Least square method for the calculation of elastic constants

نویسندگان

  • Jun Li
  • Yi Sun
  • Zhiwei Cui
  • Fanlin Zeng
چکیده

Article history: Received 21 September 2010 Accepted 19 March 2011 Available online 23 March 2011

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

Elastic constants and their variation by pressure in the cubic PbTiO3 compound using IRelast computational package within the density functional theory

p.p1 {margin: 0.0px 0.0px 0.0px 0.0px; text-align: justify; font: 12.0px 'Times New Roman'} span.s1 {font: 12.0px 'B Nazanin'} p.p1 {margin: 0.0px 0.0px 0.0px 0.0px; text-align: justify; font: 12.0px 'Times New Roman'} span.s1 {font: 12.0px 'B Nazanin'} In this paper, we study the structural and electronic properties of the cubic PbTiO3 compound by using the density functional the...

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

Using an Efficient Penalty Method for Solving Linear Least Square Problem with Nonlinear Constraints

In this paper, we use a penalty method for solving the linear least squares problem with nonlinear constraints. In each iteration of penalty methods for solving the problem, the calculation of projected Hessian matrix is required. Given that the objective function is linear least squares, projected Hessian matrix of the penalty function consists of two parts that the exact amount of a part of i...

متن کامل

Calculation of the Mechanical Properties ofCu-Ni Nanocluster

The aim of this research is to calculate the elastic constants and Bulk modulus of Cu-20 wt% Ni random Nanoalloy. The molecular dynamics simulation technique was used to calculate the mechanical properties in NPT ensemble. The interaction between atoms as well as cohesive energy in the Nanoalloy modeled systems was calculated by Morse et al. two body potential. Also the temperature of the syste...

متن کامل

A B INITIO CALCULATION OF THE KC1 PHONON FREQUENCIES

We have calculated the phonon frequencies of KC1 along symmetry directions using an approach which is a combination of the frozen phonon and force constants methods. We also calculated Griineisen parameters for all modes at X and L points in the Brillouin zone. Finally, the slope of acoustic dispersion curves around zone center were used to calculate the three independent elastic coefficien...

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:
  • Computer Physics Communications

دوره 182  شماره 

صفحات  -

تاریخ انتشار 2011