3,589 research outputs found
Thermodynamically Stable One-Component Metallic Quasicrystals
Classical density-functional theory is employed to study finite-temperature
trends in the relative stabilities of one-component quasicrystals interacting
via effective metallic pair potentials derived from pseudopotential theory.
Comparing the free energies of several periodic crystals and rational
approximant models of quasicrystals over a range of pseudopotential parameters,
thermodynamically stable quasicrystals are predicted for parameters approaching
the limits of mechanical stability of the crystalline structures. The results
support and significantly extend conclusions of previous ground-state
lattice-sum studies.Comment: REVTeX, 13 pages + 2 figures, to appear, Europhys. Let
Electroneutrality and Phase Behavior of Colloidal Suspensions
Several statistical mechanical theories predict that colloidal suspensions of
highly charged macroions and monovalent microions can exhibit unusual
thermodynamic phase behavior when strongly deionized. Density-functional,
extended Debye-H\"uckel, and response theories, within mean-field and
linearization approximations, predict a spinodal phase instability of charged
colloids below a critical salt concentration. Poisson-Boltzmann cell model
studies of suspensions in Donnan equilibrium with a salt reservoir demonstrate
that effective interactions and osmotic pressures predicted by such theories
can be sensitive to the choice of reference system, e.g., whether the microion
density profiles are expanded about the average potential of the suspension or
about the reservoir potential. By unifying Poisson-Boltzmann and response
theories within a common perturbative framework, it is shown here that the
choice of reference system is dictated by the constraint of global
electroneutrality. On this basis, bulk suspensions are best modeled by
density-dependent effective interactions derived from a closed reference system
in which the counterions are confined to the same volume as the macroions.
Linearized theories then predict bulk phase separation of deionized suspensions
only when expanded about a physically consistent (closed) reference system.
Lower-dimensional systems (e.g., monolayers, small clusters), depending on the
strength of macroion-counterion correlations, may be governed instead by
density-independent effective interactions tied to an open reference system
with counterions dispersed throughout the reservoir, possibly explaining
observed structural crossover in colloidal monolayers and anomalous
metastability of colloidal crystallites.Comment: 12 pages, 5 figures. Discussion clarified, references adde
Charge Renormalization, Effective Interactions, and Thermodynamics of Deionized Colloidal Suspensions
Thermodynamic properties of charge-stabilised colloidal suspensions depend
sensitively on the effective charge of the macroions, which can be
substantially lower than the bare charge in the case of strong
counterion-macroion association. A theory of charge renormalization is
proposed, combining an effective one-component model of charged colloids with a
thermal criterion for distinguishing between free and associated counterions.
The theory predicts, with minimal computational effort, osmotic pressures of
deionized suspensions of highly charged colloids in close agreement with
large-scale simulations of the primitive model.Comment: 15 pages, 7 figure
Poisson-Boltzmann Theory of Charged Colloids: Limits of the Cell Model for Salty Suspensions
Thermodynamic properties of charge-stabilised colloidal suspensions are
commonly modeled by implementing the mean-field Poisson-Boltzmann (PB) theory
within a cell model. This approach models a bulk system by a single macroion,
together with counterions and salt ions, confined to a symmetrically shaped,
electroneutral cell. While easing solution of the nonlinear PB equation, the
cell model neglects microion-induced correlations between macroions, precluding
modeling of macroion ordering phenomena. An alternative approach, avoiding
artificial constraints of cell geometry, maps a macroion-microion mixture onto
a one-component model of pseudo-macroions governed by effective interactions.
In practice, effective-interaction models are usually based on linear screening
approximations, which can accurately describe nonlinear screening only by
incorporating an effective (renormalized) macroion charge. Combining charge
renormalization and linearized PB theories, in both the cell model and an
effective-interaction (cell-free) model, we compute osmotic pressures of highly
charged colloids and monovalent microions over a range of concentrations. By
comparing predictions with primitive model simulation data for salt-free
suspensions, and with predictions of nonlinear PB theory for salty suspensions,
we chart the limits of both the cell model and linear-screening approximations
in modeling bulk thermodynamic properties. Up to moderately strong
electrostatic couplings, the cell model proves accurate in predicting osmotic
pressures of deionized suspensions. With increasing salt concentration,
however, the relative contribution of macroion interactions grows, leading
predictions of the cell and effective-interaction models to deviate. No
evidence is found for a liquid-vapour phase instability driven by monovalent
microions. These results may guide applications of PB theory to soft materials.Comment: 27 pages, 5 figures, special issue of Journal of Physics: Condensed
Matter on "Classical density functional theory methods in soft and hard
matter
Neuroimaging evidence implicating cerebellum in support of sensory/cognitive processes associated with thirst.
