Local molecular field theory for the treatment of electrostatics

We examine in detail the theoretical underpinnings of previous successful applications of local molecular field (LMF) theory to charged systems. LMF theory generally accounts for the averaged effects of long-ranged components of the intermolecular interactions by using an effective or restructured external field. The derivation starts from the exact Yvon-Born-Green hierarchy and shows that the approximation can be very accurate when the interactions averaged over are slowly varying at characteristic nearest-neighbor distances. Application of LMF theory to Coulomb interactions alone allows for great simplifications of the governing equations. LMF theory then reduces to a single equation for a restructured electrostatic potential that satisfies Poisson's equation defined with a smoothed charge density. Because of this charge smoothing by a Gaussian of width sigma, this equation may be solved more simply than the detailed simulation geometry might suggest. Proper choice of the smoothing length sigma plays a major role in ensuring the accuracy of this approximation. We examine the results of a basic confinement of water between corrugated wall and justify the simple LMF equation used in a previous publication. We further generalize these results to confinements that include fixed charges in order to demonstrate the broader impact of charge smoothing by sigma. The slowly-varying part of the restructured electrostatic potential will be more symmetric than the local details of confinements.Comment: To be published in J Phys-Cond Matt; small misprint corrected in Eq. (12) in V

Mixed tenure orthodoxy: practitioner reflections on policy effects

This article examines mixed tenure as a policy orthodoxy. It first sets out how mixed tenure may be considered to constitute an orthodoxy within planning, being generally accepted as a theory and practice even in the absence of supporting evidence. Five elements of this orthodoxy are identified, relating to (1) housing and the environment, (2) social change, (3) economic impacts, (4) sustainable communities, (5) and sociospatial integration. Interviews with practitioners involved with three social housing estates that have experienced mixed-tenure policy interventions are reported to consider why the implementation and effects of mixed tenure might not correspond with the orthodox understanding. It is argued that policy ambiguity and weaknesses in policy theory and specification, alongside practical constraints, lie behind incomplete and counterproductive policy implementation, but a belief in pursuing the policy orthodoxy persists nevertheless

Robust Growth Determinants

This paper investigates the robustness of determinants of economic growth in the presence of model uncertainty, parameter heterogeneity and outliers. The robust model averaging approach introduced in the paper uses a flexible and parsimonious mixture modeling that allows for fat-tailed errors compared to the normal benchmark case. Applying robust model averaging to growth determinants, the paper finds that eight of eighteen variables found to be significantly related to economic growth by Sala-i-Martin et al. (2004) are sensitive to deviations from benchmark model averaging. For example, the GDP shares of mining or government consumption, are no longer robust or economically significant once deviations from the normal benchmark assumptions are allowed. The paper identifies outlying observations - most notably Botswana - in explaining economic growth in a cross-section of countries

Density fluctuations and the structure of a nonuniform hard sphere fluid

We derive an exact equation for density changes induced by a general external field that corrects the hydrostatic approximation where the local value of the field is adsorbed into a modified chemical potential. Using linear response theory to relate density changes self-consistently in different regions of space, we arrive at an integral equation for a hard sphere fluid that is exact in the limit of a slowly varying field or at low density and reduces to the accurate Percus-Yevick equation for a hard core field. This and related equations give accurate results for a wide variety of fields

Attraction Between Like-Charged Walls: Short-Ranged Simulations Using Local Molecular Field Theory

Effective attraction between like-charged walls mediated by counterions is studied using local molecular field (LMF) theory. Monte Carlo simulations of the "mimic system'' given by LMF theory, with short-ranged "Coulomb core" interactions in an effective single particle potential incorporating a mean-field average of the long-ranged Coulomb interactions, provide a direct test of the theory, and are in excellent agreement with more complex simulations of the full Coulomb system by Moreira and Netz [Eur. Phys. J. E 8, 33 (2002)]. A simple, generally-applicable criterion to determine the consistency parameter sigma_{min} needed for accurate use of the LMF theory is presented

Ringing the eigenmodes from compact manifolds

We present a method for finding the eigenmodes of the Laplace operator acting on any compact manifold. The procedure can be used to simulate cosmic microwave background fluctuations in multi-connected cosmological models. Other applications include studies of chaotic mixing and quantum chaos.Comment: 11 pages, 8 figures, IOP format. To be published in the proceedings of the Cleveland Cosmology and Topology Workshop 17-19 Oct 1997. Submitted to Class. Quant. Gra

Proof of the thermodynamical stability of the E' center in SiO2

The E' center is a paradigmatic radiation-induced defect in SiO2 whose peculiar EPR and hyperfine activity has been known since over 40 years. This center has been traditionally identified with a distorted, positively-charged oxygen vacancy V_O+. However, no direct proof of the stability of this defect has ever been provided, so that its identification is still strongly incomplete. Here we prove directly that distorted V_O+ is metastable and that it satisfies the key requirements for its identification as E', such as thermal and optical response, and activation-deactivation mechanisms.Comment: RevTeX 4 pages, 2 figure

Calcium levels correlate with cell cycle phase and affect the level of the cyclin B transcript in Dictyostelium discoideum

In pre-aggregation amoebae of Dictyostelium discoideum, phenotypic differences with respect to cellular Ca2+ and cell cycle phases are known to bias post-aggregative cell-type choice. Using chlortetracycline fluorescence as an indicator, we found that cellular Ca2+ is highest at the S phase of the cell cycle. Upon increasing the level of Ca2+ with the help of the calcium ionophore A23187, there is a significant decrease in the cyclin B (clb1) mRNA level; the cdc2 mRNA level shows a marginal decrease. These results suggest that the effect of Ca2+ and the cell cycle on cell fate could be exerted at the level of transcription, or message stability, of specific genes