick, M.J. . Computer Applications Div.)

    1992-02-01

    Recent progress in molecular-dynamics studies of radiation-induced crystalline-to-amorphous transition in the ordered intermetallic compounds of the Cu-Ti system is discussed. The effect of irradiation was simulated by the generation of Frenkel pairs,which resulted in both the formation of stable point defects and chemical disorder upon defect recombination. The thermodynamic, structural and mechanical responses of the compounds during irradiation were determined by monitoring changes in the system potential energy, volume expansion, pair correlation function, diffraction patterns, and elastic constants. It was found that the intermetallics Cu{sub 4}Ti{sub 3}, CuTi, and CuTi{sub 2} could be rendered amorphous by the creation of Frenkel pairs, but Cu{sub 4}Ti could not, consistent with experimental observations during electron irradiation. However, the simulations showed that Cu{sub 4}Ti did become amorphous when clusters of Frenkel pairs were introduced, indicating that this compound may be susceptible to amorphization by heavy-ion bombardment. A generalization of the Lindemann criterion was used to develop a thermodynamic description of solid-state amorphization as a disorder- induced melting process.

  2. Specific heat capacity of nanoporous Al2O3

    NASA Astrophysics Data System (ADS)

    Huang, Cong-Liang; Feng, Yan-Hui; Zhang, Xin-Xin; Li, Jing; Wang, Ge

    2013-09-01

    Based on Lindemann's criterion, a specific heat capacity model for nanoporous material was proposed by defining the surface-atom layer, to take the surface atoms and the volume atoms separately into account. The height of the surface-atom layer was determined from the experiment, and results show that only the first layer atoms on the surface should be separately considered for nanoporous Al2O3. The shape factor of the pore was also introduced in the model with values between 2 (for cylindrical pore) and 3 (for spherical pore) to characterize the morphology of the pore. It turns out experimentally that the specific heat capacity of the analyzed nanoporous Al2O3 is much larger than that of the bulk, which can be interpreted as due to the fact that the surface atom plays a more important role than the volume one. And the smaller the radius and/or the larger the porosity, which lead to a larger surface-volume ratio, the larger the specific heat capacity becomes. The nanoporous material could be a better heat storage medium than the corresponding bulk with a much lighter weight, smaller volume but higher heat storage capacity.

  3. Predicting pressure-dependent unimolecular rate constants using variational transition state theory with multidimensional tunneling combined with system-specific quantum RRK theory: a definitive test for fluoroform dissociation.

    PubMed

    Bao, Junwei Lucas; Zhang, Xin; Truhlar, Donald G

    2016-06-22

    Understanding the falloff in rate constants of gas-phase unimolecular reaction rate constants as the pressure is lowered is a fundamental problem in chemical kinetics, with practical importance for combustion, atmospheric chemistry, and essentially all gas-phase reaction mechanisms. In the present work, we use our recently developed system-specific quantum RRK theory, calibrated by canonical variational transition state theory with small-curvature tunneling, combined with the Lindemann-Hinshelwood mechanism, to model the dissociation reaction of fluoroform (CHF3), which provides a definitive test for falloff modeling. Our predicted pressure-dependent thermal rate constants are in excellent agreement with experimental values over a wide range of pressures and temperatures. The present validation of our methodology, which is able to include variational transition state effects, multidimensional tunneling based on the directly calculated potential energy surface along the tunneling path, and torsional and other vibrational anharmonicity, together with state-of-the-art reaction-path-based direct dynamics calculations, is important because the method is less empirical than models routinely used for generating full mechanisms, while also being simpler in key respects than full master equation treatments and the full reduced falloff curve and modified strong collision methods of Troe. PMID:27273734

  4. On the stability of Rhenium in High Pressure Experiments

    NASA Astrophysics Data System (ADS)

    Verma, A. K.; Rao, R. S.; Godwal, B. K.; Sikka, S. K.

    2001-06-01

    Shock Hugoniots of Al, Cu, Ta, Mo, and W up to 1 TPa were reported by Wang et al[Phys. Rev. Lett.,84, 3220 (2000)], in which the Helmholtz free energy was obtained from the mean field theories using the ab initio 0K electronic structure calculations. However, the irreversible heating along the shock Hugoniot leads to melting at pressures below 0.5 TPa. Hence we calculated the Hugoniots in the liquid phase based on the CRIS (corrected rigid spheres) model to estimate the effect of liquid disorder. The required 0K isotherm of the solid phase was obtained by the full potential LAPW method with GGA for exchange-correlation. The melting curve under pressure was estimated according to dislocation mediated melting, and compared with that based on Lindemann law. The solid and liquid phase Hugoniots were calculated for Al, Mo, and Be. The shock melting was found to take place at about 0.1 TPa in Al, 0.4 TPa in Mo, and 0.15 TPa in Be. Our solid phase Hugoniot calculations are in agreement with those of Wang et al, but substantial effects of melting have been obtained; especially the shock temperatures are significantly different. Comparison with available shock data reveals that there is need for more experimental shock temperature data in resolving this disagreement.

  5. Theoretical Solid and Liquid State Shock Hugoniots

    NASA Astrophysics Data System (ADS)

    Verma, A. K.; Rao, R. S.; Godwal, B. K.; Sikka, S. K.

    2001-06-01

    Shock Hugoniots of Al, Cu, Ta, Mo, and W up to 1 TPa were reported by Wang et al[Phys. Rev. Lett.,84, 3220 (2000)], in which the Helmholtz free energy was obtained from the mean field theories using the ab initio 0K electronic structure calculations. However, the irreversible heating along the shock Hugoniot leads to melting at pressures below 0.5 TPa. Hence we calculated the Hugoniots in the liquid phase based on the CRIS (corrected rigid spheres) model to estimate the effect of liquid disorder. The required 0K isotherm of the solid phase was obtained by the full potential LAPW method with GGA for exchange-correlation. The melting curve under pressure was estimated according to dislocation mediated melting, and compared with that based on Lindemann law. The solid and liquid phase Hugoniots were calculated for Al, Mo, and Be. The shock melting was found to take place at about 0.1 TPa in Al, 0.4 TPa in Mo, and 0.15 TPa in Be. Our solid phase Hugoniot calculations are in agreement with those of Wang et al, but substantial effects of melting have been obtained; especially the shock temperatures are significantly different. Comparison with available shock data reveals that there is need for more experimental shock temperature data in resolving this disagreement.

  6. Freezing and melting line invariants of the Lennard-Jones system.

    PubMed

    Costigliola, Lorenzo; Schrøder, Thomas B; Dyre, Jeppe C

    2016-06-01

    The invariance of several structural and dynamical properties of the Lennard-Jones (LJ) system along the freezing and melting lines is interpreted in terms of isomorph theory. First the freezing/melting lines of the LJ system are shown to be approximated by isomorphs. Then we show that the invariants observed along the freezing and melting isomorphs are also observed on other isomorphs in the liquid and crystalline phases. The structure is probed by the radial distribution function and the structure factor and dynamics are probed by the mean-square displacement, the intermediate scattering function, and the shear viscosity. Studying these properties with reference to isomorph theory explains why the known single-phase melting criteria hold, e.g., the Hansen-Verlet and the Lindemann criteria, and why the Andrade equation for the viscosity at freezing applies, e.g., for most liquid metals. Our conclusion is that these empirical rules and invariants can all be understood from isomorph theory and that the invariants are not peculiar to the freezing and melting lines, but hold along all isomorphs. PMID:27186598

  7. Home-based care, technology, and the maintenance of selves.

    PubMed

    Parks, Jennifer A

    2015-06-01

    In this paper, I will argue that there is a deep connection between home-based care, technology, and the self. Providing the means for persons (especially older persons) to receive care at home is not merely a kindness that respects their preference to be at home: it is an important means of extending their selfhood and respecting the unique selves that they are. Home-based technologies like telemedicine and robotic care may certainly be useful tools in providing care for persons at home, but they also have important implications for sustaining selfhood in ways that are of value to individuals and those who care for them. I will argue, by appealing to Hilde Lindemann's notion of "holding" persons' identities in place, that technological interventions are not only useful tools for improving and sustaining health and good care at home, but that they may also help to extend our personal identities and relational capacities in ways that are practically and ethically good. Because of these important goods, I will claim that there is a prima facie moral duty to do this "holding" work and that it is best done by family members and loved ones who are well suited to the job because of their history and relationship with the individual that needs to be "held" in place. PMID:25787720

  8. Reconciling simulated melting and ground-state properties of metals with a modified embedded-atom method potential.

    PubMed

    Sushko, G B; Verkhovtsev, A V; Kexel, Ch; Korol, A V; Schramm, S; Solov'yov, A V

    2016-04-13

    We propose a modification of the embedded-atom method-type potential aiming at reconciling simulated melting and ground-state properties of metals by means of classical molecular dynamics. Considering titanium, magnesium, gold, and platinum as case studies, we demonstrate that simulations performed with the modified force field yield quantitatively correctly both the melting temperature of the metals and their ground-state properties. It is shown that the accounting for the long-range interatomic interactions noticeably affects the melting point assessment. The introduced modification weakens the interaction at interatomic distances exceeding the equilibrium one by a characteristic vibration amplitude defined by the Lindemann criterion, thus allowing for the correct simulation of melting, while keeping its behavior in the vicinity of the ground state minimum. The modification of the many-body potential has a general nature and can be applicable to metals with different characteristics of the electron structure as well as for many different molecular and solid state systems experiencing phase transitions.

  9. "Burn catatonia": a case report and literature review.

    PubMed

    Quinn, Davin Kenneth

    2014-01-01

    Thermal injuries have been recognized to cause significant neuropsychiatric symptoms and disability in their sufferers since the middle of the 20th century, when Drs. Stanley Cobb and Erich Lindemann of the Massachusetts General Hospital (Boston, MA) studied survivors of the Cocoanut Grove nightclub fire in Boston. Although "burn encephalopathy" or burn-induced delirium is a common occurrence in the acute phase, catatonia in burn patients is not often reported. This report describes a case of malignant catatonia occurring in a 51-year-old male patient acutely suffering from burns acquired in a chemical explosion, effectively treated with reinstitution of a selective serotonin reuptake inhibitor. The literature on burn encephalopathy and catatonia in burns is reviewed. Few examples of burn catatonia exist. Burn encephalopathy is common, and may occur in patients with low TBSA burns such as described in the case above. Descriptions of burn encephalopathy are numerous, but have not included catatonia as a possible etiology. Catatonia in burn patients as an etiology of burn encephalopathy is likely underrecognized. Clinicians should be aware of the possibility of catatonia when a patient's confusional state after a burn does not respond to usual care.

  10. Physics in Oxford, 1839-1939 - Laboratories, Learning, and College Life

    NASA Astrophysics Data System (ADS)

    Fox, Robert; Gooday, Graeme

    2005-08-01

    Physics in Oxford 1839-1939 offers a challenging new interpretation of pre-war physics at the University of Oxford, which was far more dynamic than most historians and physicists have been prepared to believe. It explains, on the one hand, how attempts to develop the University's Clarendon Laboratory by Robert Clifton, Professor of Experimental Philosophy from 1865 to 1915, were thwarted by academic politics and funding problems, and latterly by Clifton's idiosyncratic concern with precision instrumentation. Conversely, by examining in detail the work of college fellows and their laboratories, the book reconstructs the decentralized environment that allowed physics to enter on a period of conspicuous vigor in the late nineteenth and early twentieth centuries, especially at the characteristically Oxonian intersections between physics, physical chemistry, mechanics, and mathematics. Whereas histories of Cambridge physics have tended to focus on the self-sustaining culture of the Cavendish Laboratory, it was Oxford's college-trained physicists who enabled the discipline to flourish in due course in university as well as college facilities, notably under the newly appointed professors, J. S. E. Townsend from 1900 and F. A. Lindemann from 1919. This broader perspective allows us to understand better the vitality with which physicists in Oxford responded to the demands of wartime research on radar and techniques relevant to atomic weapons and laid the foundations for the dramatic post-war expansion in teaching and research that has endowed Oxford with one of the largest and most dynamic schools of physics in the world.

  11. Predicting pressure-dependent unimolecular rate constants using variational transition state theory with multidimensional tunneling combined with system-specific quantum RRK theory: a definitive test for fluoroform dissociation.

    PubMed

    Bao, Junwei Lucas; Zhang, Xin; Truhlar, Donald G

    2016-06-22

    Understanding the falloff in rate constants of gas-phase unimolecular reaction rate constants as the pressure is lowered is a fundamental problem in chemical kinetics, with practical importance for combustion, atmospheric chemistry, and essentially all gas-phase reaction mechanisms. In the present work, we use our recently developed system-specific quantum RRK theory, calibrated by canonical variational transition state theory with small-curvature tunneling, combined with the Lindemann-Hinshelwood mechanism, to model the dissociation reaction of fluoroform (CHF3), which provides a definitive test for falloff modeling. Our predicted pressure-dependent thermal rate constants are in excellent agreement with experimental values over a wide range of pressures and temperatures. The present validation of our methodology, which is able to include variational transition state effects, multidimensional tunneling based on the directly calculated potential energy surface along the tunneling path, and torsional and other vibrational anharmonicity, together with state-of-the-art reaction-path-based direct dynamics calculations, is important because the method is less empirical than models routinely used for generating full mechanisms, while also being simpler in key respects than full master equation treatments and the full reduced falloff curve and modified strong collision methods of Troe.

  12. Nonequilibrium melting and crystallization of a model Lennard-Jones system.

    PubMed

    Luo, Sheng-Nian; Strachan, Alejandro; Swift, Damian C

    2004-06-22

    Nonequilibrium melting and crystallization of a model Lennard-Jones system were investigated with molecular dynamics simulations to quantify the maximum superheating/supercooling at fixed pressure, and over-pressurization/over-depressurization at fixed temperature. The temperature and pressure hystereses were found to be equivalent with regard to the Gibbs free energy barrier for nucleation of liquid or solid. These results place upper bounds on hysteretic effects of solidification and melting in high heating- and strain-rate experiments such as shock wave loading and release. The authors also demonstrate that the equilibrium melting temperature at a given pressure can be obtained directly from temperatures at the maximum superheating and supercooling on the temperature hysteresis; this approach, called the hysteresis method, is a conceptually simple and computationally inexpensive alternative to solid-liquid coexistence simulation and thermodynamic integration methods, and should be regarded as a general method. We also found that the extent of maximum superheating/supercooling is weakly pressure dependent, and the solid-liquid interfacial energy increases with pressure. The Lindemann fractional root-mean-squared displacement of solid and liquid at equilibrium and extreme metastable states is quantified, and is predicted to remain constant (0.14) at high pressures for solid at the equilibrium melting temperature. PMID:15268198

  13. Computer simulation of flagellar movement X: doublet pair splitting and bend propagation modeled using stochastic dynein kinetics.

