# High-Temperature Atomic Diffusion and Specific Heat in Quasicrystals

https://mdr.nims.go.jp/datasets/cf5c40ba-7a96-4bab-b33a-6a88949dd994

## File

- [acceptedversion_PRL.pdf](https://mdr.nims.go.jp/filesets/660b8b35-c9e1-4b58-b957-5ac40d062139/download) ([Detail](https://mdr.nims.go.jp/filesets/660b8b35-c9e1-4b58-b957-5ac40d062139.md))

## Id

cf5c40ba-7a96-4bab-b33a-6a88949dd994

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2024-08-09T07:07:13.080302Z

## Updated at

2024-08-19T03:30:16.592403Z

## Published at

2024-08-19T03:30:16.991483Z

## Doi

https://doi.org/10.48505/nims.4652

## First published url

https://doi.org/10.1103/physrevlett.132.196301

## Date published

2024-05-10

## Recorded date published

2024-5

## Resource type

journal_article

## Manuscript type

accepted_manuscript

## Collection



## Title

- title: High-Temperature Atomic Diffusion and Specific Heat in Quasicrystals
  title_type: original
  lang: en

## Description

- description: A quasicrystal is an ordered but non-periodic structure understood
    as a projection from a higher dimensional periodic structure. Some physical properties
    of quasicrystals are different from those of conventional solids. An anomalous
    increase in heat capacity at high temperatures has been discussed for over two
    decades as a manifestation of a hidden high dimensionality of quasicrystals. A
    plausible candidate for this origin has been phason, which has excitation modes
    originating from the additional atomic rearrangements introduced by the quasiperiodic
    order, which can be understood in terms of shifting a higher dimensional lattice.
    However, most theoretical studies on phasons have used toy models. A theoretical
    study of the heat capacity of realistic quasicrystals or their approximants has
    yet to be conducted because of the huge computational complexity. To bridge this
    gap between experiment and theory, we show experiments and molecular simulations
    on the same material, an Al–Pd–Ru quasicrystal, and its approximants. We show
    that at high temperatures, aluminum atoms diffuse with discontinuous-like jumps,
    and the diffusion paths of the aluminum can be understood in terms of jumps corresponding
    to hyperatomic fluctuations associated atomic rearrangements of the phason degrees
    of freedom. It is concluded that the anomaly in the heat capacity of quasicrystals
    arises from the hyperatomic fluctuations that play a role in diffusive Nambu–Goldstone
    modes.
  description_type: abstract
  lang: und

## Creator

- name: Yuki Nagai
  role: author
- name: Yutaka Iwasaki
  role: author
  orcid: https://orcid.org/0000-0002-7317-4939
  organization: National Institute for Materials Science
- name: Koichi Kitahara
  role: author
- name: Yoshiki Takagiwa
  role: author
  orcid: https://orcid.org/0000-0003-4508-1708
  organization: National Institute for Materials Science
- name: Kaoru Kimura
  role: author
  orcid: https://orcid.org/0000-0001-5050-4256
  organization: National Institute for Materials Science
- name: Motoyuki Shiga
  role: author

## Contact agent



## Publisher

organization: American Physical Society (APS)

## Managing organization



## Keyword

- subject: Quasicrystal
  schema: not_defined
- subject: specific heat
  schema: not_defined
- subject: machine-learning molecular dynamics
  schema: not_defined
- subject: phason
  schema: not_defined

## Rights

- description: "© 2024 American Physical Society　　"
  identifier: http://rightsstatements.org/vocab/InC/1.0/

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: Physical Review Letters
  issn: '10797114'
  volume: '132'
  issue: '19'
  article_number: '196301'

## Conference



## Related item



## Funding

- identifier: 18K11345
  funder_name: Japan Society for the Promotion of Science
- identifier: 20H05278
  funder_name: Japan Society for the Promotion of Science
- identifier: 22H04602
  funder_name: Japan Society for the Promotion of Science
- identifier: 22K03539
  funder_name: Japan Society for the Promotion of Science
- identifier: 19H05818
  funder_name: Japan Society for the Promotion of Science
- identifier: 19H05821
  funder_name: Japan Society for the Promotion of Science
- identifier: 19J21779
  funder_name: Japan Society for the Promotion of Science
- identifier: 18H05519
  funder_name: Japan Society for the Promotion of Science
- identifier: 21H01603
  funder_name: Japan Society for the Promotion of Science

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## Fileset

- id: 660b8b35-c9e1-4b58-b957-5ac40d062139
  filename: acceptedversion_PRL.pdf
  content_type: application/pdf
  size: 3973493
  md5: 5960cd856a21c6a2cdc5fb7f4efd5985

## Thumbnail

fileset_id: 660b8b35-c9e1-4b58-b957-5ac40d062139
filename: acceptedversion_PRL.pdf