Liapunov exponents and the reversibility of molecular dynamics algorithms期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

Liapunov exponents and the reversibility of molecular dynamics algorithms

Affiliation:	1. Department of Cardiovascular Medicine, Mayo Clinic, Rochester, MN, United States of America;2. Division of Pulmonary and Critical Care Medicine, Department of Internal Medicine, Mayo Clinic, Rochester, MN, United States of America;3. Department of Internal Medicine, William Beaumont Hospital, Royal Oak, MI, United States of America;4. Department of Anesthesiology and Perioperative Medicine, Mayo Clinic, Rochester, MN, United States of America;5. Department of Neurology, Mayo Clinic, Rochester, MN, United States of America;6. Division of Nephrology and Hypertension, Department of Internal Medicine, Mayo Clinic, Rochester, MN, United States of America

Abstract:	We study the phenomenon of lack of reversibility in molecular dynamics algorithms for the case of Wilson's lattice QCD. We demonstrate that the classical equations of motion that are employed in these algorithms are chaotic in nature. The leading Liapunov exponent is determined in a range of coupling parameters. We consider the consequences of the breakdown of reversibility due to round-off errors.

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