    PubMed

    Brokaw, Charles J

    2014-04-01

    Experimental observations on cyclic splitting and bending by a flagellar doublet pair are modeled using forces obtained from a model for dynein mechanochemistry, based on ideas introduced by Andrew Huxley and Terrill Hill and extended previously for modeling flagellar movements. The new feature is elastic attachment of dynein to the A doublet, which allows movement perpendicular to the A doublet and provides adhesive force that can strain attached dyneins. This additional strain influences the kinetics of dynein attachment and detachment. Computations using this dynein model demonstrate that very simple and realistic ideas about dynein mechanochemistry are sufficient for explaining the separation and reattachment seen experimentally with flagellar doublet pairs. Additional simulations were performed after adding a "super-adhesion" elasticity. This elastic component is intended to mimic interdoublet connections, normally present in an intact axoneme, that would prevent visible splitting but allow sufficient separation to cause dynein detachment and cessation of shear force generation. This is the situation envisioned by Lindemann's "geometric clutch" hypothesis for control of dynein function in flagella and cilia. The simulations show abrupt disengagement of the "clutch" at one end of a bend, and abrupt reengagement of the "clutch" at the other end of a bend, ensuring that active sliding is only operating where it will cause bend propagation from base to tip.

  14. Fostering Nurses' Moral Agency and Moral Identity: The Importance of Moral Community.

    PubMed

    Liaschenko, Joan; Peter, Elizabeth

    2016-09-01

    It may be the case that the most challenging moral problem of the twenty-first century will be the relationship between the individual moral agent and the practices and institutions in which the moral agent is embedded. In this paper, we continue the efforts that one of us, Joan Liaschenko, first called for in 1993, that of using feminist ethics as a lens for viewing the relationship between individual nurses as moral agents and the highly complex institutions in which they do the work of nursing. Feminist ethics, with its emphasis on the inextricable relationship between ethics and politics, provides a useful lens to understand the work of nurses in context. Using Margaret Urban Walker's and Hilde Lindemann's concepts of identity, relationships, values, and moral agency, we argue that health care institutions can be moral communities and profoundly affect the work and identity and, therefore, the moral agency of all who work within those structures, including nurses. Nurses are not only shaped by these organizations but also have the power to shape them. Because moral agency is intimately connected to one's identity, moral identity work is essential for nurses to exercise their moral agency and to foster moral community in health care organizations. We first provide a brief history of nursing's morally problematic relationship with institutions and examine the impact institutional master narratives and corporatism exert today on nurses' moral identities and agency. We close by emphasizing the significance of ongoing dialogue in creating and sustaining moral communities, repairing moral identities, and strengthening moral agency.

  15. Silane-initiated nucleation in chemically active plasmas: validation of density functionals, mechanisms, and pressure-dependent variational transition state calculations.

    PubMed

    Bao, Junwei Lucas; Truhlar, Donald G

    2016-04-21

    The growth of anionic silicon hydride clusters is a critically important process in nanodusty plasmas. In the current study, we focus on the formation of homologs of silylene (Sin+1H2n+2(-), n = 3, 4) and silyl (SinH2n+1(-), n = 4, 5) anions via anion-neutral reaction pathways. Species like silyl or silylene anions and their related elementary reactions, which are involved in the formation of silicon hydride clusters, were not used in developing exchange-correlation (xc) density functionals (i.e., they were not included in the training set of semiempirical density functionals); therefore, we explored the accuracy of various widely used xc density functionals based on reaction energies and barrier heights. Among the 21 density functionals we tested, M06-2X has the best performance for a hybrid functional, and MN15-L has the best performance for a local functional. Thermal rate constants of the elementary reactions involved in the reaction mechanism are calculated using M06-2X and multistructural canonical variational transition state theory with the small-curvature tunneling approximation (MS-CVT/SCT). The pressure dependence of unimolecular isomerization reactions is treated with system-specific quantum RRK theory (SS-QRRK) and the Lindemann-Hinshelwood mechanism.

  16. Quantum hexatic order in two-dimensional dipolar and charged fluids

    NASA Astrophysics Data System (ADS)

    Bruun, Georg M.; Nelson, David R.

    2014-03-01

    Recent advances in cold atom experimentation suggest that studies of quantum two-dimensional melting of dipolar molecules, with dipoles aligned perpendicular to ordering plane, may be on the horizon. An intriguing aspect of this problem is that two-dimensional classical aligned dipoles (already studied in great detail in soft matter experiments on magnetic colloids) are known to melt via a two-stage process, with an intermediate hexatic phase separating the usual crystal and isotropic fluid phases. We estimate here the effect of quantum fluctuations on this hexatic phase, for both dipolar systems and charged Wigner crystals. Our approximate phase diagrams rely on a pair of Lindemann criteria, suitably adapted to deal with the effects of thermal fluctuations in two dimensions. As part of our analysis, we determine the phonon spectra of quantum particles on a triangular lattice interacting with repulsive 1/r3 and 1/r potentials. A large softening of the transverse and longitudinal phonon frequencies, due to both lattice effects and quantum fluctuations, plays a significant role in our analysis. The hexatic phase is predicted to survive down to very low temperatures.

  17. Mode couplings and resonance instabilities in dust clusters.

    PubMed

    Qiao, Ke; Kong, Jie; Oeveren, Eric Van; Matthews, Lorin S; Hyde, Truell W

    2013-10-01

    The normal modes for three to seven particle two-dimensional (2D) dust clusters in a complex plasma are investigated using an N-body simulation. The ion wakefield downstream of each particle is shown to induce coupling between horizontal and vertical modes. The rules of mode coupling are investigated by classifying the mode eigenvectors employing the Bessel and trigonometric functions indexed by order integers (m, n). It is shown that coupling only occurs between two modes with the same m and that horizontal modes having a higher shear contribution exhibit weaker coupling. Three types of resonances are shown to occur when two coupled modes have the same frequency. Discrete instabilities caused by both the first and third type of resonances are verified and instabilities caused by the third type of resonance are found to induce melting. The melting procedure is observed to go through a two-step process with the solid-liquid transition closely obeying the Lindemann criterion. PMID:24229289

  18. Structural evolution of proteinlike heteropolymers

    NASA Astrophysics Data System (ADS)

    Nelson, Erik D.; Grishin, Nick V.

    2014-12-01

    The biological function of a protein often depends on the formation of an ordered structure in order to support a smaller, chemically active configuration of amino acids against thermal fluctuations. Here we explore the development of proteins evolving to satisfy this requirement using an off-lattice polymer model in which monomers interact as low resolution amino acids. To evolve the model, we construct a Markov process in which sequences are subjected to random replacements, insertions, and deletions and are selected to recover a predefined minimum number of solid-ordered monomers using the Lindemann melting criterion. We show that polymers generated by this process consistently fold into soluble, ordered globules of similar length and complexity to small protein motifs. To compare the evolution of the globules with proteins, we analyze the statistics of amino acid replacements, the dependence of site mutation rates on solvent exposure, and the dependence of structural distance on sequence distance for homologous alignments. Despite the simplicity of the model, the results display a surprisingly close correspondence with protein data.

  19. Kinetics of trans-cis isomerization in azobenzene dimers at an air-water interface

    SciTech Connect

    Kumar, Bharat; Suresh, K. A.

    2009-08-15

    We have studied the kinetics of trans to cis isomerization under the illumination of ultraviolet light, in the Langmuir monolayer of mesogenic azobenzene dimer, bis-[5-(4{sup '}-n-dodecyloxy benzoyloxy)-2-(4{sup ''}-methylphenylazo)phenyl] adipate, at an air-water interface. We find that the trans to cis isomerization reaction of the molecules in the monolayer shows deviation from the first-order kinetics unlike those reported on Langmuir monolayers of azobenzene molecules. We attribute the deviation from first-order kinetics to the simultaneous photoisomerization of trans isomers to form cis isomers and the reverse thermal isomerization of cis isomers to form trans isomers. Our analysis of the rate of change of mole fraction of trans isomers to form cis isomers indicates a first-order kinetics for trans to cis photoisomerization reaction and a second-order kinetics for cis to trans thermal isomerization reaction. This second-order kinetics mechanism is similar to the Lindemann-Hinshelwood mechanism for the unimolecular reactions at low concentration of reactants. The formation of the activated cis isomer by collisions is a slow process as compared to the decay of the activated cis isomer to trans isomer in the liquid expanded phase. This results in the second-order kinetics for the thermal isomerization of cis isomers.

  20. Usutu virus in Italy: an emergence or a silent infection?

    PubMed

    Savini, Giovanni; Monaco, Federica; Terregino, Calogero; Di Gennaro, Annapia; Bano, Luca; Pinoni, Chiara; De Nardi, Roberta; Bonilauri, Paolo; Pecorari, Monica; Di Gialleonardo, Luigina; Bonfanti, Lebana; Polci, Andrea; Calistri, Paolo; Lelli, Rossella

    2011-08-01

    A two year study (2008-2009) was carried out to monitor the Usutu virus (USUV) circulation in Italy. Sentinel horses and chickens, wild birds and mosquitoes were sampled and tested for the presence of USUV and USUV antibodies within the WND National Surveillance plan. Seroconversion evidenced in sentinel animals proved that in these two years the virus has circulated in Tuscany, Emilia Romagna, Veneto and Friuli Venezia Giulia regions. In Veneto USUV caused a severe blackbird die-off disease involving at least a thousand birds. Eleven viral strains were detected in organs of 9 blackbirds (52.9%) and two magpies (0.5%) originating from Veneto and Emilia Romagna regions. USUV was also detected in a pool of Culex pipiens caught in Tuscany. According to the alignment of the NS5 partial sequences, no differences between the Italian USUV strains isolated from Veneto, Friuli and Emilia Romagna regions were observed. The Italian North Eastern strain sequences were identical to those of the strain detected in the brain of a human patient and shared a high similarity with the isolates from Vienna and Budapest. Conversely, there were few differences between the Italian strains which circulated in the North Eastern regions and the USUV strain detected in a pool of C. pipiens caught in Tuscany. A high degree of similarity at both nucleotide and amino acid level was also found when the full genome sequence of the Italian North Eastern isolate was compared with that of the strains circulating in Europe. The North Eastern Italian strain sequence exhibited 97% identity to the South African reference strain SAAR-1776. The deduced amino acid sequences of the Italian strain differed by 10 and 11 amino-acids from the Budapest and Vienna strains, respectively, and by 28 from the SAAR-1776 strain. According to this study two strains of USUVs are likely to have circulated in Italy between 2008 and 2009. They have developed strategies of adaptation and evolution to spread into new areas

  1. Defects and order in liquid crystal phases

    NASA Astrophysics Data System (ADS)

    Jain, Shilpa

    This thesis investigates the partial destruction of ordering in liquid crystalline systems due to the influence of defects and thermal fluctuations. The systems under consideration are hexagonal columnar crystals with crystalline order perpendicular to the columns, and two-dimensional smectics with order perpendicular to the layers. We first study the possibility of reentrant melting of a hexagonal columnar crystal of flexible charged polymers at high enough densities. The Lindemann criterion is employed in determining the melting point. Lattice fluctuations are calculated in the Debye model, and an analogy with the Abrikosov vortex lattice in superconductors is exploited in estimating both the elastic constants of the hexagonal lattice, and the appropriate Lindemann constant. We also discuss the unusual functional integral describing the statistical mechanics of a single polymer in an Einstein cage model using the path-integral formulation. A crossover as a function of an external field along the column axis is discussed as well. Next, we study defects in a columnar crystal in the form of vacancy/interstitial loops or strings of vacancies and interstitials bounded by column "heads" and "tails". These defect strings are oriented by the columnar lattice and can change size and shape by movement of the ends and forming kinks along the length. Hence an analysis in terms of directed living polymers is appropriate to study their size and shape distribution, volume fraction, etc. If the entropy of transverse fluctuations overcomes the string line tension in the crystalline phase, a string proliferation transition occurs, leading to a "supersolid" phase with infinitely long vacancy or interstitial strings. We estimate the wandering entropy and examine the behaviour in the transition regime. We also calculate numerically the line tension of various species of vacancies and interstitials in a triangular lattice for power-law potentials as well as for a modified Bessel

  2. Electronic and structural properties of metallic microclusters

    SciTech Connect

    Maiti, A.

    1992-04-01

    The first part of this thesis presents a first-order pseudopotential calculation at T=O of the total energy of small sodium clusters of size N<800. The calculation is based on a local-pseudopotential scheme and local-density correlation and exchange. A temperature-size (T-N) phase-diagram is then derived using the T=O results and Lindemann's criterion for melting. The phase-diagram contains three regions of stability: (1) a liquid (jellium) phase at temperatures above the melting line T{sub M}(N) where cluster-stability occurs at electronic magic numbers: (2) a phase related to complete geometrical shells of body-centered-cubic structure at temperatures below the melting line; and (3) a close-packed structure at very low temperatures and sufficiently large N. The melting line drops to T{sub M}(N)=O for N<65, where electronic magic numbers are stable even at T=O. The phase diagram reduces asymptotically to the known phases of sodium as N{yields}{infinity}, including the known martensitic transformation at T{approximately}5 K. The second and the last part of this thesis consists of a study of small-cluster many-body systems by means of an on-site local'' chemical potential which allows the continuous variation of local electron-density. This method yields a criterion to distinguish particular features of a small cluster that are likely to survive in the large-N thermodynamic limit from those discontinuities that arise only from finite-size effects.

