ISSN:
0020-7608
Schlagwort(e):
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Quelle:
Wiley InterScience Backfile Collection 1832-2000
Thema:
Chemie und Pharmazie
Notizen:
The propagation of nonlinear waves induced by a shock impulse in a linear atomic chain of finite but large length is investigated numerically with a model interatomic potential. The shock impulse is initiated by giving the first atom in the chain an initial velocity vi toward its neighbor. We find that there exists a velocity vc such that for vi 〉 vc a soliton is produced by this impulse with a constant energy and supersonic velocity vs. Studies of the motion of the atom during the passage of this soliton reveal a behavior similar to that expected from the collision of hard spheres. However, for vi 〈 vc the induced pulse propagates below the speed of sound and gradually disperses through the emission of phonons. In the supersonic regime, vi 〉 vc, we find that there exists a velocity vm such that if vi 〉 vm, then vs 〈 vi, but if vi 〈 vm, then vs 〉 vi. Finally, in agreement with earlier studies using other model potentials, we find that if vi is large enough, a soliton can be generated with sufficient energy to spall an atom from the end of the chain.
Zusätzliches Material:
3 Ill.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1002/qua.560382453
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