Reduced-variance orientational distribution functions from torque sampling

التفاصيل البيبلوغرافية
العنوان: Reduced-variance orientational distribution functions from torque sampling
المؤلفون: Johannes Renner, Matthias Schmidt, Daniel de las Heras
سنة النشر: 2022
مصطلحات موضوعية: Statistical Mechanics (cond-mat.stat-mech), Physics - Data Analysis, Statistics and Probability, Soft Condensed Matter (cond-mat.soft), FOS: Physical sciences, General Materials Science, Computational Physics (physics.comp-ph), Condensed Matter - Soft Condensed Matter, Condensed Matter Physics, Physics - Computational Physics, Data Analysis, Statistics and Probability (physics.data-an), Condensed Matter - Statistical Mechanics
الوصف: We introduce a method to sample the orientational distribution function in computer simulations. The method is based on the exact torque balance equation for classical many-body systems of interacting anisotropic particles in equilibrium. Instead of the traditional counting of events, we reconstruct the orientational distribution function via an orientational integral of the torque acting on the particles. We test the torque sampling method in two- and three-dimensions, using both Langevin dynamics and overdamped Brownian dynamics, and with two interparticle interaction potentials. In all cases the torque sampling method produces profiles of the orientational distribution function with better accuracy than those obtained with the traditional counting method. The accuracy of the torque sampling method is independent of the bin size, and hence it is possible to resolve the orientational distribution function with arbitrarily small angular resolutions.
اللغة: English
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a16ad8217a6849ce527ddb40119ee290
http://arxiv.org/abs/2212.11576
حقوق: OPEN
رقم الأكسشن: edsair.doi.dedup.....a16ad8217a6849ce527ddb40119ee290
قاعدة البيانات: OpenAIRE