  3. String-like collective atomic motion in the melting and freezing of nanoparticles.

    PubMed

    Zhang, Hao; Kalvapalle, Pranav; Douglas, Jack F

    2011-12-01

    The melting of a solid represents a transition between a solid state in which atoms are localized about fixed average crystal lattice positions to a fluid state that is characterized by relative atomic disorder and particle mobility so that the atoms wander around the material as a whole, impelled by the random thermal impulses of surrounding atoms. Despite the fundamental nature and practical importance of this particle delocalization transition, there is still no fundamental theory of melting and instead one often relies on the semi-phenomenological Lindemann-Gilvarry criterion to estimate roughly the melting point as an instability of the crystal lattice. Even the earliest simulations of melting in hexagonally packed hard discs by Alder and Wainwright indicated the active role of nonlocal collective atomic motions in the melting process, and here we utilize molecular dynamics (MD) simulation to determine whether the collective particle motion observed in melting has a similar geometrical form as those in recent studies of nanoparticle (NP) interfacial dynamics and the molecular dynamics of metastable glass-forming liquids. We indeed find string-like collective atomic motion in NP melting that is remarkably similar in form to the collective interfacial motions in NPs at equilibrium and to the collective motions found in the molecular dynamics of glass-forming liquids. We also find that the spatial localization and extent of string-like motion in the course of NP melting and freezing evolves with time in distinct ways. Specifically, the collective atomic motion propagates from the NP surface and from within the NP in melting and freezing, respectively, and the average string length varies smoothly with time during melting. In contrast, the string-like cooperative motion peaks in an intermediate stage of the freezing process, reflecting a general asymmetry in the dynamics of NP superheating and supercooling. PMID:21718061

  4. Nanothermodynamics of large iron clusters by means of a flat histogram Monte Carlo method

    NASA Astrophysics Data System (ADS)

    Basire, M.; Soudan, J.-M.; Angelié, C.

    2014-09-01

    The thermodynamics of iron clusters of various sizes, from 76 to 2452 atoms, typical of the catalyst particles used for carbon nanotubes growth, has been explored by a flat histogram Monte Carlo (MC) algorithm (called the σ-mapping), developed by Soudan et al. [J. Chem. Phys. 135, 144109 (2011), Paper I]. This method provides the classical density of states, gp(Ep) in the configurational space, in terms of the potential energy of the system, with good and well controlled convergence properties, particularly in the melting phase transition zone which is of interest in this work. To describe the system, an iron potential has been implemented, called "corrected EAM" (cEAM), which approximates the MEAM potential of Lee et al. [Phys. Rev. B 64, 184102 (2001)] with an accuracy better than 3 meV/at, and a five times larger computational speed. The main simplification concerns the angular dependence of the potential, with a small impact on accuracy, while the screening coefficients Sij are exactly computed with a fast algorithm. With this potential, ergodic explorations of the clusters can be performed efficiently in a reasonable computing time, at least in the upper half of the solid zone and above. Problems of ergodicity exist in the lower half of the solid zone but routes to overcome them are discussed. The solid-liquid (melting) phase transition temperature Tm is plotted in terms of the cluster atom number Nat. The standard N_{at}^{-1/3} linear dependence (Pawlow law) is observed for Nat >300, allowing an extrapolation up to the bulk metal at 1940 ±50 K. For Nat <150, a strong divergence is observed compared to the Pawlow law. The melting transition, which begins at the surface, is stated by a Lindemann-Berry index and an atomic density analysis. Several new features are obtained for the thermodynamics of cEAM clusters, compared to the Rydberg pair potential clusters studied in Paper I.

  5. String-like collective atomic motion in the melting and freezing of nanoparticles.

    PubMed

    Zhang, Hao; Kalvapalle, Pranav; Douglas, Jack F

    2011-12-01

    The melting of a solid represents a transition between a solid state in which atoms are localized about fixed average crystal lattice positions to a fluid state that is characterized by relative atomic disorder and particle mobility so that the atoms wander around the material as a whole, impelled by the random thermal impulses of surrounding atoms. Despite the fundamental nature and practical importance of this particle delocalization transition, there is still no fundamental theory of melting and instead one often relies on the semi-phenomenological Lindemann-Gilvarry criterion to estimate roughly the melting point as an instability of the crystal lattice. Even the earliest simulations of melting in hexagonally packed hard discs by Alder and Wainwright indicated the active role of nonlocal collective atomic motions in the melting process, and here we utilize molecular dynamics (MD) simulation to determine whether the collective particle motion observed in melting has a similar geometrical form as those in recent studies of nanoparticle (NP) interfacial dynamics and the molecular dynamics of metastable glass-forming liquids. We indeed find string-like collective atomic motion in NP melting that is remarkably similar in form to the collective interfacial motions in NPs at equilibrium and to the collective motions found in the molecular dynamics of glass-forming liquids. We also find that the spatial localization and extent of string-like motion in the course of NP melting and freezing evolves with time in distinct ways. Specifically, the collective atomic motion propagates from the NP surface and from within the NP in melting and freezing, respectively, and the average string length varies smoothly with time during melting. In contrast, the string-like cooperative motion peaks in an intermediate stage of the freezing process, reflecting a general asymmetry in the dynamics of NP superheating and supercooling.

  6. Grüneisen parameter of hcp-Fe to 171 GPa

    SciTech Connect

    Murphy, Caitlin A.; Jackson, Jennifer M.; Sturhahn, Wolfgang; Chen, Bin

    2012-02-07

    We measured the phonon density of states (DOS) of hexagonal close-packed iron ({var_epsilon}-Fe) with high statistical quality using nuclear resonant inelastic X-ray scattering and in situ X-ray diffraction experiments between pressures of 30 GPa and 171 GPa and at 300 K, with a neon pressure medium up to 69 GPa. The shape of the phonon DOS remained similar at all compression points, while the maximum (cutoff) energy increased regularly with decreasing volume. As a result, we present a generalized scaling law to describe the volume dependence of {var_epsilon}-Fe's total phonon DOS which, in turn, is directly related to the ambient temperature vibrational Grueneisen parameter ({gamma}{sub vib}). Fitting our individual {gamma}{sub vib} data points with {gamma}{sub vib} = {gamma}{sub vib, 0}(V/V{sub 0}){sup q}, a common parameterization, we found an ambient pressure {gamma}{sub vib,0} = 2.0 {+-} 0.1 for the range q = 0.8 to 1.2. We also determined the Debye sound velocity (v{sub D}) from the low-energy region of the phonon DOS and our in situ measured volumes, and used the volume dependence of v{sub D} to determine the commonly discussed Debye Grueneisen parameter ({gamma}{sub D}). Comparing our {gamma}{sub vib}(V) and {gamma}{sub D}(V), we found {gamma}{sub vib} to be {approx}10% larger than {gamma}{sub D} at any given volume. Finally, applying our {gamma}{sub vib}(V) to a Mie-Grueneisen type relationship and an approximate form of the empirical Lindemann melting criterion, we predict the vibrational thermal pressure and estimate the high-pressure melting behavior of {var_epsilon}-Fe at Earth's core pressures.

  7. A new and effective method for thermostatting confined fluids

    SciTech Connect

    De Luca, Sergio; Todd, B. D.; Hansen, J. S.; Daivis, Peter J.

    2014-02-07

    We present a simple thermostatting method suitable for nanoconfined fluid systems. Two conventional strategies involve thermostatting the fluid directly or employing a thermal wall that couples only the wall atoms with the thermostat. When only a thermal wall is implemented, the temperature control of the fluid is true to the actual experiment and the heat is transferred from the fluid to the walls. However, for large or complex systems it can often be computationally prohibitive to employ thermal walls. To overcome this limitation many researchers choose to freeze wall atoms and instead apply a synthetic thermostat to the fluid directly through the equations of motion. This, however, can have serious consequences for the mechanical, thermodynamic, and dynamical properties of the fluid by introducing unphysical behaviour into the system [Bernardi et al., J. Chem. Phys. 132, 244706 (2010)]. In this paper, we propose a simple scheme which enables working with both frozen walls and naturally thermostatted liquids. This is done by superimposing the walls with oscillating particles, which vibrate on the edge of the fluid control volume. These particles exchange energy with the fluid molecules, but do not interact with wall atoms or each other, thus behaving as virtual particles. Their displacements violate the Lindemann criterion for melting, in such a way that the net effect would not amount to an additional confining surface. One advantage over standard techniques is the reduced computational cost, particularly for large walls, since they can be kept rigid. Another advantage over accepted strategies is the opportunity to freeze complex charged walls such as β-cristobalite. The method furthermore overcomes the problem with polar fluids such as water, as thermalized charged surfaces require higher spring constants to preserve structural stability, due to the effects of strong Coulomb interactions, thus inevitably degrading the thermostatting efficiency.

  8. Thermal annealing of SiC nanoparticles induces SWNT nucleation: evidence for a catalyst-independent VSS mechanism.

    PubMed

    Page, Alister J; Chandrakumar, K R S; Irle, Stephan; Morokuma, Keiji

    2011-09-14

    Density-functional tight-binding molecular dynamics (DFTB/MD) methods were employed to demonstrate single-walled carbon nanotube (SWNT) nucleation resulting from thermal annealing of SiC nanoparticles. SWNT nucleation in this case is preceded by a change of the SiC structure from a crystalline one, to one in which silicon and carbon are segregated. This structural transformation ultimately resulted in the formation of extended polyyne chains on the SiC nanoparticle surface. These polyyne chains subsequently coalesced, forming an extended sp(2)-hybridized carbon cap on the SiC nanoparticle. The kinetics of this process were enhanced significantly at higher temperatures (2500 K), compared to lower temperatures (1200 K) and so directly correlated to the surface premelting behavior of the nanoparticle structure. Analysis of the SiC nanoparticle Lindemann index between 1000 and 3000 K indicated that SWNT nucleation at temperatures below 2600 K occurred in the solid, or quasi-solid, phase. Thus, the traditional vapor-liquid-solid mechanism of SWNT growth does not apply in the case of SiC nanoparticles. Instead, we propose that this example of SWNT nucleation constitutes evidence of a vapor-solid-solid process. This conclusion complements our recent observations regarding SWNT nucleation on SiO(2) nanoparticles (A. J. Page, K. R. S. Chandrakumar, S. Irle and K. Morokuma, J. Am. Chem. Soc., 2011, 133, 621-628). In addition, similarities between the atomistic SWNT nucleation mechanisms on SiC and SiO(2) catalysts provide the first evidence of a catalyst-independent SWNT nucleation mechanism with respect to 'non-traditional' SWNT catalyst species.

  9. Mechanisms for pressure- and time-dependent amorphization of ice under pressure

    NASA Astrophysics Data System (ADS)

    Johari, G. P.; Andersson, Ove

    2004-11-01

    Amorphization of hexagonal ice under pressure at low temperatures has been studied by measuring the thermal conductivity with time, by keeping the ice in the temperature range 127-130K and pressure range 0.79-0.88GPa . The results have been used to examine the relative merits of the Lindemann melting and the Born instability as a mechanism for amorphization of ice. Thermal conductivity decreases continuously with time according to a stretched-exponential relation. This and the findings that, (i) amorphization pressure is lower than the available values calculated for an ideal ice crystal by using the Born theory, and (ii) amorphization of cubic ice occurs at about the same pressure as that of hexagonal ice, seem inconsistent with both mechanisms. The findings can be reconciled with the Born mechanism if the effect of the existing lattice faults and/or the lattice faults produced during the plastic deformation of uniaxially compressed ice are considered to produce a distribution of collapse pressure. It is argued that the difference between the amorphization and the low-density amorph to high-density amorph transformation pressures corresponds to the energy needed to collapse, or randomly distort, the ice crystallites to a structure whose energy spontaneously decreases by diffusion of a H2O molecule into the first coordination shell of the amorph’s known structure, and persist there as an interstitial molecule. The newly observed amorphization kinetics has a bearing on the computer-simulated inference on pressure-induced collapse and/or melting of crystals.

  10. Fostering Nurses' Moral Agency and Moral Identity: The Importance of Moral Community.

    PubMed

    Liaschenko, Joan; Peter, Elizabeth

    2016-09-01

    It may be the case that the most challenging moral problem of the twenty-first century will be the relationship between the individual moral agent and the practices and institutions in which the moral agent is embedded. In this paper, we continue the efforts that one of us, Joan Liaschenko, first called for in 1993, that of using feminist ethics as a lens for viewing the relationship between individual nurses as moral agents and the highly complex institutions in which they do the work of nursing. Feminist ethics, with its emphasis on the inextricable relationship between ethics and politics, provides a useful lens to understand the work of nurses in context. Using Margaret Urban Walker's and Hilde Lindemann's concepts of identity, relationships, values, and moral agency, we argue that health care institutions can be moral communities and profoundly affect the work and identity and, therefore, the moral agency of all who work within those structures, including nurses. Nurses are not only shaped by these organizations but also have the power to shape them. Because moral agency is intimately connected to one's identity, moral identity work is essential for nurses to exercise their moral agency and to foster moral community in health care organizations. We first provide a brief history of nursing's morally problematic relationship with institutions and examine the impact institutional master narratives and corporatism exert today on nurses' moral identities and agency. We close by emphasizing the significance of ongoing dialogue in creating and sustaining moral communities, repairing moral identities, and strengthening moral agency. PMID:27649913

  11. Solidification of 4He clusters adsorbed on graphene

    NASA Astrophysics Data System (ADS)

    Markić, L. Vranješ; Stipanović, P.; Bešlić, I.; Zillich, R. E.

    2016-07-01

    We determined the ground state of He4N clusters adsorbed on one side of graphene for selected cluster sizes in the range from N =20 to N =127 . For all investigated clusters variational and diffusion Monte Carlo simulations were performed at T =0 K, and in addition for a selected subset finite temperature path integral Monte Carlo. At T =0 K the liquid or solid character of each cluster was investigated by restricting the phase using corresponding importance sampling trial-wave functions. The 4He-graphene interaction was modeled as a sum of individual 4He-C interactions, where both isotropic and anisotropic models were tested; also the effect of the substrate-mediated McLachlan interaction was investigated. We have found homogeneous crystallization in models of anisotropic interactions, starting from clusters with N =26 atoms in simulations without the McLachlan interaction, and between N =37 and 61 when it is included. The atoms become increasingly delocalized as one moves from the center of the cluster to the perimeter, evidenced by the Lindemann parameter. On the other hand, in the case of the isotropic interaction model, a liquidlike structure is more favorable for all considered cluster sizes. We use a liquid-drop model to extrapolate the energy per particle to the N →∞ limit, and the results are compared with the values obtained in studies of bulk 4He on graphene. Low-temperature path integral Monte Carlo simulations are in agreement with ground-state results.

