Phase diagram of the Gaussian-core model.

نویسندگان

  • Santi Prestipino
  • Franz Saija
  • Paolo V Giaquinta
چکیده

We trace with high numerical accuracy the phase diagram of the Gaussian-core model, a classical system of point particles interacting via a Gaussian-shaped, purely repulsive potential. This model, which provides a reliable qualitative description of the thermal behavior of interpenetrable globular polymers, is known to exhibit a polymorphic fcc-bcc transition at low densities and reentrant melting at high densities. Extensive Monte Carlo simulations, carried out in conjunction with accurate calculations of the solid free energies, lead to a thermodynamic scenario that is partially modified with respect to previous knowledge. In particular, we find that: (i) the fluid-bcc-fcc triple-point temperature is about one third of the maximum freezing temperature; (ii) upon isothermal compression, the model exhibits a fluid-bcc-fcc-bcc-fluid sequence of phases in a narrow range of temperatures just above the triple point. We discuss these results in relation to the behavior of star-polymer solutions and of other softly repulsive systems.

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Ternary Phase Diagram Modeling of Chiral Medetomidine Salts Using NRTL-SAC Model

Experimental determination of solubility and ternary phase diagram of chiral compound are of tedious and time consuming tasks, and in many cases, there is not enough experimental data for different enantiomeric compositions to access the experimental ternary phase diagram. Using thermodynamic models with predictive capability, having less dependency on experimental data, affords a great advanta...

متن کامل

Effects of the Residual Stress and Bias Voltage on the Phase Diagram and Frequency Response of a Capacitive Micro-Structure

In this paper, static and dynamic behavior of a varactor of a micro-phase shifter under DC, step DC and AC voltages and effects of the residual stress on the phase diagram have been studied. By presenting a mathematical modeling, Galerkin-based step by step linearization method (SSLM) and Galerkin-based reduced order model have been used to solve the governing static and dynamic equations, resp...

متن کامل

Phase diagram of softly repulsive systems: the Gaussian and inverse-power-law potentials.

We redraw, using state-of-the-art methods for free-energy calculations, the phase diagrams of two reference models for the liquid state: the Gaussian and inverse-power-law repulsive potentials. Notwithstanding the different behaviors of the two potentials for vanishing interparticle distances, their thermodynamic properties are similar in a range of densities and temperatures, being ruled by th...

متن کامل

نظم‌های مغناطیسی مدل هایزنبرگ j1-j2 پادفرومغناطیس شبکه‌ی لانه زنبوری در حضور برهم‌کنش ژیالوشینسکی-موریا

Motivated by recent experiments that detects Dzyaloshinskii-Moriya (DM) interaction in , we study the effects of DM interaction on magnetic orders of J1-J2 antiferromagnetic Heisenberg model. First, we find the classical phase diagram of the model using Luttinger-Tisza approximation. In this approximation, the classical phase diagram has two phases. For , the model has canted Neel and DM intera...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

عنوان ژورنال:
  • Physical review. E, Statistical, nonlinear, and soft matter physics

دوره 71 5 Pt 1  شماره 

صفحات  -

تاریخ انتشار 2005