Search results for "Statistical"

Activity mediated phase separation: Can we understand phase behavior of the nonequilibrium problem from an equilibrium approach?

2016

We present results for structure and dynamics of mixtures of active and passive particles, from molecular dynamics (MD) simulations and integral equation theory (IET) calculations, for a physically motivated model. The perfectly passive limit of the model corresponds to the phase-separating Asakura-Oosawa model for colloid-polymer mixtures in which, for the present study, the colloids are made self-propelling by introducing activity in accordance with the well known Vicsek model. Such activity facilitates phase separation further, as confirmed by our MD simulations and IET calculations. Depending upon the composition of active and passive particles, the diffusive motion of the active specie…

Erratum: “Computing absolute free energies of disordered structures by molecular simulation” [J. Chem. Phys. 131, 231102 (2009)]

2011

Fluctuations and elastic properties of lipid membranes in the gel Lβ′ state: a coarse-grained Monte Carlo study

2010

We study the stress distribution profiles and the height and thickness fluctuations of lipid membranes in the gel L-beta ' state by Monte Carlo simulations of a generic coarse-grained model for lipid membranes, which reproduces many known properties of dipalmitoylphosphatidyncholine (DPPC) bilayers. The results are related to the corresponding properties of fluid membranes, and to theoretical predictions for crystalline and hexatic membranes. One striking observation is that the spontaneous curvature of the monolayers changes sign from the fluid to the gel phase. In the gel-phase, the long-wavelength height fluctuations are suppressed, and the fluctuation spectrum is highly anisotropic. In …

Linear scaling exchange gradients for Hartree–Fock and hybrid density functional theory

2000

Abstract A new method is introduced which allows to form the exchange part of self-consistent field energy gradients in a way which scales linearly with molecular size for molecules with a non-vanishing HOMO–LUMO gap. This is not only important for Hartree–Fock but as well for the popular hybrid density functional theory methods. The method preserves the optimized integral-driven structure of conventional direct methods. Efficiency and scaling behavior of the new method are illustrated for DNA fragments.

Publisher’s Note: “Transition state ensemble optimization for reactions of arbitrary complexity” [J. Chem. Phys. 143, 134111 (2015)]

2015

Sensitivity of the Cherenkov Telescope Array to spectral signatures of hadronic PeVatrons with application to Galactic Supernova Remnants

2023

The local Cosmic Ray (CR) energy spectrum exhibits a spectral softening at energies around 3~PeV. Sources which are capable of accelerating hadrons to such energies are called hadronic PeVatrons. However, hadronic PeVatrons have not yet been firmly identified within the Galaxy. Several source classes, including Galactic Supernova Remnants (SNRs), have been proposed as PeVatron candidates. The potential to search for hadronic PeVatrons with the Cherenkov Telescope Array (CTA) is assessed. The focus is on the usage of very high energy $\gamma$-ray spectral signatures for the identification of PeVatrons. Assuming that SNRs can accelerate CRs up to knee energies, the number of Galactic SNRs whi…

Associations Between Built Environment Characteristics and Walking in Older Adults in a High-Density City: A Study From a Chinese Megacity

2020

The built environment is an important factor affecting physical activity, especially walkability. Walkability is used to characterize the user friendliness of outdoor physical activity. However, studies on walkability and physical activity are mainly concentrated on low-density Western cities. Study on the walkability of high-density cities in Asia, especially with the elderly, is seriously lacking. And walkability is often used as a composite indicator. This study mainly re-examines the relationship between the common indicators of walkability (population density, street connectivity, land-use mix, and retail density), transport-related walking, and leisure-time walking with older adults i…

Development of “New Silk Road” Northern Branch through Seaport of Riga in Latvia

2014

Abstract The study reveals opportunity to develop the “New Silk Road” Northern branch from North-West China (the People's Republic of China) via seaport of Riga in Latvia to Europe. The methods of the study are the monographic method, the statistical analysis, the expert method and a case study. The study shows that the shortest route for the “New Silk Road” Northern branch is through seaport of Riga (Latvia) which is the shortest way from China to the seaport in the European Union. The existing railway infrastructure can be used from Urumqi (North-Western China) to the seaport of Riga. Transit countries for this route are Kazakhstan and Russia. This route could be beneficial for distributi…

Chiral anomalies in even and odd dimensions

1985

Odd dimensional Yang-Mills theories with an extra ‘topological mass” term, defined by the Chern-Simons secondary characteristic, are discussed. It is shown in detail how the topological mass affects the equal time charge commutation relations and how the modified commutation relations are related to non-abelian chiral anomalies in even dimensions. We also study the SU(3) chiral model (Wess-Zumino model) in four dimensions and we show how a gauge invariant interaction with an external SU(3) vector potential can be defined with the help of the Chern-Simons characteristic in five dimensions.

Dynamics of Two Picophytoplankton Groups in Mediterranean Sea: Analysis of the Deep Chlorophyll Maximum by a Stochastic Advection-Reaction-Diffusion …

2013

A stochastic advection-reaction-diffusion model with terms of multiplicative white Gaussian noise, valid for weakly mixed waters, is studied to obtain the vertical stationary spatial distributions of two groups of picophytoplankton, i.e., picoeukaryotes and Prochlorococcus, which account about for 60% of total chlorophyll on average in Mediterranean Sea. By numerically solving the equations of the model, we analyze the one-dimensional spatio-temporal dynamics of the total picophytoplankton biomass and nutrient concentration along the water column at different depths. In particular, we integrate the equations over a time interval long enough, obtaining the steady spatial distributions for th…