  12. River methane hot-spots: Continuous methane ebullition measurements over an annual cycle linked to river sediment production

    NASA Astrophysics Data System (ADS)

    Wilkinson, Jeremy; Maeck, Andreas; Ashboul, Zeyad; Lorke, Andreas

    2015-04-01

    Hot spot methane ebullition from impounded river reaches matches high rates observed around the globe. Ebullition dominates total methane flux in the Saar River (Germany) and is largely determined by sediment deposition rate. Using automated bubble traps developed in-house, and deployed over a year at four sites, we collected high resolution data showing that hydrodynamic disturbances from shipping, lock operations and hydrograph events trigger ebullition episodes. Reverse smoothing was used to integrate the observed ebullition back in time, and helped in visualizing the data, and provides a time-series closer to methane accumulation in the sediments, whereas ebullition shows the triggering and release of the accumulated gas. One major hydrological disturbance of shallow-water sediment released around 13% of the total annual ebullition at that site, and ebullition generally followed the seasonal sediment temperature variations. The same event damped ebullition from deeper water sites. Total annual ebullition values ranged from 200 to 500 gCH4 m-2 yr-1. Ebullition from shallow water sediments in winter ceased for extended periods, but continued un-broken from deeper sites. With on-going measurements we believe these findings will help to improve estimates and the modelling of methane emissions from impounded river systems.

  13. Advanced tools for astronomical time series and image analysis

    NASA Astrophysics Data System (ADS)

    Scargle, Jeffrey D.

    The algorithms described here, which I have developed for applications in X-ray and γ-ray astronomy, will hopefully be of use in other ways, perhaps aiding in the exploration of modern astronomy's data cornucopia. The goal is to describe principled approaches to some ubiquitous problems, such as detection and characterization of periodic and aperiodic signals, estimation of time delays between multiple time series, and source detection in noisy images with noisy backgrounds. The latter problem is related to detection of clusters in data spaces of various dimensions. A goal of this work is to achieve a unifying view of several related topics: signal detection and characterization, cluster identification, classification, density estimation, and multivariate regression. In addition to being useful for analysis of data from space-based and ground-based missions, these algorithms may be a basis for a future automatic science discovery facility, and in turn provide analysis tools for the Virtual Observatory. This chapter has ties to those by Larry Bretthorst, Tom Loredo, Alanna Connors, Fionn Murtagh, Jim Berger, David van Dyk, Vicent Martinez & Enn Saar.

  14. Arrhythmic risk stratification after myocardial infarction using ambulatory electrocardiography signal averaging.

    PubMed

    Roche, Frédéric; DaCosta, Antoine; Karnib, Ibrahim; Triomphe, Géraldine; Roche, Christian; Isaaz, Karl; Geyssant, André; Barthélémy, Jean-Claude

    2002-05-01

    Ambulatory ECG had been proposed to examine the amplified high resolution signal-averaged electrocardiogram (SAECG). Clinical investigations are required to confirm the predictive value of such a high resolution technique in arrhythmic risk stratification. The prognostic value of ambulatory Holter SAECG was evaluated in 108 postinfarction patients for the purpose of predicting the occurrence of serious arrhythmic (SARR) events (sudden cardiac death [SCD], VT, or VF) in comparison with classical real-time SAECG. During the 42+/-8 months of follow-up, the sudden cardiac death mortality was 4.6% (five deaths), six (5.6%) patients had VT, and one (0.9%) VF. QRSd was found to be the most predictive parameter using ROC curves analysis for SAAR + outcome (W = 0.833 and W = 0.803 for 25-250 Hz and 40-250 Hz filters, respectively) followed by RMS (W = 0.766 and W = 0.721) and LAS (W = 0.759, W = 0.709) (all P < 0.01). Abnormal Holter SAECG for 25 and 40-Hz LP filter were significant predictors of SARR+ by log-rank test (P < 0.01, P < 0.05, respectively). This study confirms that valuable prognostic information can be obtained from the ambulatory high resolution ECG technique and that Holter SAECG may predict arrhythmic risk in a postinfarction population. PMID:12049370

  15. Quantitative comparison of soil erosion, runoff and infiltration coefficients using the same small portable rainfall simulator in German and Spanish vineyards

    NASA Astrophysics Data System (ADS)

    Rodrigo Comino, Jesús; Iserloh, Thomas; Lassu, Tamás; Cerdà, Artemi; Keesstra, Saskia; Prosdocimi, Massimo; Concepción Ramos, María; Brings, Christine; María Senciales, José; Damián Ruiz Sinoga, José; Seeger, Manuel; Ries, Johannes B.

    2016-04-01

    Small portable rainfall simulations have been used for decades to compare and quantify the relationship between the factors influencing runoff generation and soil erosion. Though, the comparability of these researches is problematic due to the different simulators and methods applied. In order to enable a quantitative comparison of the soil erosion processes of four study areas (Valencia and Málaga in Spain, Ruwer-Mosel valley and Saar-Mosel valley in Germany) similar type of portable rainfall simulator (with a square metal frame of 0.45 m x 0.45 m, one nozzle Lechler 460 608, four telescopic aluminium legs, a rubber tarpaulin to avoid wind influences, a circular test plot with 0.28m2) with similar methodology (rainfall intensity of 40 mm h-1, during 30 minutes of time duration, collecting the samples with intervals of 5 minutes) was used. Older and younger vineyards with conventional and ecological planting system were being compared with each other. All together the results of 77 simulations have been analysed and additionally the Spearman's Correlation Coefficient was calculated for each study area to identify the relationship between the different parameters.

  16. Quantitative comparison of initial soil erosion processes and runoff generation in Spanish and German vineyards.

    PubMed

    Rodrigo Comino, J; Iserloh, T; Lassu, T; Cerdà, A; Keestra, S D; Prosdocimi, M; Brings, C; Marzen, M; Ramos, M C; Senciales, J M; Ruiz Sinoga, J D; Seeger, M; Ries, J B

    2016-09-15

    The aim of this study was to enable a quantitative comparison of initial soil erosion processes in European vineyards using the same methodology and equipment. The study was conducted in four viticultural areas with different characteristics (Valencia and Málaga in Spain, Ruwer-Mosel valley and Saar-Mosel valley in Germany). Old and young vineyards, with conventional and ecological planting and management systems were compared. The same portable rainfall simulator with identical rainfall intensity (40mmh(-1)) and sampling intervals (30min of test duration, collecting the samples at 5-min-intervals) was used over a circular test plot with 0.28m(2). The results of 83 simulations have been analysed and correlation coefficients were calculated for each study area to identify the relationship between environmental plot characteristics, soil texture, soil erosion, runoff and infiltration. The results allow for identification of the main factors related to soil properties, topography and management, which control soil erosion processes in vineyards. The most important factors influencing soil erosion and runoff were the vegetation cover for the ecological German vineyards (with 97.6±8% infiltration coefficients) and stone cover, soil moisture and slope steepness for the conventional land uses. PMID:27265730

  17. Seasonal variability in Tibetan seismicity 1991-2013

    NASA Astrophysics Data System (ADS)

    Randolph-Flagg, N. G.; Day, J.; Burgmann, R.; Manga, M.

    2013-12-01

    Seismicity in the High Himalaya in Nepal (Bollinger et al., GRL, 2007, Bettinelli et al., EPSL, 2008), the San Andreas fault near Parkfield, California (Christiansen et al., 2007), Mt. Hochstaufen in Germany (Hainzl et al., 2006), and some Cascade Range volcanoes (Christiansen et al., GRL, 2005; Saar and Manga, EPSL, 2003) shows seasonal modulation. From 1991 to 2013, seismicity throughout the ~500 km by ~1000 km Tibetan Plateau also appears to be modulated with 66% more shallow (depth < 20km) earthquakes in spring and fall than in the summer and winter. This variation cannot be explained by seasonal changes in seismic network coverage or triggering by (or occurrence of) large magnitude earthquakes. Significant foreshocks and aftershocks of the 2008 M7.9 Wenchuan earthquake in Sichuan dominate the seismic record from 2008 to 2009 and those years are not considered in the statistical analysis. The Tibetan seismicity, although weaker, is very similar to the modulation observed in Nepal and in the locked section of the San Andreas fault at Parkfield. To explain this biannual signal, we assess the possible effects of hydrologic loading (and unloading), pore pressure diffusion, fault plane orientation, evapotranspiration, earth tides, and atmospheric pressure. The similarity in seasonal signals throughout the area suggests that many faults on the Tibetan Plateau are critically stressed and sensitive to small transient stresses.

  18. Removing Activity-Related Radial Velocity Noise to Improve Extrasolar Planet Searches

    NASA Technical Reports Server (NTRS)

    Saar, Steven; Lindstrom, David M. (Technical Monitor)

    2004-01-01

    We have made significant progress towards the proposal goals of understanding the causes and effects of magnetic activity-induced radial velocity (v_r) jitter and developing methods for correcting it. In the process, we have also made some significant discoveries in the fields of planet-induced stellar activity, planet detection methods, M dwarf convection, starspot properties, and magnetic dynamo cycles. We have obtained super high resolution (R approximately 200,000), high S / N (greater than 300) echelle study of joint line bisector and radial velocity variations using the McDonald 2-D coude. A long observing run in October 2002 in particular was quite successful (8 clear nights). We now have close to three years of data, which begins to sample a good fraction of the magnetic cycle timescales for some of our targets (e.g., kappa Ceti; P_cyc = 5.6 yrs). This will be very helpful in unraveling the complex relationships between plage and radial velocity (v-r) changes which we have uncovered. Preliminary analysis (Saar et al. 2003) of the data in hand, reveals correlations between median line bisector displacement and v_r. The correlation appears to be specific the the particular star being considered, probably since it is a function of both spectral type and rotation rate. Further analysis and interpretation will be in the context of evolving plage models and is in progress.

  19. Continuous Seasonal River Ebullition Measurements Linked to Sediment Methane Formation.

    PubMed

    Wilkinson, Jeremy; Maeck, Andreas; Alshboul, Zeyad; Lorke, Andreas

    2015-11-17

    Laboratory sediment incubations and continuous ebullition monitoring over an annual cycle in the temperate Saar River, Germany confirm that impounded river zones can produce and emit methane at high rates (7 to 30 (g CH4 m(-3) d(-1)) at 25 °C and 270 to 700 (g CH4 m(-2) yr(-1)), respectively). Summer methane ebullition (ME) peaks were a factor of 4 to 10 times the winter minima, and sediment methane formation was dominated by the upper sediment (depths of 0.14 to 0.2 m). The key driver of the seasonal ME dynamics was temperature. An empirical model relating methane formation to temperature and sediment depth, derived from the laboratory incubations, reproduced the measured daily ebullition from winter to midsummer, although late summer and autumn simulated ME exceeded the observed ME. A possible explanation for this was substrate limitation. We recommend measurements of methanogenically available carbon sources to identify substrate limitation and help characterize variation in methane formation with depth and from site to site.

  20. Short-period Stellar Activity Cycles with Kepler Photometry

    NASA Astrophysics Data System (ADS)

    Arkhypov, Oleksiy V.; Khodachenko, Maxim L.; Lammer, Helmut; Güdel, Manuel; Lüftinger, Theresa; Johnstone, Colin P.

    2015-07-01

    We study the short-periodic component of stellar activity with a cycle period of {P}{cyc}\\lt {10}3 days using the Kepler mission photometry of fast-rotating (1\\lt P\\lt 4 days) stars with spectra of M4V to F3V. Applying the originally developed two non-spectral methods, we measured the effective period of stellar cycles in 462 objects. The obtained results are in accordance with previous measurements by Vida et al. and do not seem to result from a beating effect. The performed measurements of Pcyc cluster in a specific branch that covers the previously unstudied region in the Saar & Brandenburg diagram and connects the branch of inactive stars with the area populated by super-active objects. It is shown that the formation of the discovered branch is due to the α-quenching effect, which saturates the magnetic dynamo and decreases the cycle periods with the increase of the inverted Rossby number. This finding is important in the context of the discussion on catastrophic quenching and other heuristic approximations of the nonlinear α-effect.

  1. Quantitative comparison of initial soil erosion processes and runoff generation in Spanish and German vineyards.

    PubMed

    Rodrigo Comino, J; Iserloh, T; Lassu, T; Cerdà, A; Keestra, S D; Prosdocimi, M; Brings, C; Marzen, M; Ramos, M C; Senciales, J M; Ruiz Sinoga, J D; Seeger, M; Ries, J B

    2016-09-15

    The aim of this study was to enable a quantitative comparison of initial soil erosion processes in European vineyards using the same methodology and equipment. The study was conducted in four viticultural areas with different characteristics (Valencia and Málaga in Spain, Ruwer-Mosel valley and Saar-Mosel valley in Germany). Old and young vineyards, with conventional and ecological planting and management systems were compared. The same portable rainfall simulator with identical rainfall intensity (40mmh(-1)) and sampling intervals (30min of test duration, collecting the samples at 5-min-intervals) was used over a circular test plot with 0.28m(2). The results of 83 simulations have been analysed and correlation coefficients were calculated for each study area to identify the relationship between environmental plot characteristics, soil texture, soil erosion, runoff and infiltration. The results allow for identification of the main factors related to soil properties, topography and management, which control soil erosion processes in vineyards. The most important factors influencing soil erosion and runoff were the vegetation cover for the ecological German vineyards (with 97.6±8% infiltration coefficients) and stone cover, soil moisture and slope steepness for the conventional land uses.

  2. Current levels and trends of selected EU Water Framework Directive priority substances in freshwater fish from the German environmental specimen bank.

