Family of tunable spherically symmetric potentials that span the range from hard spheres to waterlike behavior.

نویسندگان

  • Zhenyu Yan
  • Sergey V Buldyrev
  • Nicolas Giovambattista
  • Pablo G Debenedetti
  • H Eugene Stanley
چکیده

We investigate the equation of state, diffusion coefficient, and structural order of a family of spherically symmetric potentials consisting of a hard core and a linear repulsive ramp. This generic potential has two characteristic length scales: the hard and soft core diameters. The family of potentials is generated by varying their ratio, lambda. We find negative thermal expansion (thermodynamic anomaly) and an increase of the diffusion coefficient upon isothermal compression (dynamic anomaly) for 0< or =lambda<6/7. As in water, the regions where these anomalies occur are nested domes in the (T, p) or (T, P) planes , with the thermodynamic anomaly dome contained entirely within the dynamic anomaly dome. We calculate translational and orientational order parameters (t and Q6), and project equilibrium state points onto the (t, Q6) plane, or order map. The order map evolves from waterlike behavior to hard-sphere-like behavior upon varying lambda between 4/7 and 6/7. Thus, we traverse the range of liquid behavior encompassed by hard spheres (lanbda=1) and waterlike (lambda approximately 4/7) with a family of tunable spherically symmetric potentials by simply varying the ratio of hard to soft-core diameters. Although dynamic and thermodynamic anomalies occur almost across the entire range 0< or=lambda< or=1, waterlike structural anomalies (i.e., decrease in both t and Q6 upon compression and strictly correlated T and Q6 in the anomalous region) occur only around lambda=4/7. Waterlike anomalies in structure, dynamics and thermodynamics arise solely due to the existence of two length scales, with their ratio lambda being the single control parameter, orientation-dependent interactions being absent by design.

برای دانلود 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

Structural order for one-scale and two-scale potentials.

We perform molecular dynamics simulations to investigate the relationship between structural order and waterlike dynamic and thermodynamic anomalies in spherically symmetric potentials having either one or two characteristic length scales. Structural order is characterized by translational and orientational order parameters. We find that (i) dynamic and thermodynamic anomalies exist for both on...

متن کامل

Investigating the Effect of Ultrasonification Time on Transition from Monolithic Porous Network to Size-Tunable Monodispersed Silica Nanospheres via Stöber Method

Abstract Uniform colloidal monodispersed silica nanoparticles were synthesized via stöber method using ammonia as a basic catalyst. Field Emission Scanning Electron Microscope (FESEM) was confirmed the homogeneous nanospheres. The decrease of TEOS concentration (0.067 to 0.012 mol L-1) and an increase of H2O concentration (3 to 14 mol L-1) at 14 mol L-1 NH3 fixed accelerated the rate of h...

متن کامل

Spherically Symmetric Solutions in a New Braneworld Massive Gravity Theory

In this paper, a combination of the braneworld scenario and covariant de Rham-Gabadadze-Tolley (dRGT) massive Gravity theory is proposed. In this setup, the five-dimensional bulk graviton is considered to be massive. The five dimensional nonlinear ghost-free massive gravity theory affects the 3-brane dynamics and the gravitational potential on the brane. Following the solutions with spherical s...

متن کامل

Second Virial Coefficients for Nonspherical Molecules and Their Experimental Measurements

The virial coefficients can be obtained from statistical mechanics in connection with the intermolecular potentials. The intermolecular potential of polyatomic molecules is usually assumed to consist of a spherically symmetric component plus a contribution due to asphericaity of the molecular charge distribution. In this study, the second virial coefficients have been calculated for N2...

متن کامل

Cluster formation, waterlike anomalies, and re-entrant melting for a family of bounded repulsive interaction potentials.

We introduce a family of bounded repulsive potentials, which we call the cut ramp potential, obtained by cutting a linear ramp potential at different heights. We find that for the uncut ramp potential the system shows a region of anomalous re-entrant melting (a negative slope of the melting line in the temperature-pressure phase diagram), with waterlike anomalies in the same pressure range. At ...

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

برای دانلود 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

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

دوره 73 5 Pt 1  شماره 

صفحات  -

تاریخ انتشار 2006