NEW RIGID BODY EQUATIONS OF MOTION FOR MOLECULAR DYNAMICS

被引：1

作者：

Perram, John W. ^{[1
]}

Petersen, Henrik G. ^{[1
]}

机构：

[1] Odense Univ, Dept Math & Comp Sci, DK-5230 Odense M, Denmark

来源：

MOLECULAR SIMULATION | 1988年 / 1卷 / 04期

关键词：

Rigid body; rotation; lagrangian; hamiltonian; molecular dynamics;

D O I：

10.1080/08927028808080946

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We derive new constrained equations of motion for the principal axis vectors of a rotating rigid body. The equations of motion in both Lagrangian and Hamiltonian form arc derived and, for a simple example. are shown to be equivalent to equations obtained using generalized coordinates. Methods for correcting numerical instabilities are given and the method is ilustrated for two small scale simulations of a model for propane.

引用

页码：239 / 247

页数：9

共 50 条

[1] ON THE EQUATIONS OF RIGID BODY MOTION
MACMILLAN, EH
INTERNATIONAL JOURNAL OF ENGINEERING SCIENCE, 1993, 31 (01) : 171 - 181
[2] A new algorithm for rigid body molecular dynamics
Neto, Natale
Bellucci, Luca
CHEMICAL PHYSICS, 2006, 328 (1-3) : 259 - 268
[3] A NEW FORM OF EQUATIONS FOR RIGID BODY ROTATIONAL DYNAMICS
Tikhonov, Alexey A.
Dolicanin, Cemal
Partalin, Todor A.
Arandjelovic, Ivan
TEHNICKI VJESNIK-TECHNICAL GAZETTE, 2014, 21 (06): : 1221 - 1227
[4] EQUATIONS OF MOTION OF A ROTATING RIGID BODY
BROUCKE, RA
JOURNAL OF GUIDANCE CONTROL AND DYNAMICS, 1990, 13 (06) : 1150 - 1152
[5] NOTE ON EQUATIONS OF MOTION OF A RIGID BODY
ERICKSEN, WS
SIAM REVIEW, 1966, 8 (02) : 206 - &
[6] A new mathematical construction of the general nonlinear ODEs of motion in rigid body dynamics (Euler's equations)
Panayotounakos, Dimitrios E.
Rizou, Ioanna
Theotokoglou, Efstathios E.
APPLIED MATHEMATICS AND COMPUTATION, 2011, 217 (21) : 8534 - 8542
[7] On the rotational equations of motion in rigid body dynamics when using Euler parameters
Karim Sherif
Karin Nachbagauer
Wolfgang Steiner
Nonlinear Dynamics, 2015, 81 : 343 - 352
[8] On the rotational equations of motion in rigid body dynamics when using Euler parameters
Sherif, Karim
Nachbagauer, Karin
Steiner, Wolfgang
NONLINEAR DYNAMICS, 2015, 81 (1-2) : 343 - 352
[9] An Alternative Derivation of the Quaternion Equations of Motion for Rigid-Body Rotational Dynamics
Udwadia, Firdaus E.
Schutte, Aaron D.
JOURNAL OF APPLIED MECHANICS-TRANSACTIONS OF THE ASME, 2010, 77 (04): : 1 - 4
[10] A Kinematic Interpretation of Rigid Body Motion in a New Solution of Grioli Equations
Gorr, G. V.
MECHANICS OF SOLIDS, 2023, 58 (08) : 2738 - 2749

← 1 2 3 4 5 →