    PubMed

    Fliedner, Annette; Lohmann, Nina; Rüdel, Heinz; Teubner, Diana; Wellmitz, Jörg; Koschorreck, Jan

    2016-09-01

    Under the German environmental specimen bank programme bream (Abramis brama) were sampled in six German rivers and analysed for the priority hazardous substances dicofol, hexabromocyclododecane (HBCDD), hexachlorobenzene (HCB), hexachlorobutadiene (HCBD), heptachlor + heptachlor epoxide (HC + HCE), polybrominated diphenylethers (PBDEs), polychlorinated dibenzo-p-dioxins and -furans and dioxin-like polychlorinated biphenyls (PCDD/Fs + dl-PCBs), and perfluorooctane sulfonic acid (PFOS). The aim was to assess compliance with the EU Water Framework Directive environmental quality standards for biota (EQSBiota) for the year 2013, and to analyse temporal trends for those substances that are of special concern. General compliance was observed for dicofol, HBCDD and HCBD whereas PBDEs exceeded the EQSBiota at all sites. For all other substances compliance in 2013 varied between locations. No assessment was possible for HC + HCE at some sites where the analytical sensitivity was not sufficient to cover the EQSBiota. Trend analysis showed decreasing linear trends for HCB and PFOS at most sampling sites between 1995 and 2014 indicating that the emission reduction measures are effective. Mostly decreasing trends or constant levels were also observed for PCDD/Fs and dl-PCBs. In contrast, increasing trends were detected for PBDEs and HBCDD which were especially pronounced at one Saar site located downstream of the industries and conurbation of Saarbrücken and Völklingen. This finding points to new sources of emissions which should be followed in the coming years. PMID:27389550

  3. Effect of ship locking on sediment oxygen uptake in impounded rivers

    NASA Astrophysics Data System (ADS)

    Lorke, A.; McGinnis, D. F.; Maeck, A.; Fischer, H.

    2012-12-01

    In the majority of large river systems, flow is regulated and/or otherwise affected by operational and management activities, such as ship locking. The effect of lock operation on sediment-water oxygen fluxes was studied within a 12.9 km long impoundment at the Saar River (Germany) using eddy-correlation flux measurements. The continuous observations cover a time period of nearly 5 days and 39 individual locking events. Ship locking is associated with the generation of surges propagating back and forth through the impoundment which causes strong variations of near-bed current velocity and turbulence. These wave-induced flow variations cause variations in sediment-water oxygen fluxes. While the mean flux during time periods without lock operation was 0.5 ± 0.1 g m-2 d-1, it increased by about a factor of 2 to 1.0 ± 0.5 g m-2 d-1within time periods with ship locking. Following the daily schedule of lock operations, fluxes are predominantly enhanced during daytime and follow a pronounced diurnal rhythm. The driving force for the increased flux is the enhancement of diffusive transport across the sediment-water interface by bottom-boundary layer turbulence and perhaps resuspension. Additional means by which the oxygen budget of the impoundment is affected by lock-induced flow variations are discussed.

  4. Liquid state physics of the magnesium oxide-silicon dioxide system at deep mantle pressures

    NASA Astrophysics Data System (ADS)

    de Koker, Nico Pieter Jan

    As the primary medium through which planetary differentiation occurs, silicate liquids have a central role in the study of the thermal and chemical evolution of Earth. First principles molecular dynamics simulations were used to study the liquid state physics of the MgO-SiO2 join. We find the structure of liquids to vary continuously upon compression, and to differ markedly from that of the respective isochemical crystalline polymorphs. Liquid structure also depends strongly on composition, with a further notable difference between the structure of magnesio-silicate liquids and that of pure silica. Liquid structure is expressed in the liquid state thermodynamic properties. A density crossover along the forsterite melting curve is found within the stability field of the mineral, a feature which a melting curve computed through the Lindemann criterion from the mean squared atomic displacements in forsterite is unable to reproduce. Composition dependent structural differences within the liquid are expressed as a liquid immiscibility field at low pressure in high silica compositions. We develop a self-consistent thermodynamic description of liquid state thermodynamics relevant to silicate liquids over a large range of pressures and temperatures. To constrain the description, we use simulation results for liquid MgO, MgSiO3, Mg2SiO4 and SiO2, including the thermal electronic contribution to the free energy. With liquid state thermodynamics constrained self-consistently, we investigate the high pressure melting of MgO periclase and MgSiO3 perovskite, with special focus on the changes in density and sound velocity which would be expected during shock melting of periclase and enstatite. We further apply the thermodynamic description to the thermodynamics of mixing along the full extent of the binary. At low pressure the enthalpy of mixing is notably pressure dependent, primarily due to the disappearance of a maximum at high silica compositions with pressure. The assumption

  5. The Time Is Now: Bioethics and LGBT Issues.

    PubMed

    Powell, Tia; Foglia, Mary Beth

    2014-09-01

    Our goal in producing this special issue is to encourage our colleagues to incorporate topics related to LGBT populations into bioethics curricula and scholarship. Bioethics has only rarely examined the ways in which law and medicine have defined, regulated, and often oppressed sexual minorities. This is an error on the part of bioethics. Medicine and law have served in the past as society's enforcement arm toward sexual minorities, in ways that robbed many people of their dignity. We feel that bioethics has an obligation to discuss that history and to help us as a society take responsibility for it. We can address only a small number of topics in this special issue of the Hastings Center Report, and we selected topics we believe will stimulate discourse. Andrew Solomon offers an elegant overview of the challenges that bioethics faces in articulating a solid basis for LGBT rights. Timothy F. Murphy asks whether bioethics still faces issues related to lesbian, gay, and bisexual people, given the deletion of homosexuality as a disease and the progress toward same-sex marriage. Jamie Lindemann Nelson's essay addresses the search for identity for transgender persons and the role of science in that search. Two articles, those by Brendan S. Abel and by Jack Drescher and Jack Pula, take up the complex issue of medical treatment for children who reject their assigned birth gender. Celia B. Fisher and Brian Mustanski address the special challenges of engaging LGBT youth in research, balancing the need for better information about this vulnerable group against the existing restrictions on research involving children. Tia Powell and Edward Stein consider the merits of legal bans on psychotherapies intended to change sexual orientation, particularly in the light of current research on orientation. Mary Beth Foglia and Karen I. Fredricksen-Goldsen highlight health disparities and resilience among LGBT older adults and then discuss the role of nonconscious bias in perpetuating

  6. The Time Is Now: Bioethics and LGBT Issues.

    PubMed

    Powell, Tia; Foglia, Mary Beth

    2014-09-01

    Our goal in producing this special issue is to encourage our colleagues to incorporate topics related to LGBT populations into bioethics curricula and scholarship. Bioethics has only rarely examined the ways in which law and medicine have defined, regulated, and often oppressed sexual minorities. This is an error on the part of bioethics. Medicine and law have served in the past as society's enforcement arm toward sexual minorities, in ways that robbed many people of their dignity. We feel that bioethics has an obligation to discuss that history and to help us as a society take responsibility for it. We can address only a small number of topics in this special issue of the Hastings Center Report, and we selected topics we believe will stimulate discourse. Andrew Solomon offers an elegant overview of the challenges that bioethics faces in articulating a solid basis for LGBT rights. Timothy F. Murphy asks whether bioethics still faces issues related to lesbian, gay, and bisexual people, given the deletion of homosexuality as a disease and the progress toward same-sex marriage. Jamie Lindemann Nelson's essay addresses the search for identity for transgender persons and the role of science in that search. Two articles, those by Brendan S. Abel and by Jack Drescher and Jack Pula, take up the complex issue of medical treatment for children who reject their assigned birth gender. Celia B. Fisher and Brian Mustanski address the special challenges of engaging LGBT youth in research, balancing the need for better information about this vulnerable group against the existing restrictions on research involving children. Tia Powell and Edward Stein consider the merits of legal bans on psychotherapies intended to change sexual orientation, particularly in the light of current research on orientation. Mary Beth Foglia and Karen I. Fredricksen-Goldsen highlight health disparities and resilience among LGBT older adults and then discuss the role of nonconscious bias in perpetuating

  7. Nanothermodynamics of large iron clusters by means of a flat histogram Monte Carlo method.

    PubMed

    Basire, M; Soudan, J-M; Angelié, C

    2014-09-14

    The thermodynamics of iron clusters of various sizes, from 76 to 2452 atoms, typical of the catalyst particles used for carbon nanotubes growth, has been explored by a flat histogram Monte Carlo (MC) algorithm (called the σ-mapping), developed by Soudan et al. [J. Chem. Phys. 135, 144109 (2011), Paper I]. This method provides the classical density of states, gp(Ep) in the configurational space, in terms of the potential energy of the system, with good and well controlled convergence properties, particularly in the melting phase transition zone which is of interest in this work. To describe the system, an iron potential has been implemented, called "corrected EAM" (cEAM), which approximates the MEAM potential of Lee et al. [Phys. Rev. B 64, 184102 (2001)] with an accuracy better than 3 meV/at, and a five times larger computational speed. The main simplification concerns the angular dependence of the potential, with a small impact on accuracy, while the screening coefficients S(ij) are exactly computed with a fast algorithm. With this potential, ergodic explorations of the clusters can be performed efficiently in a reasonable computing time, at least in the upper half of the solid zone and above. Problems of ergodicity exist in the lower half of the solid zone but routes to overcome them are discussed. The solid-liquid (melting) phase transition temperature T(m) is plotted in terms of the cluster atom number N(at). The standard N(at)(-1/3) linear dependence (Pawlow law) is observed for N(at) >300, allowing an extrapolation up to the bulk metal at 1940 ±50 K. For N(at) <150, a strong divergence is observed compared to the Pawlow law. The melting transition, which begins at the surface, is stated by a Lindemann-Berry index and an atomic density analysis. Several new features are obtained for the thermodynamics of cEAM clusters, compared to the Rydberg pair potential clusters studied in Paper I.

  8. Fritz London

    NASA Astrophysics Data System (ADS)

    Gavroglu, Kostas

    2005-11-01

    Preface; Acknowledgements; Part I. From Philosophy to Physics: The years that left nothing unaffected; 1. The appeal of ideas; 2. Goëthe as a scientist; 3. How absolute is our knowledge?; 4. How do we come to know things?; 5. London's teachers in philosophy; 6. Husserl's teachings; 7. Expectations of things to come; 8. The thesis in philosophy; 9. Tolman's principle of similitude; 10. The necessary clarifications; 11. Work on quantum theory; 12. Transformation theory; 13. Unsuccessful attempts at unification; Part II. The Years in Berlin and the Beginnings of Quantum Chemistry: The mysterious bond; 14. London in Zürich; 15. Binding forces; 16. The Pauli principle; 17. Reactions to the Heitler-London paper; 18. Polyelectronic molecules and the application of group theory to problems of chemical valence; 19. Chemists as physicists?; 20. London's first contacts in Berlin; 21. Marriage; 22. Job offers; 23. Intermolecular forces; 24. The book which could not be written; 25. Leningrad and Rome; 26. Difficulties with group theory; 27. Linus Pauling's resonance structures; 28. Robert Mulliken's molecular orbitals; Part III. Oxford and Superconductivity: The rise of the Nazis; 29. Going to Oxford; 30. Lindemann, Simon and Heinz London; 31. Electricity in the very cold; 32. The end of old certainties; 33. The thermodynamic treatment; 34. The theory of Fritz and Heinz London; 35. Initial reactions by von Laue; 36. The discussion at the Royal Society; 37. Termination of the ICI fellowship; Part IV. Paris and Superfluidity: The Front Populaire; 38. The article in Nature 1937 and 'Nouvelle Conception'; 39. Laue again; 40. The structure of solid helium; 41. The peculiar properties of helium; 42. Bose-Einstein condensation; 43. The note in Nature; 44. The two-fluid model; 45. The trip to Jerusalem; 46. Leaving again; 47. The observer in quantum mechanics; Part V. United States and the Typing up of Loose Ends: Duke University, North Carolina; 48. The Soviet Union, Kapitza and

  9. Nanothermodynamics of large iron clusters by means of a flat histogram Monte Carlo method

    SciTech Connect

    Basire, M.; Soudan, J.-M.; Angelié, C.

    2014-09-14

    The thermodynamics of iron clusters of various sizes, from 76 to 2452 atoms, typical of the catalyst particles used for carbon nanotubes growth, has been explored by a flat histogram Monte Carlo (MC) algorithm (called the σ-mapping), developed by Soudan et al. [J. Chem. Phys. 135, 144109 (2011), Paper I]. This method provides the classical density of states, g{sub p}(E{sub p}) in the configurational space, in terms of the potential energy of the system, with good and well controlled convergence properties, particularly in the melting phase transition zone which is of interest in this work. To describe the system, an iron potential has been implemented, called “corrected EAM” (cEAM), which approximates the MEAM potential of Lee et al. [Phys. Rev. B 64, 184102 (2001)] with an accuracy better than 3 meV/at, and a five times larger computational speed. The main simplification concerns the angular dependence of the potential, with a small impact on accuracy, while the screening coefficients S{sub ij} are exactly computed with a fast algorithm. With this potential, ergodic explorations of the clusters can be performed efficiently in a reasonable computing time, at least in the upper half of the solid zone and above. Problems of ergodicity exist in the lower half of the solid zone but routes to overcome them are discussed. The solid-liquid (melting) phase transition temperature T{sub m} is plotted in terms of the cluster atom number N{sub at}. The standard N{sub at}{sup −1/3} linear dependence (Pawlow law) is observed for N{sub at} >300, allowing an extrapolation up to the bulk metal at 1940 ±50 K. For N{sub at} <150, a strong divergence is observed compared to the Pawlow law. The melting transition, which begins at the surface, is stated by a Lindemann-Berry index and an atomic density analysis. Several new features are obtained for the thermodynamics of cEAM clusters, compared to the Rydberg pair potential clusters studied in Paper I.

