# Formation of triclusters in silica melt under high pressure

https://mdr.nims.go.jp/datasets/d5480467-551a-436a-b386-527824fd8c44

## File

- [133_25042.pdf](https://mdr.nims.go.jp/filesets/dfa07ab9-e828-40ac-8a05-9b0b2081ec1b/download) ([Detail](https://mdr.nims.go.jp/filesets/dfa07ab9-e828-40ac-8a05-9b0b2081ec1b.md))

## Id

d5480467-551a-436a-b386-527824fd8c44

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2025-06-02T23:56:41.856868Z

## Updated at

2025-06-03T03:30:22.873869Z

## Published at

2025-06-03T03:21:32.760987Z

## Doi



## First published url

https://doi.org/10.2109/jcersj2.25042

## Date published

2025-06-01

## Recorded date published

2025

## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: Formation of triclusters in silica melt under high pressure
  title_type: original
  lang: en

## Description

- description: Silica (SiO2) is the major glass-forming material, and the structures
    of silica glass and melt have been extensively studied using X-ray and neutron
    diffraction techniques. The diffraction data of silica glass and melt show the
    first sharp diffraction peak (FSDP) at Q ~ 1.5 Å–1, which is a signature of intermediate-range
    order. In this study, we performed classical molecular dynamics (MD) simulations
    at 2000 K and 5 GPa to understand the behaviour of the diffraction peak associated
    with the modification of intermediate-range order. The high-pressure melt data
    obtained show the decrease in the height of FSDP with a shift of the peak position
    to the high-Q side in X-ray diffraction data, although the average coordination
    number of four was maintained. In addition, we observed the formation of OSi3
    triclusters, which share an oxygen atom with a SiO4 tetrahedron. This unusually
    dense packed atomic arrangement is the result of high pressure and is associated
    with the very sharp principal peak observed at Q ~ 3 Å–1 in the O–O partial structure
    factor derived by MD simulation.
  description_type: abstract
  lang: und

## Creator

- name: Shino Hayafune
  role: author
- name: Tatsuya Sakamaki
  role: author
- name: Haruki Ichikawa
  role: author
- name: Yohei Onodera
  role: author
  orcid: https://orcid.org/0000-0002-3080-6991
- name: Shinji Kohara
  role: author
  orcid: https://orcid.org/0000-0001-9596-2680
- name: Akio Suzuki
  role: author

## Contact agent



## Publisher

organization: Ceramic Society of Japan

## Managing organization



## Keyword

- subject: silica
  schema: not_defined
- subject: high pressure
  schema: not_defined
- subject: melt
  schema: not_defined
- subject: structure
  schema: not_defined

## Rights

- identifier: https://creativecommons.org/licenses/by/4.0/

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: Journal of the Ceramic Society of Japan
  issn: '13486535'
  volume: '133'
  issue: '6'
  article_number: '25042'

## Conference



## Related item



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## Instrument



## Instrument operator



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## Measurement method



## Specimen



## Chemical composition



## Structure for specimen



## Structural feature for specimen



## Specific property for specimen



## Process for specimen treatment



## Computational method



## Energy level/transition state



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## Custom property



## Fileset

- id: dfa07ab9-e828-40ac-8a05-9b0b2081ec1b
  filename: 133_25042.pdf
  content_type: application/pdf
  size: 533266
  md5: 5ba6af824444aa4f9b1a5f5c90560094

## Thumbnail

fileset_id: dfa07ab9-e828-40ac-8a05-9b0b2081ec1b
filename: 133_25042.pdf