Brownian Motion and Microrheology in Complex Fluids under Periodic Boundary Conditions

DOI 機関リポジトリ (HANDLE) Web Site Web Site 参考文献40件 オープンアクセス

この論文をさがす

説明

<p>We review the theoretical aspects of determining linear rheology using passive microrheology from simulations under periodic boundary conditions (PBCs). It is common to impose periodic boundary conditions when evaluating bulk properties by molecular simulation. The Brownian motion of the probe particles is affected by PBCs, and thus their effects must be considered when microrheological analysis is applied to evaluate the dynamic modulus. First, we outline the theory of microrheology based on the generalized Langevin equation (GLE) in an unbounded domain. Then, we briefly discuss the effect of PBCs on the diffusion coefficient. After that, we explain the effect of PBCs on the mean-square displacement of Brownian particles and their impact on microrheology. The passive microrheology technique under PBCs provides a new approach for rheology evaluation in molecular simulations of complex liquids in addition to the traditional Green-Kubo formula and non-equilibrium molecular dynamics (NEMD).</p>

収録刊行物

  • 成形加工

    成形加工 37 (7), 294-301, 2025-06-20

    一般社団法人 プラスチック成形加工学会

参考文献 (40)*注記

もっと見る

関連プロジェクト

もっと見る

キーワード

詳細情報 詳細情報について

問題の指摘

ページトップへ