On the determination and ramifications of chaos in many-body systems: A model study of polyethylene

David E. Newman; Christopher Watts; Bobby G. Sumpter; Donald W. Noid

doi:10.1002/mats.1997.040060217

On the determination and ramifications of chaos in many-body systems: A model study of polyethylene

David E. Newman, Christopher Watts, Bobby G. Sumpter, Donald W. Noid

Center for Nanophase Matls Sciences

Research output: Contribution to journal › Article › peer-review

4 Scopus citations

Abstract

Computational methods for elucidating information related to the dynamical behavior of multidimensional systems are presented and applied in the area of macromolecular dynamics. Results indicate that the dimensionality of chaotic dynamics for a model of polyethylene can only be characterized for a very narrow range of extremely low temperature (0-2 K). These results provide evidence that suggests the dynamics of this system are completely chaotic at temperatures as low as 10 K. The preponderance of increasing density of low frequency floppy vibrational modes in large molecular systems provides a facile mechanism for the onset of global chaos. Ramifications of such global chaos to the accurate modeling and simulation of macromolecular dynamics is discussed.

Original language	English
Pages (from-to)	577-590
Number of pages	14
Journal	Macromolecular Theory and Simulations
Volume	6
Issue number	2
DOIs	https://doi.org/10.1002/mats.1997.040060217
State	Published - Mar 1997

Access to Document

10.1002/mats.1997.040060217

Cite this

@article{8d34c7ad3571451cb6b7a1963b4e7756,

title = "On the determination and ramifications of chaos in many-body systems: A model study of polyethylene",

abstract = "Computational methods for elucidating information related to the dynamical behavior of multidimensional systems are presented and applied in the area of macromolecular dynamics. Results indicate that the dimensionality of chaotic dynamics for a model of polyethylene can only be characterized for a very narrow range of extremely low temperature (0-2 K). These results provide evidence that suggests the dynamics of this system are completely chaotic at temperatures as low as 10 K. The preponderance of increasing density of low frequency floppy vibrational modes in large molecular systems provides a facile mechanism for the onset of global chaos. Ramifications of such global chaos to the accurate modeling and simulation of macromolecular dynamics is discussed.",

author = "Newman, {David E.} and Christopher Watts and Sumpter, {Bobby G.} and Noid, {Donald W.}",

year = "1997",

month = mar,

doi = "10.1002/mats.1997.040060217",

language = "English",

volume = "6",

pages = "577--590",

journal = "Macromolecular Theory and Simulations",

issn = "1022-1344",

publisher = "Wiley-VCH Verlag",

number = "2",

}

TY - JOUR

T1 - On the determination and ramifications of chaos in many-body systems

T2 - A model study of polyethylene

AU - Newman, David E.

AU - Watts, Christopher

AU - Sumpter, Bobby G.

AU - Noid, Donald W.

PY - 1997/3

Y1 - 1997/3

N2 - Computational methods for elucidating information related to the dynamical behavior of multidimensional systems are presented and applied in the area of macromolecular dynamics. Results indicate that the dimensionality of chaotic dynamics for a model of polyethylene can only be characterized for a very narrow range of extremely low temperature (0-2 K). These results provide evidence that suggests the dynamics of this system are completely chaotic at temperatures as low as 10 K. The preponderance of increasing density of low frequency floppy vibrational modes in large molecular systems provides a facile mechanism for the onset of global chaos. Ramifications of such global chaos to the accurate modeling and simulation of macromolecular dynamics is discussed.

AB - Computational methods for elucidating information related to the dynamical behavior of multidimensional systems are presented and applied in the area of macromolecular dynamics. Results indicate that the dimensionality of chaotic dynamics for a model of polyethylene can only be characterized for a very narrow range of extremely low temperature (0-2 K). These results provide evidence that suggests the dynamics of this system are completely chaotic at temperatures as low as 10 K. The preponderance of increasing density of low frequency floppy vibrational modes in large molecular systems provides a facile mechanism for the onset of global chaos. Ramifications of such global chaos to the accurate modeling and simulation of macromolecular dynamics is discussed.

UR - http://www.scopus.com/inward/record.url?scp=0031526992&partnerID=8YFLogxK

U2 - 10.1002/mats.1997.040060217

DO - 10.1002/mats.1997.040060217

M3 - Article

AN - SCOPUS:0031526992

SN - 1022-1344

VL - 6

SP - 577

EP - 590

JO - Macromolecular Theory and Simulations

JF - Macromolecular Theory and Simulations

IS - 2

ER -

On the determination and ramifications of chaos in many-body systems: A model study of polyethylene

Abstract

Access to Document

Other files and links

Fingerprint

Cite this