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Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
Published on: September 17, 2021
Equation of state and universal solid phase of one-dimensional dipolar fluids
Sofiane Meddour1, Lila Bouzar1, René Messina2
1Materials Physics Laboratory, University of Science and Technology Houari Boumediene (USTHB), BP 32 Bab Ezzouar, 16111 Algiers, Algeria.
Abstract:
Macroscopic and structural properties of one-dimensional (1D) dipolar fluids are investigated theoretically. The equation of state is fully explored by means of analytical limiting laws, integral equations and corroborating Monte Carlo simulations. An interesting mapping with the Tonks gas (i.e. hard rods) is established at strong coupling. Crucially, we report a novel solid phase characterized by auniversal algebraic decayof the pair distribution function whose range extends with increasing coupling. This discovery provides a clarified view in 1D systems and open new routes to explore theoretically as well as experimentally.
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