A molecular dynamics simulation of the abrupt changes in the thermodynamic properties of water after formation of nano-bubbles / nano-cavities induced by passage of charged particles

Fuente: arXiv
Saved in:
Bibliographic Details
Main Authors: Abolfath, Ramin, Afshordi, Niayesh, Rahvar, Sohrab, van Duin, Adri, Radler, Martin, Taleei, Reza, Parodi, Katia, Lascaud, Julie, Mohan, Radhe
Format: Preprint
Published: 2024
Subjects:
Online Access:
Tags: Add Tag
No Tags, Be the first to tag this record!
_version_ 1866910803856195584
author Abolfath, Ramin
Afshordi, Niayesh
Rahvar, Sohrab
van Duin, Adri
Radler, Martin
Taleei, Reza
Parodi, Katia
Lascaud, Julie
Mohan, Radhe
author_facet Abolfath, Ramin
Afshordi, Niayesh
Rahvar, Sohrab
van Duin, Adri
Radler, Martin
Taleei, Reza
Parodi, Katia
Lascaud, Julie
Mohan, Radhe
contents We present a multi-scale formalism that accounts for the formation of nano-scale bubbles/cavities owing to a burst of water molecules after the passage of high energy charged particles that leads to the formation of hot non-ionizing excitations or thermal spikes (TS). We demonstrate the coexistence of a rapidly growing condensed state of water and a hot spot that forms a stable state of diluted water at high temperatures and pressures, possibly at a supercritical phase. Depending on the temperature of TS, the thin shell of a highly dense state of water grows by three to five times the speed of sound in water, forming a thin layer of shock wave (SW) buffer, wrapping around the nano-scale cylindrical symmetric cavity. The stability of the cavity, as a result of the incompressibility of water at ambient conditions and the surface tension, allows the transition of supersonic SW to a subsonic contact discontinuity and dissipation to thermo-acoustic sound waves. We further study the mergers of nanobubbles that lead to fountain-like or jet-flow structures at the collision interface. We introduce a time delay in the nucleation of nano-bubbles, a novel mechanism, responsible for the growth and stability of much larger or even micro-bubbles, possibly relevant to FLASH ultra-high dose rate (UHDR). The current study is potentially significant at FLASH-UHDRs. Our analysis predicts the black-body radiation from the transient supercritical state of water localized in nano-cavities wrapping around the track of charged particles can be manifested in the (indirect) water luminescence spectrum.
format Preprint
id arxiv_https___arxiv_org_abs_2403_05880
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle A molecular dynamics simulation of the abrupt changes in the thermodynamic properties of water after formation of nano-bubbles / nano-cavities induced by passage of charged particles
Abolfath, Ramin
Afshordi, Niayesh
Rahvar, Sohrab
van Duin, Adri
Radler, Martin
Taleei, Reza
Parodi, Katia
Lascaud, Julie
Mohan, Radhe
Medical Physics
Biological Physics
Chemical Physics
Computational Physics
Fluid Dynamics
We present a multi-scale formalism that accounts for the formation of nano-scale bubbles/cavities owing to a burst of water molecules after the passage of high energy charged particles that leads to the formation of hot non-ionizing excitations or thermal spikes (TS). We demonstrate the coexistence of a rapidly growing condensed state of water and a hot spot that forms a stable state of diluted water at high temperatures and pressures, possibly at a supercritical phase. Depending on the temperature of TS, the thin shell of a highly dense state of water grows by three to five times the speed of sound in water, forming a thin layer of shock wave (SW) buffer, wrapping around the nano-scale cylindrical symmetric cavity. The stability of the cavity, as a result of the incompressibility of water at ambient conditions and the surface tension, allows the transition of supersonic SW to a subsonic contact discontinuity and dissipation to thermo-acoustic sound waves. We further study the mergers of nanobubbles that lead to fountain-like or jet-flow structures at the collision interface. We introduce a time delay in the nucleation of nano-bubbles, a novel mechanism, responsible for the growth and stability of much larger or even micro-bubbles, possibly relevant to FLASH ultra-high dose rate (UHDR). The current study is potentially significant at FLASH-UHDRs. Our analysis predicts the black-body radiation from the transient supercritical state of water localized in nano-cavities wrapping around the track of charged particles can be manifested in the (indirect) water luminescence spectrum.
title A molecular dynamics simulation of the abrupt changes in the thermodynamic properties of water after formation of nano-bubbles / nano-cavities induced by passage of charged particles
topic Medical Physics
Biological Physics
Chemical Physics
Computational Physics
Fluid Dynamics
url https://arxiv.org/abs/2403.05880