We consider two random walkers starting at the same time t=0 from different points in space separated by a given distance R. We compute the average volume of the space visited by both walkers up to time t as a function of R and t and dimensionality of space d. For d<4, this volume, after proper renormalization, is shown to be expressed through a scaling function of a single variable R/√t. We provide general integral formulas for scaling functions for arbitrary dimensionality d<4. In contrast, we show that no scaling function exists for higher dimensionalities d≥4.
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http://dx.doi.org/10.1103/PhysRevE.89.042137 | DOI Listing |
J Chem Phys
January 2025
Department of Chemistry, Graduate School of Science, Kyoto University, Kyoto 606-8502, Japan.
Two-dimensional (2D) vibrational spectroscopy is a powerful means of investigating the structure and dynamics of complex molecules in condensed phases. However, even in theory, analysis of 2D spectra resulting from complex inter- and intra-molecular motions using only molecular dynamics methods is not easy. This is because molecular motions comprise complex multiple modes and peaks broaden and overlap owing to various relaxation processes and inhomogeneous broadening.
View Article and Find Full Text PDFJ Chem Phys
October 2024
Department of Chemical Engineering, University of Washington, Seattle, Washington 98195, USA.
We develop a computational method for modeling electrostatic interactions of arbitrarily shaped, polarizable objects on colloidal length scales, including colloids/nanoparticles, polymers, and surfactants, dispersed in explicit ion electrolytes and nonionic solvents. Our method computes the nonuniform polarization charge distribution induced in a colloidal particle by both externally applied electric fields and local electric fields arising from other charged objects in the dispersion. This leads to expressions for electrostatic energies, forces, and torques that enable efficient molecular dynamics and Brownian dynamics simulations of colloidal dispersions in electrolytes, which can be harnessed to accurately predict structural and transport properties.
View Article and Find Full Text PDFSoft Matter
September 2024
Department of Materials Physics, Nagoya University, Nagoya 4649603, Japan.
Despite many attempts, the relationship between the fracture and structure of polymer networks is yet to be clarified. For this problem, a recent study on phantom chain simulations [Y. Masubuchi , , 2023, , 9359-9367.
View Article and Find Full Text PDFLangmuir
August 2024
School of Physics and Information Engineering, Shanxi Normal University, Taiyuan 030031, People's Republic of China.
We investigated the surface orthogonal patterning and bidirectional self-assembly of binary hairy nanoparticles (NPs) constructed by uniformly tethering a single NP with multiple V-shaped AB diblock copolymers using Brownian dynamics simulations in a poor solvent. At low concentration, the chain collapse and microphase separation of binary polymer brushes can lead to the patterning of the NP surface into A- and B-type orthogonal patches with various numbers of domains (valency), = 1-6, that adopt spherical, linear, triangular, tetrahedral, square pyramidal, and pentagonal pyramidal configurations. There is a linear relationship between the valency and the average ratio of NP diameter to the polymers' unperturbed root-mean-square end-to-end distance for the corresponding valency.
View Article and Find Full Text PDFJ Mammal
June 2024
Wildlife Ecology & Health Group (WE&H), 08193 Bellaterra, Barcelona, Spain.
Home range and home range overlap can be used to describe use of space and movement of wildlife. During the last years, advancements in technology have greatly improved our understanding of animal movement, especially among large herbivores. Wild ungulate abundance and distribution have increased in temperate areas.
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