Recent studies implicate the cerebellum, long considered strictly a motor control structure, in cognitive, sensory, and affective phenomenon. The cerebellum, a phylogenetically ancient structure, has reciprocal ancient connections to the hypothalamus, a structure important in vegetative functions. The present study investigated whether the cerebellum was involved in vegetative functions and the primal emotions engendered by them. Using positron emission tomography, we examined the effects on the cerebellum of the rise of plasma sodium concentration and the emergence of thirst in 10 healthy adults. The correlation of regional cerebral blood flow with subjects' ratings of thirst showed major activation in the vermal central lobule. During the development of thirst, the anterior and posterior quadrangular lobule, lingula, and the vermis were activated. At maximum thirst and then during irrigation of the mouth with water to alleviate dryness, the cerebellum was less activated. However, 3 min after drinking to satiation, the anterior quadrangular lobule and posterior cerebellum were highly activated. The increased cerebellar activity was not related to motor behavior as this did not occur. Instead, responses in ancient cerebellar regions (vermis, fastigal nucleus, archicerebellum) may be more directly related to vegetative and affective aspects of thirst experiences, whereas activity in neocerebellar (posterior) regions may be related to sensory and cognitive aspects. Moreover, the cerebellum is apparently not involved in the computation of thirst per se but rather is activated during changes in thirst/satiation state when the brain is "vigilant" and is monitoring its sensory systems. Some neocerebellar activity may also reflect an intentionality for gratification by drinking inherent in the consciousness of thirst
Freezing of He-4 and its liquid-solid interface from Density Functional Theory
We show that, at high densities, fully variational solutions of solid-like
type can be obtained from a density functional formalism originally designed
for liquid 4He. Motivated by this finding, we propose an extension of the
method that accurately describes the solid phase and the freezing transition of
liquid 4He at zero temperature. The density profile of the interface between
liquid and the (0001) surface of the 4He crystal is also investigated, and its
surface energy evaluated. The interfacial tension is found to be in
semiquantitative agreement with experiments and with other microscopic
calculations. This opens the possibility to use unbiased DF methods to study
highly non-homogeneous systems, like 4He interacting with strongly attractive
impurities/substrates, or the nucleation of the solid phase in the metastable
liquid.Comment: 5 pages, 4 figures, submitted to Phys. Rev.
Evaluating Unpaid Time Contributions by Seniors: A Conceptual Framework
In the past, considerable research in gerontology has focused on services provided to seniors. Recently, however, there has a been a growing recognition of the contributions made by seniors to their families, communities and to society. Empirical estimates have been provided by researchers to show how much these contributions are worth in terms of savings in dollar amounts. A critical review of the literature identifies unresolved issues concerning which contributions to count and how to measure and value these contributions. As yet, no clear criteria exist that readily identify the distinction between volunteer activities and unpaid work, what specifically should be counted as an unpaid time contribution, how it should be quantified, and how this unit of contribution should be monetarily valued. The market replacement approach and the opportunity cost approach that are used to assign value to unpaid work often use very different wage rates or levels of income loss. This paper reviews the relevant literature and identifies important issues in evaluating unpaid time contribution of seniors. The authors propose a framework which addresses some of the methodological shortcomings identified in previous research and which provides a guide for future research in this area.seniors; valuing unpaid work
Partially Evoked Epithelial-Mesenchymal Transition (EMT) Is Associated with Increased TGFβ Signaling within Lesional Scleroderma Skin
The origin of myofibroblasts in fibrotic conditions remains unknown and in systemic sclerosis (SSc) it has been proposed that activation of local fibroblasts, trans-differentiation of perivascular or vascular cells, recruitment of fibrocyte progenitors, or epithelial to mesenchymal transition (EMT) could be contributing. Data from our laboratory indicate that the epidermis in scleroderma is activated with the keratinocytes exhibiting a phenotype normally associated with tissue repair, including phosphorylation profiles indicative of TGFβ signaling. Since TGFβ is a known inducer of EMT, we investigated if there is evidence of this process in the SSc epidermis. In order to validate antibodies and primers, EMT was modeled in HaCaT cells cultured in the presence of TGFβ1. Skin sections were stained with phosho-SMAD2/3, as well as with epithelial and mesenchymal markers. Moreover, mRNA levels of transcription factors associated with EMT were studied in epidermal blister sheets. We observed critical changes in the scleroderma epidermis; showing significantly increased nuclear translocation of phosphorylated Smad2/3, consistent with active TGFβ signaling in SSc keratinocytes. While profound EMT could be induced in keratinocytes in vitro with the appearance of SNAI1/2 and FSP-1, and an accompanying loss of E-cadherin, in the scleroderma skin active TGFβ signaling was accompanied by only partial EMT-like changes characterised by induction of SNAI1 alone and with no loss of E-cadherin. Together, our findings support a model of altered differentiation and TGFβ dependent activation of scleroderma epithelial cells leading to a partially evoked EMT like process in the fibrotic skin
Density-Functional Theory of Quantum Freezing: Sensitivity to Liquid-State Structure and Statistics
Density-functional theory is applied to compute the ground-state energies of
quantum hard-sphere solids. The modified weighted-density approximation is used
to map both the Bose and the Fermi solid onto a corresponding uniform Bose
liquid, assuming negligible exchange for the Fermi solid. The required
liquid-state input data are obtained from a paired phonon analysis and the
Feynman approximation, connecting the static structure factor and the linear
response function. The Fermi liquid is treated by the Wu-Feenberg cluster
expansion, which approximately accounts for the effects of antisymmetry.
Liquid-solid transitions for both systems are obtained with no adjustment of
input data. Limited quantitative agreement with simulation indicates a need for
further improvement of the liquid-state input through practical alternatives to
the Feynman approximation.Comment: IOP-TeX, 21 pages + 7 figures, to appear, J. Phys.: Condens. Matte
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