  10. Integration of porosity, connectivity and permeability measurements to determine syn-eruptive degassing processes during a sub-plinian basaltic eruption

    NASA Astrophysics Data System (ADS)

    Jordan, Simone; Gurioli, Lucia; Colombier, Matthieu; Le Pennec, Jean-Luc; Roche, Olivier

    2015-04-01

    Degassing of the volatile phases is considered to have a major control on the eruption dynamics, particularly in controlling shifts between explosive and extrusive eruption styles. The sub-plinian eruption of the basaltic monogenetic La Vache and Lassolas cone complex in the Chaîne des Puys, France, about 8600 years ago, was an unusual large event that raises the question of the processes that controlled the explosivity of non-differentiated magma and the evolution of this sub-plinian event. This study combines the results of density, porosity, connectivity and permeability measurements of juvenile clasts to determine the state of vesiculation and the presence of open degassing pathways within the melt prior to fragmentation. The volume of connected vesicles is measured using a Helium-Pycnometer, while permeability measurements are conducted using a permeameter recently built at the Laboratoire Magma et Volcans, following Takeuchi et al. (2008). The permeameter has broad measurement ranges of pressure difference (101-105 Pa) and gas-flow rate (10-9-10-5 m3/s). These ranges enable us to measure viscous (Darcian) permeability in the range of 10-17-10-9 m2 for 1 centimetre-scale samples (such as scoria clasts) using the Forchheimer equation (Rust and Cashman, 2004) that accounts for inertial effects caused by non-laminar flow at high gas flow rates. This technique is a relatively new approach to determine the permeability of quenched samples. The integration of porosity and connectivity measurements provides information about the percentage of connected and isolated vesicles, with the connected vesicles forming potential degassing pathways. Our results show that the permeability and the vesicularity of the La Vache and Lassolas pyroclasts correlate very well, defining a trend that is also shown by the permeability data derived from the literature for the Cascades (Saar and Manga, 1999) and the Ambrym volcano (Polacci et al., 2012). The connectivity data of the

  11. Metamorphosis and neoteny: alternative pathways in an extinct amphibian clade.

    PubMed

    Schoch, Rainer R; Fröbisch, Nadia B

    2006-07-01

    The Branchiosauridae was a clade of small amphibians from the Permo-Carboniferous with an overall salamander-like appearance. The clade is distinguished by an extraordinary fossil record that comprises hundreds of well-preserved specimens, representing a wide range of ontogenetic stages. Branchiosaurids had external gills and weakly ossified skeletons, and due to this larval appearance their status as neotenic (perennibranchiate) forms has long been accepted. Despite their extensive fossil record large specimens with an adult morphology appeared to be lacking altogether, but recently two adult specimens were identified in a rich sample of Apateon gracilis collected in the 19th century from a locality near Dresden, Saxony. These specimens are unique among branchiosaurids in showing a high level of ossification, including bones that have never been reported in a branchiosaur. These highlight the successive formation of features believed to indicate terrestrial locomotion, as well as feeding on larger prey items. Moreover, these transformations occurred in a small time window (whereas the degree of size increase is used as a proxy of time) and the degree of concentration of developmental events in branchiosaurids is unique among tetrapods outside the lissamphibians. These specimens are compared with large adults of the neotenic branchiosaurid Apateon caducus from the Saar-Nahe Basin, which despite their larger body size lack the features found in the adult A. gracilis specimens. These specimens give new insight into patterns of metamorphosis (morphological transformation) in branchiosaurids that are believed to be correlated to a change of habitat, and clearly show that different life-history pathways comparable to those of modern salamanders were already established in this Paleozoic clade.

  12. Rainfall simulation experiments in ecological and conventional vineyards.

    NASA Astrophysics Data System (ADS)

    Adrian, Alexander; Brings, Christine; Rodrigo Comino, Jesús; Iserloh, Thomas; Ries, Johannes B.

    2015-04-01

    In October 2014, the Trier University started a measurement series, which defines, compares and evaluates the behavior of runoff and soil erosion with different farming productions in vineyards. The research area is located in Kanzem, a traditional wine village in the Saar Valley (Rheinland-Palatinate, Germany). The test fields show different cultivation methods: ecological (with natural vegetation cover under and around the vines) and conventional cultivated rows of wine. By using the small portable rainfall simulator of Trier University it shall be proved if the assumption that there is more runoff and soil erosion in the conventional part than in the ecological part of the tillage system. Rainfall simulations assess the generation of overland flow, soil erosion and infiltration. So, a trend of soil erosion and runoff of the different cultivation techniques are noted. The objective of this work is to compare the geomorphological dynamics of two different tillage systems. Therefore, 30 rainfall simulations plots were evenly distributed on a west exposition hillside with different slope angels (8-25°), vegetation- and stone-covers. In concrete, the plot surface reaches from strongly covered soil across lithoidal surfaces to bare soil often with compacted lanes of typical using machines. In addition, by using the collected substrate, an estimation and distribution of the grain size of the eroded material shall be given. The eroded substrate is compared to soil samples of the test plots. The first results have shown that there is slightly more runoff and soil erosion in the ecological area than on the conventional part of the vineyard.

  13. Local and Global Magnetic Fields of Late-Type Dwarfs OT Ser and YZ CMi

    NASA Astrophysics Data System (ADS)

    Bychkov, V. D.; Bychkova, L. V.; Madej, J.; Panferov, A. A.

    2015-04-01

    Differential rotation is the primary energy source for generation of local magnetic fields in the atmospheres of late-type stars (Moss et al. 1995). Moreover, the colder a star, the greater the effect, which was confirmed by observations. For instance, Saar (1988) measured the surface magnetic fields of late-type stars using the integral method Robinson (1980) and drew attention to the fact that the average magnetic field in the spots reaches the values of 1500 G for the G-type dwarfs, 2500 G for the K dwarfs, and 3500 G for the M-dwarf stars. The fraction of the surface of a star covered by spots also increases towards the latest spectral types. These well-known observational facts were explained by theoretical models, such as the α2 mechanism, for instance (Moss et al. 1995). Late-type dwarfs exhibit periodic eruptions resulting from the field line reconnection of newly generated local magnetic fields. This feature is observed in G, K, and M dwarfs, constituting 95%of all the stars in our Galaxy. The most prominent are the field reconnections in the so-called flare stars, which are the M dwarfs. This is understandable, since the peak flux of M dwarfs is placed in the red and infrared regions of the spectrum, whereas a flash has the maximum emission in the violet spectral region. Analysis of long-term photometric observations revealed that, on the average, energy of flares was found constant over a long time period for each flare star. That is to say, this conclusion implies that the power of the local magnetic field generator remains constant at this stage of evolution of stars.

  14. Two-Stage, Integrated, Geothermal-CO2 Storage Reservoirs: An Approach for Sustainable Energy Production, CO2-Sequestration Security, and Reduced Environmental Risk

    SciTech Connect

    Buscheck, T A; Chen, M; Sun, Y; Hao, Y; Elliot, T R

    2012-02-02

    We introduce a hybrid two-stage energy-recovery approach to sequester CO{sub 2} and produce geothermal energy at low environmental risk and low cost by integrating geothermal production with CO{sub 2} capture and sequestration (CCS) in saline, sedimentary formations. Our approach combines the benefits of the approach proposed by Buscheck et al. (2011b), which uses brine as the working fluid, with those of the approach first suggested by Brown (2000) and analyzed by Pruess (2006), using CO{sub 2} as the working fluid, and then extended to saline-formation CCS by Randolph and Saar (2011a). During stage one of our hybrid approach, formation brine, which is extracted to provide pressure relief for CO{sub 2} injection, is the working fluid for energy recovery. Produced brine is applied to a consumptive beneficial use: feedstock for fresh water production through desalination, saline cooling water, or make-up water to be injected into a neighboring reservoir operation, such as in Enhanced Geothermal Systems (EGS), where there is often a shortage of a working fluid. For stage one, it is important to find economically feasible disposition options to reduce the volume of brine requiring reinjection in the integrated geothermal-CCS reservoir (Buscheck et al. 2012a). During stage two, which begins as CO{sub 2} reaches the production wells; coproduced brine and CO{sub 2} are the working fluids. We present preliminary reservoir engineering analyses of this approach, using a simple conceptual model of a homogeneous, permeable CO{sub 2} storage formation/geothermal reservoir, bounded by relatively impermeable sealing units. We assess both the CO{sub 2} sequestration capacity and geothermal energy production potential as a function of well spacing between CO{sub 2} injectors and brine/CO{sub 2} producers for various well patterns and for a range of subsurface conditions.

  15. Quantitative analysis of soil erosion in ecologically and conventionally cultivated vineyards

    NASA Astrophysics Data System (ADS)

    Adrian, Alexander; Brings, Christine; Rodrigo Comino, Jesús; Seeger, Manuel; Ries, Johannes B.

    2016-04-01

    Long term observations of soil erosion in vineyards showed that they are generally stable. But the soil erosion rates reach very varying dimensions by the increased occurrence of extreme rainfall events or under the influence of different soil and vineyard management. To identify the differences between an ecologically (with natural vegetation cover under and around the vines) and conventionally cultivated vineyard, in 2014 six sediment traps were installed on a south-west exposed slope of the Rhenish Slate Mountains, West Germany. The research area is part of Saar terrace (around 180 meter high above sea level), a tributary of the Moselle, so the substrate is made of clay stone and gravel sand. Sediment traps allow in-situ measurements during a natural rainfall event. By dint of them the overland flow and sediment can be collected. The sediment traps were placed in a row in the middle of the slope, in the steepest part (averaged 23°). They were emptied weekly. Runoff and sediments were divided by the gravimetric filtering method. The results show more collected runoff and sediment in the conventional vineyard than in the ecological. The sum of the runoffs amounts to 75 liter in the conventional vineyard, 29 liter for the ecological old and 0.73 liter for the ecological young vineyard. The amount of sediment of conventional vineyard (403 g) was five times higher than in the ecological one (79 g). The causes lay in the low vegetation cover and existing traffic lines in the conventional vineyard. But the highest sediment concentration has been detected in the ecological young vineyard.

  16. Possible role of a cell surface carbohydrate in evolution of resistance to viral infections in old world primates.

    PubMed

    Rodriguez, Idalia A; Welsh, Raymond M

    2013-08-01

    Due to inactivation of the α1,3-galactosyltransferase gene (GGTA1, or the α1,3GT gene) approximately 28 million years ago, the carbohydrate αGal (Galα1,3Galβ1,4GlcNAc) is not expressed on the cells of Old World monkeys and apes (including humans) but is expressed in all other mammals. The proposed selective advantage of this mutation for these primates is the ability to produce anti-Gal antibodies, which may be an effective immune component in neutralizing αGal-expressing pathogens. However, loss of α1,3GT expression may have been advantageous by providing natural resistance against viral pathogens that exploited the α1,3GT pathway or cell surface αGal for infection. Infections of paired cell lines with differential expression of α1,3GT showed that Sindbis viruses (SINV) preferentially replicate in α1,3GT-positive cells, whereas herpes simplex viruses type 1 and type 2 (HSV-1 and HSV-2) preferentially grow in cells lacking α1,3GT. Viral growth and spread correlated with the ability of the different viruses to successfully initiate infection in the presence or absence of α1,3GT expression. GT knockout (KO) suckling mice infected with SINV strains (AR339 and S.A.AR86) experienced significant delay in onset of disease symptoms and mortality compared to wild-type (WT) B6 suckling mice. In contrast, HSV-2-infected GT KO mice had higher viral titers in spleen and liver and exhibited significantly more focal hepatic necrosis than WT B6 mice. This study demonstrates that α1,3GT activity plays a role in the course of infections for certain viruses. Furthermore, this study has implications for the evolution of resistance to viral infections in primates.

  17. Practical aspects of roadside tests for administrative traffic offences in Germany.

    PubMed

    Steinmeyer, S; Ohr, H; Maurer, H J; Moeller, M R

    2001-09-15

    In the context of the European project ROSITA, the Institut of Legal Medicine Homburg/Saar has co-operated with the Saarland traffic police in order to assess different roadside drug tests for their functionality and reliability in traffic controls, and for their analytical force of evidence. In 254 cases within the time period from June 1999 to December 1999, police officers performed a (voluntary) roadside drug testing in saliva/sweat, or urine, to confirm or refute their initial suspicion that a driver had used drugs. Whereas in 45 cases the tests gave negative results (which were confirmed by lab urinalysis), in 209 cases the police officers ordered blood samples after a positive outcome of the tests. In 203 of the 209 positive cases, the results could be confirmed by GC/MS analysis. Regarding the prevalence of used drugs, a single consumption was found in 156 cases (113 cannabis, 38 amphetamines/methamphetamines, three opiates, two cocaine), and a consumption of two drugs was found in 44 cases (34 cannabis+amphetamines/methamphetamines, five cannabis+opiates, three cannabis + cocaine, two cocaine+amphetamines/methamphetamines). In three cases, multi-consumption was found. In six cases, the performed tests gave an incorrect prediction to the police officer at the roadside.The roadside tests gave 97.6% correct assistance to the police officers in the right direction (79.9% correct positive predictions and 17.7% correct negative predictions). As a consequence, the performed tests can be seen as a positive and needful tool for the police to get an immediate response to their initial suspicion and to take the right steps concerning a following legal action.

  18. Possible Role of a Cell Surface Carbohydrate in Evolution of Resistance to Viral Infections in Old World Primates

    PubMed Central

    Rodriguez, Idalia A.

