Water has many intriguing and anomalous physical properties that have puzzled and titillated the scientific community for centuries, perhaps none more so than the proposition that water may retain some (permanent) "memory" of conditions (e.g., dilution) or electric fields to which it has been subject. Here, we have performed non-equilibrium molecular dynamics simulations of liquid water in external electric-field nanosecond pulses, at 260-310 K, and gauged significant non-thermal field effects in terms of dipolar response. Response of both system- and individual-dipoles has been investigated, and autocorrelation functions of both show more significant effects in stronger fields, with more sluggish relaxation. Crucially, we show that once the field is removed, the dipoles relax, exhibiting no memory or permanent dipolar alignment. We also quantify the time scales for system dynamical-dipolar properties to revert to zero-field equilibrium behaviour.

Communication. Influence of nanosecond-pulsed electric fields on water and its subsequent relaxation. Dipolar effects and debunking memory / Avena, Massimiliano; Marracino, Paolo; Liberti, Micaela; Apollonio, Francesca; English, Niall J.. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - ELETTRONICO. - 142:14(2015), pp. 1-5. [10.1063/1.4917024]

Communication. Influence of nanosecond-pulsed electric fields on water and its subsequent relaxation. Dipolar effects and debunking memory

MARRACINO, PAOLO;LIBERTI, Micaela;APOLLONIO, Francesca;
2015

Abstract

Water has many intriguing and anomalous physical properties that have puzzled and titillated the scientific community for centuries, perhaps none more so than the proposition that water may retain some (permanent) "memory" of conditions (e.g., dilution) or electric fields to which it has been subject. Here, we have performed non-equilibrium molecular dynamics simulations of liquid water in external electric-field nanosecond pulses, at 260-310 K, and gauged significant non-thermal field effects in terms of dipolar response. Response of both system- and individual-dipoles has been investigated, and autocorrelation functions of both show more significant effects in stronger fields, with more sluggish relaxation. Crucially, we show that once the field is removed, the dipoles relax, exhibiting no memory or permanent dipolar alignment. We also quantify the time scales for system dynamical-dipolar properties to revert to zero-field equilibrium behaviour.
2015
.
01 Pubblicazione su rivista::01a Articolo in rivista
Communication. Influence of nanosecond-pulsed electric fields on water and its subsequent relaxation. Dipolar effects and debunking memory / Avena, Massimiliano; Marracino, Paolo; Liberti, Micaela; Apollonio, Francesca; English, Niall J.. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - ELETTRONICO. - 142:14(2015), pp. 1-5. [10.1063/1.4917024]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/783039
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