Modified equation of motion approach for metallic ferromagnetic systems with the correlated hopping interaction

2016 ◽  
Vol 253 (6) ◽  
pp. 1202-1209 ◽  
Author(s):  
Grzegorz Górski ◽  
Jerzy Mizia ◽  
Krzysztof Kucab
Keyword(s):  
Equation Of Motion ◽  
Modified Equation

scholarly journals Modified Equation of Motion Approach for Ferromagnetic Systems

2015 ◽  
Vol 127 (2) ◽  
pp. 207-209
Author(s):  
G. Górski ◽  
J. Mizia ◽  
K. Kucab
Keyword(s):  
Equation Of Motion ◽  
Modified Equation

scholarly journals Simple Model for Simulating Characteristics of River Flow Velocity in Large Scale

2015 ◽  
Vol 2015 ◽  
pp. 1-8
Author(s):  
Husin Alatas ◽  
Dyo D. Prayuda ◽  
Achmad Syafiuddin ◽  
May Parlindungan ◽  
Nurjaman O. Suhendra ◽  
...  
Keyword(s):  
Flow Velocity ◽  
Large Scale ◽  
Inelastic Collision ◽  
River Flow ◽  
Equation Of Motion ◽  
Momentum Conservation ◽  
Digital Elevation ◽  
Computer Based ◽  
Elevation Model ◽  
Modified Equation

We propose a simple computer based phenomenological model to simulate the characteristics of river flow velocity in large scale. We use shuttle radar tomography mission based digital elevation model in grid form to define the terrain of catchment area. The model relies on mass-momentum conservation law and modified equation of motion of falling body in inclined plane. We assume inelastic collision occurs at every junction of two river branches to describe the dynamics of merged flow velocity.

Ergodicity and Convergence of Fluctuations in Parrinello-Rahman Molecular Dynamics

1992 ◽  
Vol 291 ◽  
Author(s):  
M. Li ◽  
W. L. Johnson ◽  
W. A. Goddard
Keyword(s):  
Molecular Dynamics ◽  
Angular Momentum ◽  
Total Angular Momentum ◽  
Equations Of Motion ◽  
Cell Mass ◽  
Equation Of Motion ◽  
Translational Symmetry ◽  
Slow Convergence ◽  
Simulation Results ◽  
Modified Equation

ABSTRACTDistortion and rotation of a molecular dynamics cell used in Parrinello-Rahman molecular dynamics are found to lead to slow convergence, or nonconvergence of fluctuations from thermodynamic averages. The variations are shown to be related to nonconservation of the total angular momentum and translational symmetry variance of the dynamics. A modified equation of motion is presented which eliminates these variations. It is shown that the ergodicity is achieved in the MD ensemble generated by the new equations of motion. However, the rate of convergence is strongly affected by the choice of the MD cell mass W. Simulation results show that not all values of Wcan be used to give a desired convergence of fluctuations from thermodynamic averages in finite simulations. The fastest convergence is achieved by using the optimal cell mass.

Particle motion with air resistance

2012 ◽  
Vol 8 (1) ◽  
pp. 1-15
Author(s):  
Gy. Sitkei
Keyword(s):  
Basic Equation ◽  
Initial Conditions ◽  
Equation Of Motion ◽  
Terminal Velocity ◽  
Dimensionless Form ◽  
Wood Industry ◽  
Acceptable Error ◽  
General Validity ◽  
Practical Applications ◽  
Air Resistance

Motion of particles with air resistance (e.g. horizontal and inclined throwing) plays an important role in many technological processes in agriculture, wood industry and several other fields. Although, the basic equation of motion of this problem is well known, however, the solutions for practical applications are not sufficient. In this article working diagrams were developed for quick estimation of the throwing distance and the terminal velocity. Approximate solution procedures are presented in closed form with acceptable error. The working diagrams provide with arbitrary initial conditions in dimensionless form of general validity.

Finite difference code for velocity and surface traction of a Fluid between Two Eccentric Spheres

2015 ◽  
Vol 11 (1) ◽  
pp. 2960-2971
Author(s):  
M.Abdel Wahab
Keyword(s):  
Velocity Field ◽  
Angular Velocity ◽  
Finite Difference ◽  
Numerical Study ◽  
Outer Sphere ◽  
Equation Of Motion ◽  
Annular Region ◽  
Surface Traction ◽  
Angular Velocities ◽  
Axis Passing

The Numerical study of the flow of a fluid in the annular region between two eccentric sphere susing PHP Code isinvestigated. This flow is created by considering the inner sphere to rotate with angular velocity 1  and the outer sphererotate with angular velocity 2  about the axis passing through their centers, the z-axis, using the three dimensionalBispherical coordinates (, ,) .The velocity field of fluid is determined by solving equation of motion using PHP Codeat different cases of angular velocities of inner and outer sphere. Also Finite difference code is used to calculate surfacetractions at outer sphere.

On the Harmonic Oscillations for the Motion of a Dynamical System

2017 ◽  
Vol 13 (2) ◽  
pp. 4657-4670
Author(s):  
W. S. Amer
Keyword(s):  
Dynamical System ◽  
Numerical Solutions ◽  
Equation Of Motion ◽  
Parameter Method ◽  
Kutta Method ◽  
Small Parameter Method ◽  
Harmonic Oscillations ◽  
Pivot Point ◽  
Runge Kutta Method ◽  
High Consistency

This work touches two important cases for the motion of a pendulum called Sub and Ultra-harmonic cases. The small parameter method is used to obtain the approximate analytic periodic solutions of the equation of motion when the pivot point of the pendulum moves in an elliptic path. Moreover, the fourth order Runge-Kutta method is used to investigate the numerical solutions of the considered model. The comparison between both the analytical solution and the numerical ones shows high consistency between them.

A Multi-Layer Approach to the Equation of Motion Coupled-Cluster Method for the Electron Affinity

2020 ◽  
Author(s):  
Soumi Haldar ◽  
Achintya Kumar Dutta
Keyword(s):  
Electron Affinity ◽  
Electron Attachment ◽  
Equation Of Motion ◽  
Cluster Method ◽  
Coupled Cluster ◽  
Coupled Cluster Method ◽  
Large Molecules ◽  
Layer Method ◽  
Speed Up ◽  
Attachment Process

We have presented a multi-layer implementation of the equation of motion coupled-cluster method for the electron affinity, based on local and pair natural orbitals. The method gives consistent accuracy for both localized and delocalized anionic states. It results in many fold speedup in computational timing as compared to the canonical and DLPNO based implementation of the EA-EOM-CCSD method. We have also developed an explicit fragment-based approach which can lead to even higher speed-up with little loss in accuracy. The multi-layer method can be used to treat the environmental effect of both bonded and non-bonded nature on the electron attachment process in large molecules.<br>

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