    2013-01-01

    Due to inactivation of the α1,3-galactosyltransferase gene (GGTA1, or the α1,3GT gene) approximately 28 million years ago, the carbohydrate αGal (Galα1,3Galβ1,4GlcNAc) is not expressed on the cells of Old World monkeys and apes (including humans) but is expressed in all other mammals. The proposed selective advantage of this mutation for these primates is the ability to produce anti-Gal antibodies, which may be an effective immune component in neutralizing αGal-expressing pathogens. However, loss of α1,3GT expression may have been advantageous by providing natural resistance against viral pathogens that exploited the α1,3GT pathway or cell surface αGal for infection. Infections of paired cell lines with differential expression of α1,3GT showed that Sindbis viruses (SINV) preferentially replicate in α1,3GT-positive cells, whereas herpes simplex viruses type 1 and type 2 (HSV-1 and HSV-2) preferentially grow in cells lacking α1,3GT. Viral growth and spread correlated with the ability of the different viruses to successfully initiate infection in the presence or absence of α1,3GT expression. GT knockout (KO) suckling mice infected with SINV strains (AR339 and S.A.AR86) experienced significant delay in onset of disease symptoms and mortality compared to wild-type (WT) B6 suckling mice. In contrast, HSV-2-infected GT KO mice had higher viral titers in spleen and liver and exhibited significantly more focal hepatic necrosis than WT B6 mice. This study demonstrates that α1,3GT activity plays a role in the course of infections for certain viruses. Furthermore, this study has implications for the evolution of resistance to viral infections in primates. PMID:23740988

  19. Longwall mining of thin seams

    SciTech Connect

    Curth, E A

    1981-01-01

    Thin seam operations pose a challenge to the ingenuity of mining engineers to overcome the factor of human inconvenience in the restricted environment and associated high cost production. Surprisingly, low seam longwalls in the Federal Republic of Germany in an average thickness of 35 in. and dipping less than 18/sup 0/ come close to achieving the average production rate of all German longwall operations. They are all plow faces, and a consistent production of 3300 tons per day and a productivity of 40 tons per man shift are reported from one of the thin seam longwalls. These results were attained by reliable high-capacity equipment and roof support by shields that can be collapsed to as low as 22 inches. Maximum mining height for plow operated faces lies at 31.5 inches. Technology for mechanized mining of flat lying coalbeds less than 31.5 inches in thickness without rock cutting is not available, and firmness of coal, undulation of the strata, coalbed thickness variation, and the necessity of cutting rock, particularly through faults, set limits to plow application. The in-web shearer can be used in firm coal to a minimum mining height of 40 inches, and a daily production of 1650 to 2200 tons is reported from a longwall in the Saar district of Germany equipped with such a shearer and shields. Numerous in-web shearers are employed in the United Kingdom; reports as to their success are contradictory. Also, experience in the United States, though limited, has been negative. The steady increase in output from single drum shearer faces in Pennsylvania is a remarkable achievement, and occasional record breaking peaks in production indicate the potential of such mining. Technology development for the future is discussed.

  20. Equation of State and Structure of Electrostatic Colloidal Crystals: Osmotic Pressure and Scattering Study

    NASA Astrophysics Data System (ADS)

    Reus, V.; Belloni, L.; Zemb, T.; Lutterbach, N.; Versmold, H.

    1997-04-01

    Electrostatically stabilized aqueous suspensions of bromopolystyrene particles have been studied by scattering and osmotic pressure measurements. We investigated their structure and the interparticle interactions as a function of the volume fraction at very low salinity of the order of micromole/l. At slow crystallization speed we observe perfect crystals, body centrered cubic crystals by light scattering for volume fractions between 0.04 and 0.7% and face centrered cubic crystals by Ultra Small Angle X ray Scattering (USAXS) for higher volume fractions (2 12%). After shear the crystal displays other structures. At low volume fractions (0.1 0.3%), some reflexions disappear by light scattering whereas a strong diffuse “prepeak" appears before the first Bragg peak for higher concentrations (2 12%) evidenced by USAXS. This “prepeak" can be attributed to defects in the crystal. Osmotic pressures have been measured by difference between the hydrostatic pressure in the solution and in the reservoir separated by an hemipermeable membrane. The experimental data are very well reproduced by the Poisson Boltzmann Cell (PBC) theory which shows that the interaction between particles is purely repulsive. No attractive contribution has been experimentally detected. By calculating the mean square displacement of a particle inside its cage from the eccentric PBC model, we have verified that the Lindemann criterion for the existence of crystals (against melting) is satisfied. This study has allowed to determine the equation of state of an electrostatical colloidal crystal and is equivalent to an ultraprecise force/distance measurement between latex particles since the measured forces are of the order of 10^{-12} N for distances of the order of 4000 Å. Des suspensions aqueuses de particules de bromopolystyrène ont été caractérisées par diffusion de lumière, diffusion de rayons X aux petits angles et par des mesures de pression osmotique. Nous avons ainsi étudié leur

  1. Solar and Stellar Flares over Time: Effects on Hosted Planets

    NASA Astrophysics Data System (ADS)

    Guinan, Edward F.; DeWarf, Laurence E.; Engle, Scott G.; Gropp, Jeffrey

    2016-01-01

    The effects of flares from the Sun on Earth and other solar-system planets are presented. Also discussed are the flare properties of cooler, commonplace main-sequence K-M stars. Data from our "Sun in Time" program are used to study the flare properties of the Sun and solar-type stars from youth to old age. These studies are based on ground-based observations, UV and X-ray space missions (IUE & HST, ROSAT & Chandra) as well as a wealth of data from the Kepler Mission. The ultra-high precision photometry available from the Kepler Mission (and K2) has made it possible to study starspots, flare properties, and rotations of thousands of G, K, M stars. Superflares (defined as E > 10+33 ergs ~X-100 flares) on hundreds of mostly G and K stars have been found. (See e.g. Shibayama et al. 2013; Maehara et al. 2015; Notsu et al. 2013/15; Saar et al. 2015; Guinan et al. 2015). Using our Age-Rotation relations, we determine correlations of flares properties of the Sun and solar-type over a wide range of ages. We also compare these flare histories with the cooler, more common K- and M-type stars. The analysis of these datasets imply that the young Sun had numerous, very powerful flares that may have played major roles the evolution of the early atmospheres of Earth and other terrestrial planets. The strong X-UV fluxes and proton fluences from flares and associated plasmas from coronal mass ejection events can greatly affect the photochemistry of planetary atmospheres as well as ionizing and possibly eroding their atmospheres. Some examples are given. Also discussed are the effects of superflares from the present Sun on the Earth. Even though solar superflares are rarer (~1 per 300-500 yrs) than from the young Sun (> 1-2 per year), they could cause significant damage to our communication and satellite systems, electrical networks, and threaten the lives of astronauts in space..This research is supported by grants from NSF/RUI and NASA: NSF, AST 1009903; Chandra GO2-13020X, HST GO

  2. Mercury levels and trends (1993-2009) in bream (Abramis brama L.) and zebra mussels (Dreissena polymorpha) from German surface waters.

    PubMed

    Lepom, Peter; Irmer, Ulrich; Wellmitz, Jörg

    2012-01-01

    Mercury concentrations have been analysed in bream (Abramis brama L.) and zebra mussels (Dreissena polymorpha) collected at 17 freshwater sites in Germany from 1993-2009 and 1994-2009, respectively, within the German Environmental Specimen programme. Mercury concentrations in bream ranged from 21 to 881 ng g(-1) wet weight with lowest concentrations found at the reference site Lake Belau and highest in fish from the river Elbe and its tributaries. Statistical analysis revealed site-specific differences and significant decreasing temporal trends in mercury concentrations at most of the sampling sites. The decrease in mercury levels in bream was most pronounced in fish from the river Elbe and its tributary Mulde, while in fish from the river Saale mercury levels increased. Temporal trends seem to level off in recent years. Mercury concentrations in zebra mussels were much lower than those in bream according to their lower trophic position and varied by one order of magnitude from 4.1 to 42 ng g(-1) wet weight (33-336 ng g(-1) dry weight). For zebra mussels, trend analyses were performed for seven sampling sites at the rivers Saar and Elbe of which three showed significant downward trends. There was a significant correlation of the geometric mean concentrations in bream and zebra mussel over the entire study period at each sampling site (Pearson's correlation coefficient=0.892, p=0.00002). A comparison of the concentrations in bream with the environmental quality standard (EQS) of 20 ng g(-1) wet weight set for mercury in biota by the EU showed that not a single result was in compliance with this limit value, not even those from the reference site. Current mercury levels in bream from German rivers exceed the EQS by a factor 4.5-20. Thus, piscivorous top predators are still at risk of secondary poisoning by mercury exposure via the food chain. It was suggested focusing monitoring of mercury in forage fish (trophic level 3 or 4) for compliance checking with the EQS for

  3. First experiences with an individual nasal olive in patients with hereditary haemorrhagic telangiectasia (HHT).

    PubMed

    Al Kadah, Basel; Papaspyrou, George; Schneider, Mathias; Schick, Bernhard

    2015-01-01

    Hereditary haemorrhagic teleangiectasia (HHT) is most notably characterized by vulnerable vascular formations of the nasal superficial mucosa. Epistaxis is one of the most common symptoms of the afflicted patients, with an incidence of more than 90 %. A variable series of treatments have been described, ranging from nasal ointments to the complete surgical occlusion of the nose. The objective of this pilot study is the presentation of first experiences in treating patients suffering from HHT and chronically recurrent epistaxis with an individual nasal olive made from silicone. Eleven patients (six men, five women) aging from 44 to 80 years with known HHT were treated at the ENT department of Homburg/Saar between October 2008 and July 2012 because of nasal bleeding by Nd:YAG laser or argon plasma coagulation. After the surgical treatment, an imprint of the nasal aditus was taken to manufacture an individual custom-made silicone nasal olive. Patients were wearing the nasal olive for 3-8 h a day. Check-ups were made every 6 months. Epistaxis severity score (ESS) was used pre- and post-nasal olive application. The observation period was 12-48 months. The utilization of the silicone nasal olive led to a distinct reduction of epistaxis events. Apart from the nasal olive, our patients needed no further treatment of the nose during the observation period except for a nasal ointment. Insertion and removal of the nasal olive were handled by the patients themselves. The local manipulation in handling the nasal olive caused no epistaxis itself. A significant improvement of the ESS and satisfaction was reported in all patients. Use of an individually manufactured silicone nasal olive is a promising extension to the established treatments of epistaxis in HHT patients. Tolerance towards this treatment by the patients was high due to the low personal burden and encumbrance. The extended use of the presented method in HHT patients may be beneficial. However, a more prolonged

  4. Modifications of transaxillary approach in endoscopic da Vinci-assisted thyroid and parathyroid gland surgery.

    PubMed

    Al Kadah, Basel; Piccoli, Micaela; Mullineris, Barbara; Colli, Giovanni; Janssen, Martin; Siemer, Stephan; Schick, Bernhard

    2015-03-01

    Endoscopic surgery for treatment of thyroid and parathyroid pathologies is increasingly gaining attention. The da Vinci system has already been widely used in different fields of medicine and quite recently in thyroid and parathyroid surgery. Herein, we report about modifications of the transaxillary approach in endoscopic surgery of thyroid and parathyroid gland pathologies using the da Vinci system. 16 patients suffering from struma nodosa in 14 cases and parathyroid adenomas in two cases were treated using the da Vinci system at the ENT Department of Homburg/Saar University and in cooperation with the Department of General Surgery in New Sant'Agostino Hospital, Modena/Italy. Two different retractors, endoscopic preparation of the access and three different incision modalities were used. The endoscopic preparation of the access allowed us to have a better view during preparation and reduced surgical time compared to the use of a headlamp. To introduce the da Vinci instruments at the end of the access preparation, the skin incisions were over the axilla with one incision in eight patients, two incisions in four patients and three incisions in a further four patients. The two and three skin incisions modality allowed introduction of the da Vinci instruments without arm conflicts. The use of a new retractor (Modena retractor) compared to a self-developed retractor made it easier during the endoscopic preparation of the access and the reposition of the retractor. The scar was hidden in the axilla and independent of the incisions selected, the cosmetic findings were judged by the patients to be excellent. The neurovascular structures such as inferior laryngeal nerve, superior laryngeal nerve and vessels, as well as the different pathologies, were clearly 3D visualized in all 16 cases. No paralysis of the vocal cord was observed. All patients had a benign pathology in their histological examination. The endoscopic surgery of the thyroid and parathyroid gland can be

  5. Role of Yield Stress in Magma Rheology

    NASA Astrophysics Data System (ADS)

    Kurokawa, A.; Di Giuseppe, E.; Davaille, A.; Kurita, K.

    2012-04-01

    Magmas are essentially multiphase material composed of solid crystals, gaseous bubbles and silicate liquids. They exhibit various types of drastic change in rheology with variation of mutual volumetric fractions of the components. The nature of this variable rheology is a key factor in controlling dynamics of flowing magma through a conduit. Particularly the existence of yield stress in flowing magma is expected to control the wall friction and formation of density waves. As the volumetric fraction of solid phase increases yield stress emerges above the critical fraction. Several previous studies have been conducted to clarify this critical value of magmatic fluid both in numerical simulations and laboratory experiments ([Lejeune and Pascal, 1995], [Saar and Manga 2001], [Ishibashi and Sato 2010]). The obtained values range from 13.3 to 40 vol%, which display wide variation and associated change in rheology has not been clarified well. In this presentation we report physical mechanism of emergence of yield stress in suspension as well as the associated change in the rheology based on laboratory experiments using analog material. We utilized thermogel aqueous suspension as an analog material of multiphase magma. Thermogel, which is a commercial name for poly(N-isopropyl acrylamide) (PNIPAM) undergoes volumetric phase change at the temperature around 35C:below this temperature the gel phase absorbs water and swells while below this it expels water and its volume shrinks. Because of this the volumetric fraction of gel phase systematically changes with temperature and the concentration of gel powder. The viscosity measured at lower stress drastically decreases across this phase change with increasing temperature while the viscosity at higher stress does not exhibit large change across the transition. We have performed a series of rheological measurements focusing on the emergence of yield stress on this aqueous suspension. Since the definition of yield stress is not

  6. Groundmass Crystallization of A'a and Pahoehoe flows of Cerro Azul, Galapagos and Mauna Loa, Hawaii

    NASA Astrophysics Data System (ADS)

    Teasdale, R.; Geist, D.; Wanless, D.; Cashman, K.

    2001-12-01

    a'a. Interestingly, Etna magmas have both high Al2O3 and high volatile contents that drive extensive pre-eruptive degassing-induced plagioclase crystallization (5). (1) Barnard, 1990 (2) Philpotts and Carroll, 1996 (3) Saar et al., 2001 (4) Rowland, 1996 (5) Sparks and Pinkerton, 1978

  7. Lost in the Dark: A proto-history of dark matter

    NASA Astrophysics Data System (ADS)

    Trimble, Virginia L.; History 1

    2016-01-01

    Einasto, Kaasik, and Saar (published in Nature, in case you are thinking of more Meddelande). I feel enormous respect and affection for Vera Rubin and Fritz Zwicky, but the published papers as are they are.

