Pseudoperiodic Spherical Boundary Conditions: Efficient And Isotropic 3D Particle Simulations Without Lattice Artifacts
Soft Condensed Matter
2025-07-11 v1 Disordered Systems and Neural Networks
Mesoscale and Nanoscale Physics
Other Condensed Matter
Statistical Mechanics
Abstract
Periodic Boundary Conditions (PBC) introduce well-known lattice artifacts. We present a novel Pseudoperiodic Spherical Boundary Condition (SBC) that is perfectly isotropic. Through detailed comparative simulations, we demonstrate that SBC eliminates the structural and dynamic anisotropy inherent to PBC. For the crowded systems where these artifacts are most prominent, our method is also computationally more efficient than standard Minimum Image Convention implementations. This establishes SBC as a powerful, high-fidelity alternative for simulating isotropic matter.
Cite
@article{arxiv.2507.07888,
title = {Pseudoperiodic Spherical Boundary Conditions: Efficient And Isotropic 3D Particle Simulations Without Lattice Artifacts},
author = {Manuel Dedola and Ludovico Cademartiri},
journal= {arXiv preprint arXiv:2507.07888},
year = {2025}
}