Temperature Dependence of Non-uniformity in Energy of Systems with Holonomic Constraints

被引:1
作者
Konishi, Tetsuro [1 ]
Yanagita, Tatsuo [2 ]
机构
[1] Chubu Univ, Coll Engn, Matsumoto Cho, Kasugai, Aichi 4878501, Japan
[2] Osaka Electrocommun Univ, Dept Engn Sci, Neyagawa, Osaka 5728530, Japan
基金
日本学术振兴会;
关键词
Constrained system; Generalized principle of equipartition of energy; TIME-SCALES; RELAXATION; MOLECULES; PROTEINS; DYNAMICS; CHAIN;
D O I
10.1007/s10955-022-03029-8
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
For classical systems made of three particles connected with rigid links in thermal equilibrium, the average and variance of the kinetic energies of each particle are exactly obtained. The averages and variances are not uniform over the system but depends on the positions of particles. The excess of average kinetic energies near the chain ends, previously observed by numerical simulation, is analytically proved. The non-uniformity of the average kinetic energy results from the generalized principle of equipartition of energy. For a model with bending potential, the non-uniformity also depends on temperature, and the non-uniformity changes from outer-energetic to inner-energetic by decreasing the temperature.
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页数:34
相关论文
共 35 条
[1]  
[Anonymous], NIST Digital Library of Mathematical Functions
[2]   REALIZATION OF HOLONOMIC CONSTRAINTS AND FREEZING OF HIGH-FREQUENCY DEGREES OF FREEDOM IN THE LIGHT OF CLASSICAL PERTURBATION-THEORY .2. [J].
BENETTIN, G ;
GALGANI, L ;
GIORGILLI, A .
COMMUNICATIONS IN MATHEMATICAL PHYSICS, 1989, 121 (04) :557-601
[3]  
BENETTIN G, 1994, PROG THEOR PHYS SUPP, P207, DOI 10.1143/PTPS.116.207
[4]   The Fermi-Pasta-Ulam 'numerical experiment': history and pedagogical perspectives [J].
Dauxois, T ;
Peyrard, M ;
Ruffo, S .
EUROPEAN JOURNAL OF PHYSICS, 2005, 26 (05) :S3-S11
[5]  
Doi M., 1988, THEORY POLYM DYNAMIC
[6]  
Doi M., 1996, Introduction to Polymer Physics
[7]  
Fermi E., 1965, Collected papers of enrico fermi, V2
[8]   CLASSICAL STATISTICAL-MECHANICS OF CONSTRAINTS - THEOREM AND APPLICATION TO POLYMERS [J].
FIXMAN, M .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1974, 71 (08) :3050-3053
[9]   DYNAMICS OF STIFF CHAINS .2. FREELY JOINTED CHAIN [J].
FIXMAN, M ;
KOVAC, J .
JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (12) :4950-4954
[10]   Introducing Protein Intrinsic Disorder [J].
Habchi, Johnny ;
Tompa, Peter ;
Longhi, Sonia ;
Uversky, Vladimir N. .
CHEMICAL REVIEWS, 2014, 114 (13) :6561-6588