Molecular Dynamics Study of Interactions between the Water/ice Interface and a Nanoparticle in the Vicinity of a Solid Surface

Uchida, Shota; Fujiwara, Kunio; Shibahara, Masahiko

Nanoscale and Microscale Thermophysical Engineering, 2020, 24(2), 53-65

Number of Access:490（2025-08-27 17:07 Counts）

Identifier to cite or link to this item: https://hdl.handle.net/11094/93594

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Title
Molecular Dynamics Study of Interactions between the Water/ice Interface and a Nanoparticle in the Vicinity of a Solid Surface
Creator
CreatorName
Uchida, Shota
NRID
1000060800852 1000060800852
ORCID
0000-0002-4098-2606 0000-0002-4098-2606
researchmap permalink
k_fujiwara k_fujiwara
Scopus Author ID
55580958700 55580958700
CreatorName
Fujiwara, Kunio
NRID
1000040294045 1000040294045
researchmap permalink
read0051684 read0051684
Scopus Author ID
7005167142 7005167142
ORCID
0000-0002-9846-3569 0000-0002-9846-3569
CreatorName
Shibahara, Masahiko
Subject
ice/water interface
nanoparticle
Non-equilibrium molecular dynamics
solidification
Description
This is an Accepted Manuscript of an article published by Taylor & Francis in Nanoscale and Microscale Thermophysical Engineering on 19 May 2020, available at https://doi.org/10.1080/15567265.2020.1765912.
Abstract
In this study, non-equilibrium molecular dynamics simulations were conducted for a coexistence system of water and ice on a wall surface with a single nanoparticle to reveal the effects of water solidification on the nanoparticle in the vicinity of a wall surface. We further investigated the effect of the presence and size of particles on the density profile of water in the vicinity of the wall surface and the force acting on particles from water molecules, when the solidification interface contacted the wall and the particles. The results revealed that a strong mutual influence exists between the solidification interface and the nanoparticle on the wall’s surface; the nanoparticle on the wall prevents water solidification in proximity to the wall. Moreover, the force acting on the nanoparticle from water molecules changes as the solidification interface approaches; the cooling temperature is shown to affect the direction of this force. It indicates that the solidification process is a key influential factor which affects nanoparticle movements on a wall surface at molecular scales.
Publisher
Taylor and Francis Inc.
Source Title
Nanoscale and Microscale Thermophysical Engineering
Volume (Issue)
24(2)
Page
53-65
Date of Issued
2020-05-19
Language
English
Handle URL
https://hdl.handle.net/11094/93594
PISSN
15567265
eISSN
15567273
Relation.isVersionOf
DOI (Publisher Version)
https://doi.org/10.1080/15567265.2020.1765912
Access Rights
open access
CopyRight
© 2020 Taylor & Francis.
oaire:version
Author’s Original
Category
学術雑誌論文 Journal Article