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Shock dynamics in the sub‐nanometer femtosecond domain
Author(s) -
Karo A. M.,
Deboni T. M.,
Hardy J. R.,
Weiss G. A.
Publication year - 1990
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560382428
Subject(s) - detonation , molecular dynamics , chemical physics , shock (circulatory) , nanometre , molecule , combustion , shock wave , femtosecond , domain (mathematical analysis) , dynamics (music) , materials science , chemistry , nanotechnology , physics , mechanics , computational chemistry , medicine , mathematical analysis , laser , mathematics , organic chemistry , acoustics , optics , composite material , explosive material
New experimental techniques combined with computer molecular dynamics simulations of increasing complexity are beginning to permit a detailed examination of the initial steps in the complex chemistry describing the high‐temperature, high‐pressure regime associated with combustion and detonation as well as processes that may be involved in shock‐induced chemistry. We present the results of several simulations that describe the generation of moderately strong shocks and their interaction with molecules embedded in weakly‐bound clusters, with material defects such as microscopic voids, and with molecular species placed in the neighborhood of such defects.