510 research outputs found
Atomistic studies of transformation pathways and energetics in plutonium
One of the most challenging problems in understanding the structural phase
transformations in Pu is to determine the energetically favored, continuous
atomic pathways from one crystal symmetry to another. This problem involves
enumerating candidate pathways and studying their energetics to garner insight
into instabilities and energy barriers. The purpose of this work is to
investigate the energetics of two transformation pathways for the delta to
alpha' transformation in Pu that were recently proposed [Lookman et al., Phys.
Rev. Lett. 100:145504, 2008] on the basis of symmetry. These pathways require
the presence of either an intermediate hexagonal closed-packed (hcp) structure
or a simple hexagonal (sh) structure. A subgroup of the parent fcc and the
intermediate hexagonal structure, which has trigonal symmetry, facilitates the
transformation to the intermediate hcp or sh structure. Phonons then break the
translational symmetry from the intermediate hcp or sh structure to the final
monoclinic symmetry of the alpha' structure. We perform simulations using the
modified embedded atom method (MEAM) for Pu to investigate these candidate
pathways. Our main conclusion is that the path via hcp is energetically favored
and the volume change for both pathways essentially occurs in the second step
of the transformation, i.e. from the intermediate sh or hcp to the monoclinic
structure. Our work also highlights the deficiency of the current
state-of-the-art MEAM potential in capturing the anisotropy associated with the
lower symmetry monoclinic structure.Comment: 12 pages, 5 figures, accepted for publication in Philos. Ma
Broad-Scale Climate Influences on Spring-Spawning Herring (Clupea harengus, L.) Recruitment in the Western Baltic Sea
Climate forcing in complex ecosystems can have profound implications for ecosystem sustainability and may thus challenge a precautionary ecosystem management. Climatic influences documented to affect various ecological functions on a global scale, may themselves be observed on quantitative or qualitative scales including regime shifts in complex marine ecosystems. This study investigates the potential climatic impact on the reproduction success of spring-spawning herring (Clupea harengus) in the Western Baltic Sea (WBSS herring). To test for climate effects on reproduction success, the regionally determined and scientifically well-documented spawning grounds of WBSS herring represent an ideal model system. Climate effects on herring reproduction were investigated using two global indices of atmospheric variability and sea surface temperature, represented by the North Atlantic Oscillation (NAO) and the Atlantic Multi-decadal Oscillation (AMO), respectively, and the Baltic Sea Index (BSI) which is a regional-scale atmospheric index for the Baltic Sea. Moreover, we combined a traditional approach with modern time series analysis based on a recruitment model connecting parental population components with reproduction success. Generalized transfer functions (ARIMAX models) allowed evaluating the dynamic nature of exogenous climate processes interacting with the endogenous recruitment process. Using different model selection criteria our results reveal that in contrast to NAO and AMO, the BSI shows a significant positive but delayed signal on the annual dynamics of herring recruitment. The westward influence of the Siberian high is considered strongly suppressing the influence of the NAO in this area leading to a higher explanatory power of the BSI reflecting the atmospheric pressure regime on a North-South transect between Oslo, Norway and Szczecin, Poland. We suggest incorporating climate-induced effects into stock and risk assessments and management strategies as part of the EU ecosystem approach to support sustainable herring fisheries in the Western Baltic Sea
On the incompatibility of strains and its application to mesoscopic studies of plasticity
Structural transitions are invariably affected by lattice distortions. If the
body is to remain crack-free, the strain field cannot be arbitrary but has to
satisfy the Saint-Venant compatibility constraint. Equivalently, an
incompatibility constraint consistent with the actual dislocation network has
to be satisfied in media with dislocations. This constraint can be incorporated
into strain-based free energy functionals to study the influence of
dislocations on phase stability. We provide a systematic analysis of this
constraint in three dimensions and show how three incompatibility equations
accommodate an arbitrary dislocation density. This approach allows the internal
stress field to be calculated for an anisotropic material with spatially
inhomogeneous microstructure and distribution of dislocations by minimizing the
free energy. This is illustrated by calculating the stress field of an edge
dislocation and comparing it with that of an edge dislocation in an infinite
isotropic medium. We outline how this procedure can be utilized to study the
interaction of plasticity with polarization and magnetization.Comment: 6 pages, 2 figures; will appear in Phys. Rev.