  8. Mercury levels and trends (1993-2009) in bream (Abramis brama L.) and zebra mussels (Dreissena polymorpha) from German surface waters.

    PubMed

    Lepom, Peter; Irmer, Ulrich; Wellmitz, Jörg

    2012-01-01

    Mercury concentrations have been analysed in bream (Abramis brama L.) and zebra mussels (Dreissena polymorpha) collected at 17 freshwater sites in Germany from 1993-2009 and 1994-2009, respectively, within the German Environmental Specimen programme. Mercury concentrations in bream ranged from 21 to 881 ng g(-1) wet weight with lowest concentrations found at the reference site Lake Belau and highest in fish from the river Elbe and its tributaries. Statistical analysis revealed site-specific differences and significant decreasing temporal trends in mercury concentrations at most of the sampling sites. The decrease in mercury levels in bream was most pronounced in fish from the river Elbe and its tributary Mulde, while in fish from the river Saale mercury levels increased. Temporal trends seem to level off in recent years. Mercury concentrations in zebra mussels were much lower than those in bream according to their lower trophic position and varied by one order of magnitude from 4.1 to 42 ng g(-1) wet weight (33-336 ng g(-1) dry weight). For zebra mussels, trend analyses were performed for seven sampling sites at the rivers Saar and Elbe of which three showed significant downward trends. There was a significant correlation of the geometric mean concentrations in bream and zebra mussel over the entire study period at each sampling site (Pearson's correlation coefficient=0.892, p=0.00002). A comparison of the concentrations in bream with the environmental quality standard (EQS) of 20 ng g(-1) wet weight set for mercury in biota by the EU showed that not a single result was in compliance with this limit value, not even those from the reference site. Current mercury levels in bream from German rivers exceed the EQS by a factor 4.5-20. Thus, piscivorous top predators are still at risk of secondary poisoning by mercury exposure via the food chain. It was suggested focusing monitoring of mercury in forage fish (trophic level 3 or 4) for compliance checking with the EQS for

  9. Using geoinformatics and cultural anthropology to identify links between land change, driving forces and actors in the Okavango catchment

    NASA Astrophysics Data System (ADS)

    Röder, Achim; Stellmes, Marion; Pröpper, Michael; Schneibel, Anne

    2015-04-01

    central institutions and are implemented in different ways at subordinate levels. Commonly, communities make their own decisions regarding the use of natural resources within the framework of statutory and traditional governance and national legislation. The Permanent Okavango River Basin Water Commission (OKACOM) has been created between Angola, Namibia and Botswana to deal with transboundary subjects and facilitate informed policies. Developing such informed policies is even more urgent given demographic and climatological predictions. The African population is expected to almost double by the end of this century (Haub 2012), while climate predictions indicate an overall increase in average temperatures, added to by an increase in dry spells during the wet season and overall decreases in precipitation (IPCC 2013). This will result in increasing demands for food, paralleled by less favorable production conditions. The appropriation of resources in the wider region is therefore characterized by various, potentially conflicting demands that are likely to accumulate in space and time (Röder, Stellmes et al. 2013). A particular constraint draws from upstream-downstream issues, with a predicted increase in upstream water utilization for drinking and irrigation, while the Delta region relies on regular flood pulses of clean water to sustain its biodiversity, to which the tourist sector as a major source of national income is linked. This is threatened by the increasing concentrations of pesticides and herbicides used in the frame of irrigation schemes lowering water quality, and the change of flood pulse cycles through damming projects (Lindemann 2009). Besides national policies and regional planning programs, an equally important element in understanding the utilization of natural resources is the individual perspective of actors that may range from the conservation of traditions and cultures to stronger market integration and consumerism (Pröpper, Falk et al. 2013) that

  10. PREFACE: 3rd International Workshop on Infrared Plasma Spectroscopy

    NASA Astrophysics Data System (ADS)

    Davies, P. B.; Röpcke, Jürgen; Hempel, Frank

    2009-07-01

    the scientific committee felt that this time it would be useful to emphasise new spectroscopic developments as well as covering applications. This might serve as a guide as to where the subject of infrared spectroscopy in combination with plasma sources might be heading in the future i.e. to emphasize pure infrared spectroscopy developments. The first invited lecture (G Guelachvili and N Picque) and the last invited lecture (F K Tittel, Y Bakhirkin, R Curl, A Kosterev, R Lewicki, D Thomasz and S So) were chosen to set the scene and realise this objective. The second (R Engeln, R Zijlmans, S Welzel, O Gabriel, J-P van Helden, J Röpcke and D Schram) and third (X Aubert, C Lazzaroni, D Marinov, O Guaitella, S Welzel, A Pipa, J Röpcke and A Rousseau) invited talks focussed on the application of the IR laser techniques with particular emphasis on the role of surfaces in plasmas and the relevance of plasma surface interactions. Surface plasma interactions did not feature strongly in the two earlier meetings and so this topic too, along with the emphasis on novel infrared spectroscopy techniques, represents a new direction for the conference. Paul B Davies and Jürgen Röpcke International Scientific Committee P B Davies, Cambridge, UK: Chair J Röpcke, Greifswald, Germany: Co-Chair R Engeln, Eindhoven, Netherlands G Hancock, Oxford, U K M Hori, Nagoya, Japan H Linnartz, Leiden, Netherlands R Martini, New York, USA J Meichsner, Greifswald, Germany A Rousseau, Paris, France Local Organizing Committee J Röpcke (INP: Chair) F Hempel (INP: Secretary) J Meichsner (IfP, University of Greifswald) N Lang (INP) L Glawe (INP) C Krcka (INP) B Lindemann (INP) Conference photograph

  11. An ab initio study of the nickel-catalyzed transformation of amorphous carbon into graphene in rapid thermal processing

    NASA Astrophysics Data System (ADS)

    Chen, Shuang; Xiong, Wei; Zhou, Yun Shen; Lu, Yong Feng; Zeng, Xiao Cheng

    2016-05-01

    Ni). It is found that the a-C-to-graphene transformation entails the metal-induced crystallization and layer exchange mechanism, rather than the conventional dissolution/precipitation mechanism typically involved in Ni-catalyzed chemical vapor deposition (CVD) growth of graphene. The multi-layer graphene can be tuned by changing the relative thicknesses of deposited a-C and Ni thin films. Our AIMD simulations suggest that the easy evaporation of surplus Ni with excess C is likely attributed to the formation of a viscous-liquid-like Ni-C solution within the temperature range of 900-1800 K and to the faster diffusion of C atoms than that of Ni atoms above 600 K. Even at room temperature, sp3-C atoms in a-C are quickly converted to sp2-C atoms in the course of the simulation, and the graphitic C formation can occur at low temperature. When the temperature is as high as 1200 K, the grown graphitic structures reversely dissolve into Ni. Because the rate of temperature increase is considerably faster in the AIMD simulations than in realistic experiments, defects in the grown graphitic structures are kinetically trapped. In this kinetic growth stage, the carbon structures grown from sp3-carbon or from sp2-carbon exhibit marked differences. Electronic supplementary information (ESI) available: Formation energies of Ni-Ni, Ni-C, and C-C atoms as a function of intermolecular distance in Fig. S1, the whole supercells with the vacuum layer of Models I and VII in Fig. S2, and the initial and final configurations (Fig. S3), MSD-time curves (Fig. S4), diffusion coefficients (Table S1), and Lindemann index (Fig. S5) of four new models (VIII-XI). See DOI: 10.1039/c5nr08614k

  12. Multi-Atom Resonant Photoemission

    NASA Astrophysics Data System (ADS)

    Kay, Alex; Yang, See-Hun; Garcia de Abajo, F. J.; Elke, Arenholz; Mun, Bongjin S.; Mannella, Norman; Zhao, Limin; Hussain, Zahid; van Hove, Michel; Fadley, Charles S.

    2001-03-01

    . Saar, and I. Martinson, Sol. St. Commun. 115, 275 (2000). [4] F.J. Garcia de Abajo, C.S. Fadley, and M.A. Van Hove, Phys. Rev. Letters 82, 4126 (1999). [5] K.L.I. Kobayashi, N. Watanabe, H. Nakashima, M. Kubota, H. Daimon, and Y. Murata, Phys. Rev. Lett. 52, 160 (1984). [6] P. Pervan, M. Milun, and D.P. Woodruff, Phys. Rev. Lett. 81, 4995 (1999). [7] Y.F. Hu, G.M. Bancroft, and K.H. Tan, Inorganic Chemistry 39, 1255-1264 (2000), and paper in this conference. [8] H. Wang, O. Hemmers, P. Focke, M. M. Sant'Anna, D. Lukic, C. Heske, R. C. C. Perera, I. Sellin and D. Lindle, private communication.

  13. Outcrop analogue study of Permocarboniferous geothermal sandstone reservoir formations (northern Upper Rhine Graben, Germany): impact of mineral content, depositional environment and diagenesis on petrophysical properties

    NASA Astrophysics Data System (ADS)

    Aretz, Achim; Bär, Kristian; Götz, Annette E.; Sass, Ingo

    2016-07-01

    The Permocarboniferous siliciclastic formations represent the largest hydrothermal reservoir in the northern Upper Rhine Graben in SW Germany and have so far been investigated in large-scale studies only. The Cenozoic Upper Rhine Graben crosses the Permocarboniferous Saar-Nahe Basin, a Variscan intramontane molasse basin. Due to the subsidence in this graben structure, the top of the up to 2-km-thick Permocarboniferous is located at a depth of 600-2900 m and is overlain by Tertiary and Quaternary sediments. At this depth, the reservoir temperatures exceed 150 °C, which are sufficient for geothermal electricity generation with binary power plants. To further assess the potential of this geothermal reservoir, detailed information on thermophysical and hydraulic properties of the different lithostratigraphical units and their depositional environment is essential. Here, we present an integrated study of outcrop analogues and drill core material. In total, 850 outcrop samples were analyzed, measuring porosity, permeability, thermal conductivity and thermal diffusivity. Furthermore, 62 plugs were taken from drillings that encountered or intersected the Permocarboniferous at depths between 1800 and 2900 m. Petrographic analysis of 155 thin sections of outcrop samples and samples taken from reservoir depth was conducted to quantify the mineral composition, sorting and rounding of grains and the kind of cementation. Its influence on porosity, permeability, the degree of compaction and illitization was quantified. Three parameters influencing the reservoir properties of the Permocarboniferous were detected. The strongest and most destructive influence on reservoir quality is related to late diagenetic processes. An illitic and kaolinitic cementation and impregnation of bitumina document CO2- and CH4-rich acidic pore water conditions, which are interpreted as fluids that migrated along a hydraulic contact from an underlying Carboniferous hydrocarbon source rock. Migrating

  14. Late-Variscan rare metal ore deposition and plume-related magmatism in the eastern European Variscides (D, CZ)

    NASA Astrophysics Data System (ADS)

    Seifert, Thomas

    2014-05-01

    includes a range of mafic calc-alkaline and shoshonitic rock types, and lamprophyres (spessartites and camptonites) with age data between 300-270 Ma. The Mid-European Variscides show a large number of Permo-Carboniferous magmatic complexes with similar ages (Halle Volcanic Complex, Saar-Nahe Basin, Thuringian Forest, Harz Mts., Northwest-Saxonian Volcanic Complexes, bimodal volcanic rocks of the Sub-Erzgebirge basin and the Rhyolite Complex of Tharandt as well as Li-F-Sn small intrusion granites and lamprophyric intrusions in the Erzgebirge. It is important to note that the late-Variscan W-Mo, Sn-W-Mo, Ag-bearing Sn-In-base metal, Ag-Sb-base metal, and U mineralizations in the Erzgebirge-Krušné hory are spatially and temporal associated with intrusion centers of Permo-Carboniferous post-collisional mafic and rhyolitic (sub)volcanic bimodal magmatism (315-290 Ma) along deep-rooted NW-SE fault zones, especially at the intersections with NE-SW, E-W, and N-S major regional structural zones. The bimodal lamprophyre-rhyolite assemblage in the Erzgebirge / Sub-Erzgebirge basin area was formed during intracontinental rifting in a 'Fast Extension' setting by melting of a metasomatic enriched mantle source. The emplacement of fluid-enriched lamprophyres and F-rich rhyolitic intrusions at the same time is probably associated with decompression melting of updoming asthenosphere which is possibly associated with the above mentioned mantle plume.

  15. Using geoinformatics and cultural anthropology to identify links between land change, driving forces and actors in the Okavango catchment

    NASA Astrophysics Data System (ADS)

    Röder, Achim; Stellmes, Marion; Pröpper, Michael; Schneibel, Anne

    2015-04-01

    central institutions and are implemented in different ways at subordinate levels. Commonly, communities make their own decisions regarding the use of natural resources within the framework of statutory and traditional governance and national legislation. The Permanent Okavango River Basin Water Commission (OKACOM) has been created between Angola, Namibia and Botswana to deal with transboundary subjects and facilitate informed policies. Developing such informed policies is even more urgent given demographic and climatological predictions. The African population is expected to almost double by the end of this century (Haub 2012), while climate predictions indicate an overall increase in average temperatures, added to by an increase in dry spells during the wet season and overall decreases in precipitation (IPCC 2013). This will result in increasing demands for food, paralleled by less favorable production conditions. The appropriation of resources in the wider region is therefore characterized by various, potentially conflicting demands that are likely to accumulate in space and time (Röder, Stellmes et al. 2013). A particular constraint draws from upstream-downstream issues, with a predicted increase in upstream water utilization for drinking and irrigation, while the Delta region relies on regular flood pulses of clean water to sustain its biodiversity, to which the tourist sector as a major source of national income is linked. This is threatened by the increasing concentrations of pesticides and herbicides used in the frame of irrigation schemes lowering water quality, and the change of flood pulse cycles through damming projects (Lindemann 2009). Besides national policies and regional planning programs, an equally important element in understanding the utilization of natural resources is the individual perspective of actors that may range from the conservation of traditions and cultures to stronger market integration and consumerism (Pröpper, Falk et al. 2013) that