Monte Carlo determination of the elastic constants of the hard-sphere solid.

نویسندگان

  • Runge
  • Chester
چکیده

Monte Carlo simulation is used to study the elastic properties of the classical hard sphere solid. The elastic constants C 11 ,C 12 , and C 44 are computed for the fcc lattice structure at the melting density. Poisson's ratio is computed and is shown to be positive. Thesèexact' results are compared with those of simple models of the hard sphere solid.

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

Fluctuation formalism for elastic constants in hard-spheres-and-tethers systems

Methods which relate the elastic constants of thermodynamic systems to the fluctuations of the pressure or the volume are called ‘‘fluctuation’’ methods. In this paper we derive expressions, within the fluctuation method, for determining elastic constants in systems composed of hard spheres tethered by inextensible bonds. Such systems are frequently used as athermal models of real physical syst...

متن کامل

بررسی گذار فاز مایع - جامد با استفاده از نظریه تابعی چگالی وزنی اصلاح شده مایعات کلاسیک غیر یکنواخت با مولکولهای کروی سخت

 In this article we first introduce the weighted density approximation (WDA) to study the classical inhomogeneous system such as inhomogeneous fluids. Then we introduce the modified weighted density approximation (MWDA) to calculate the structure and thermodynamical properties of the FCC hard sphere crystal. The MWDA is a self consistent method where the free energy is expressed as an unperturb...

متن کامل

محاسبه فشارو کشش سطحی در مرز مشترک جامد- مایع با استفاده از روش تابعی تارازونا

  The weighted density functional theory proposed by Tarazona is applied to study the solid-liquid interface. In the last two decades the weighted density functional became a useful tool to consider the properties of inhomogeneous liquids. In this theory, the role of the size of molecules or the particles of which the matter is composed, was found to be important. In this resarch we study a har...

متن کامل

A New Numerical Procedure for Determination of Effective Elastic Constants in Unidirectional Composite Plates

In this paper a composite plate with similar unidirectional fibers is considered. Assuming orthotropic structure, theory of elasticity is used for investigating the stress concentration. Also, complex variable functions are utilized for solving the plane stress problems. Then the effective characteristics of this plate are studied numerically by using ANSYS software. In this research a volume e...

متن کامل

Elastic constants of hard thin platelets by Monte Carlo simulation and virial expansion.

In this paper we present an investigation into the calculation of the Frank elastic constants of hard platelets via molecular simulation and virial expansion beyond second order. Monte Carlo simulations were carried out and director fluctuations measured as a function of wave vector k, giving the elastic constants through a fit in the low-k limit. Additionally, the virial expansion coefficients...

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. A, General physics

دوره 36 10  شماره 

صفحات  -

تاریخ انتشار 1987