Fast crystal growth of ice VII owing to the decoupling of translational and rotational ordering
Abstract Despite the abundance of water’s crystalline polymorphs, the growth mechanisms of most ice forms remain poorly understood. This study applies extensive molecular dynamics (MD) simulations to examine the growth of ice VII, revealing a fast growth rate comparable to pure metals while maintain...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2023-07-01
|
| Series: | Communications Physics |
| Online Access: | https://doi.org/10.1038/s42005-023-01285-y |
| _version_ | 1797784588223774720 |
|---|---|
| author | Xuan Zhang Yifeng Yao Hongyi Li Andre Python Kenji Mochizuki |
| author_facet | Xuan Zhang Yifeng Yao Hongyi Li Andre Python Kenji Mochizuki |
| author_sort | Xuan Zhang |
| collection | DOAJ |
| description | Abstract Despite the abundance of water’s crystalline polymorphs, the growth mechanisms of most ice forms remain poorly understood. This study applies extensive molecular dynamics (MD) simulations to examine the growth of ice VII, revealing a fast growth rate comparable to pure metals while maintaining robust hydrogen-bond networks. The results from an unsupervised machine learning applied to identify local structure suggest that the surface of ice VII consistently exhibits a body-centered cubic (bcc) plastic ice layer, indicating the decoupling of translational and rotational orderings. The study also uncovers the ultrafast growth rate of pure plastic ice, indicating that orientational disorder in the crystal structure may be associated with faster kinetics. Additionally, we discuss the impacts of interfacial plastic layer width and surface roughness on growth mode. |
| first_indexed | 2024-03-13T00:42:02Z |
| format | Article |
| id | doaj.art-dd43239cdf054f85ab024e452eaf6cd0 |
| institution | Directory Open Access Journal |
| issn | 2399-3650 |
| language | English |
| last_indexed | 2024-03-13T00:42:02Z |
| publishDate | 2023-07-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Communications Physics |
| spelling | doaj.art-dd43239cdf054f85ab024e452eaf6cd02023-07-09T11:15:55ZengNature PortfolioCommunications Physics2399-36502023-07-016111110.1038/s42005-023-01285-yFast crystal growth of ice VII owing to the decoupling of translational and rotational orderingXuan Zhang0Yifeng Yao1Hongyi Li2Andre Python3Kenji Mochizuki4Department of Chemistry, Zhejiang UniversityDepartment of Chemistry, Zhejiang UniversitySchool of Mathematical Sciences, Zhejiang UniversitySchool of Mathematical Sciences, Zhejiang UniversityDepartment of Chemistry, Zhejiang UniversityAbstract Despite the abundance of water’s crystalline polymorphs, the growth mechanisms of most ice forms remain poorly understood. This study applies extensive molecular dynamics (MD) simulations to examine the growth of ice VII, revealing a fast growth rate comparable to pure metals while maintaining robust hydrogen-bond networks. The results from an unsupervised machine learning applied to identify local structure suggest that the surface of ice VII consistently exhibits a body-centered cubic (bcc) plastic ice layer, indicating the decoupling of translational and rotational orderings. The study also uncovers the ultrafast growth rate of pure plastic ice, indicating that orientational disorder in the crystal structure may be associated with faster kinetics. Additionally, we discuss the impacts of interfacial plastic layer width and surface roughness on growth mode.https://doi.org/10.1038/s42005-023-01285-y |
| spellingShingle | Xuan Zhang Yifeng Yao Hongyi Li Andre Python Kenji Mochizuki Fast crystal growth of ice VII owing to the decoupling of translational and rotational ordering Communications Physics |
| title | Fast crystal growth of ice VII owing to the decoupling of translational and rotational ordering |
| title_full | Fast crystal growth of ice VII owing to the decoupling of translational and rotational ordering |
| title_fullStr | Fast crystal growth of ice VII owing to the decoupling of translational and rotational ordering |
| title_full_unstemmed | Fast crystal growth of ice VII owing to the decoupling of translational and rotational ordering |
| title_short | Fast crystal growth of ice VII owing to the decoupling of translational and rotational ordering |
| title_sort | fast crystal growth of ice vii owing to the decoupling of translational and rotational ordering |
| url | https://doi.org/10.1038/s42005-023-01285-y |
| work_keys_str_mv | AT xuanzhang fastcrystalgrowthoficeviiowingtothedecouplingoftranslationalandrotationalordering AT yifengyao fastcrystalgrowthoficeviiowingtothedecouplingoftranslationalandrotationalordering AT hongyili fastcrystalgrowthoficeviiowingtothedecouplingoftranslationalandrotationalordering AT andrepython fastcrystalgrowthoficeviiowingtothedecouplingoftranslationalandrotationalordering AT kenjimochizuki fastcrystalgrowthoficeviiowingtothedecouplingoftranslationalandrotationalordering |