Long-term dynamics of adaptive evolution in a globally important phytoplankton species to ocean acidification
Marine phytoplankton may adapt to ocean change, such as acidification or warming, because of their large population sizes and short generation times. Long-term adaptation to novel environments is a dynamic process, and phenotypic change can take place thousands of generations after exposure to novel conditions. We conducted a long-term evolution experiment (4 years = 2100 generations), starting with a single clone of the abundant and widespread coccolithophore Emiliania huxleyi exposed to three different CO2 levels simulating ocean acidification (OA). Growth rates as a proxy for Darwinian fitness increased only moderately under both levels of OA [+3.4% and +4.8%, respectively, at 1100 and 2200 ÎŒatm partial pressure of CO2 (Pco2)] relative to control treatments (ambient CO2, 400 ÎŒatm). Long-term adaptation to OA was complex, and initial phenotypic responses of ecologically important traits were later reverted. The biogeochemically important trait of calcification, in particular, that had initially been restored within the first year of evolution was later reduced to levels lower than the performance of nonadapted populations under OA. Calcification was not constitutively lost but returned to control treatment levels when high CO2âadapted isolates were transferred back to present-day control CO2 conditions. Selection under elevated CO2 exacerbated a general decrease of cell sizes under long-term laboratory evolution. Our results show that phytoplankton may evolve complex phenotypic plasticity that can affect biogeochemically important traits, such as calcification. Adaptive evolution may play out over longer time scales (>1 year) in an unforeseen way under future ocean conditions that cannot be predicted from initial adaptation responses
Effect of Particle Wettability and Particle Concentration on the Enzymatic Dehydration of n-Octanaloxime in Pickering Emulsions
© 2020 The Authors. Angewandte Chemie International Edition published by Wiley-VCH GmbH Pickering emulsion systems have emerged as platforms for the synthesis of organic molecules in biphasic biocatalysis. Herein, the catalytic performance was evaluated for biotransformation using whole cells exemplified for the dehydration of n-octanaloxime to n-octanenitrile catalysed by an aldoxime dehydratase (OxdB) overexpressed in E. coli. This study was carried out in Pickering emulsions stabilised solely with silica particles of different hydrophobicity. We correlate, for the first time, the properties of the emulsions with the conversion of the reaction, thus gaining an insight into the impact of the particle wettability and particle concentration. When comparing two emulsions of different type with similar stability and droplet diameter, the oil-in-water (o/w) system displayed a higher conversion than the water-in-oil (w/o) system, despite the conversion in both cases being higher than that in a âclassicâ two-phase system. Furthermore, an increase in particle concentration prior to emulsification resulted in an increase of the interfacial area and hence a higher conversion
The influence of transition metal solutes on dislocation core structure and values of Peierls stress and barrier in tungsten
Several transition metals were examined to evaluate their potential for
improving the ductility of tungsten. The dislocation core structure and Peierls
stress and barrier of screw dislocations in binary
tungsten-transition metal alloys (WTM) were investigated using
first principles electronic structure calculations. The periodic quadrupole
approach was applied to model the structure of dislocation. Alloying
with transition metals was modeled using the virtual crystal approximation and
the applicability of this approach was assessed by calculating the equilibrium
lattice parameter and elastic constants of the tungsten alloys. Reasonable
agreement was obtained with experimental data and with results obtained from
the conventional supercell approach. Increasing the concentration of a
transition metal from the VIIIA group, i.e. the elements in columns headed by
Fe, Co and Ni, leads to reduction of the elastic constant and
increase of elastic anisotropy A=. Alloying W with a group
VIIIA transition metal changes the structure of the dislocation core from
symmetric to asymmetric, similar to results obtained for WRe
alloys in the earlier work of Romaner {\it et al} (Phys. Rev. Lett. 104, 195503
(2010))\comments{\cite{WRECORE}}. In addition to a change in the core symmetry,
the values of the Peierls stress and barrier are reduced. The latter effect
could lead to increased ductility in a tungsten-based
alloy\comments{\cite{WRECORE}}. Our results demonstrate that alloying with any
of the transition metals from the VIIIA group should have similar effect as
alloying with Re.Comment: 12 pages, 8 figures, 3 table
An Introduction to Nuclear Supersymmetry: a Unification Scheme for Nuclei
The main ideas behind nuclear supersymmetry are presented, starting from the
basic concepts of symmetry and the methods of group theory in physics. We
propose new, more stringent experimental tests that probe the supersymmetry
classification in nuclei and point out that specific correlations should exist
for particle transfer intensities among supersymmetric partners. We also
discuss possible ways to generalize these ideas to cases where no dynamical
symmetries are present. The combination of these theoretical and experimental
studies may play a unifying role in nuclear phenomena.Comment: 40 pages, 11 figures, lecture notes `VIII Hispalensis International
Summer School: Exotic Nuclear Physics', Oromana, Sevilla, Spain, June 9-21,
200
Stability estimates for resolvents, eigenvalues and eigenfunctions of elliptic operators on variable domains
We consider general second order uniformly elliptic operators subject to
homogeneous boundary conditions on open sets parametrized by
Lipschitz homeomorphisms defined on a fixed reference domain .
Given two open sets , we estimate the
variation of resolvents, eigenvalues and eigenfunctions via the Sobolev norm
for finite values of , under
natural summability conditions on eigenfunctions and their gradients. We prove
that such conditions are satisfied for a wide class of operators and open sets,
including open sets with Lipschitz continuous boundaries. We apply these
estimates to control the variation of the eigenvalues and eigenfunctions via
the measure of the symmetric difference of the open sets. We also discuss an
application to the stability of solutions to the Poisson problem.Comment: 34 pages. Minor changes in the introduction and the refercenes.
Published in: Around the research of Vladimir Maz'ya II, pp23--60, Int. Math.
Ser. (N.Y.), vol. 12, Springer, New York 201
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