Zobrazeno 1 - 10
of 58
pro vyhledávání: '"Haiyang Niu"'
Autor:
Mingfeng Liu, Jiantao Wang, Junwei Hu, Peitao Liu, Haiyang Niu, Xuexi Yan, Jiangxu Li, Haile Yan, Bo Yang, Yan Sun, Chunlin Chen, Georg Kresse, Liang Zuo, Xing-Qiu Chen
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-10 (2024)
Abstract Reconstructive phase transitions involving breaking and reconstruction of primary chemical bonds are ubiquitous and important for many technological applications. In contrast to displacive phase transitions, the dynamics of reconstructive ph
Externí odkaz:
https://doaj.org/article/28da3602c2f24ba58ca64983b8fcddec
Autor:
Xingyuan San, Junwei Hu, Mingyi Chen, Haiyang Niu, Paul J. M. Smeets, Christos D. Malliakas, Jie Deng, Kunmo Koo, Roberto dos Reis, Vinayak P. Dravid, Xiaobing Hu
Publikováno v:
Nature Communications, Vol 14, Iss 1, Pp 1-11 (2023)
Abstract Calcium carbonate (CaCO3), the most abundant biogenic mineral on earth, plays a crucial role in various fields such as hydrosphere, biosphere, and climate regulation. Of the four polymorphs, calcite, aragonite, vaterite, and amorphous CaCO3,
Externí odkaz:
https://doaj.org/article/64ccf58e4ff74b10a882794441fd5ad4
Publikováno v:
npj Computational Materials, Vol 7, Iss 1, Pp 1-11 (2021)
Abstract Crystal structure prediction has been widely used to accelerate the discovery of new materials in recent years. Up to this day, it remains a challenge to predict the stable stoichiometries and structures of ternary or more complex systems du
Externí odkaz:
https://doaj.org/article/e6c9cff49b8d42f29145f2b360266315
Publikováno v:
Nature Communications, Vol 11, Iss 1, Pp 1-9 (2020)
Exploring nucleation processes of gallium by molecular simulation is extremely challenging due to its structural complexity. Here the authors demonstrate a neural network potential trained on a multithermal–multibaric DFT data for the study of the
Externí odkaz:
https://doaj.org/article/99306e2039c34a7c91ddaf9529fc8080
Publikováno v:
Open Chemistry, Vol 17, Iss 1, Pp 728-737 (2019)
An experiment with OTC (Open-top Chamber) was conducted to study the influence of elevated CO2 concentration and high temperature on potato yields and quality, particularly the collaborative influence of these two factors on the accumulation of above
Externí odkaz:
https://doaj.org/article/c20466e4b75742cd820c7f872340b034
Autor:
Li, Maodong, Zhang, Jun, Haiyang, Niu, Lei, Yao Kun, Han, Xu, Yang, Lijiang, Ye, Zhiqiang, Yang, Yi Isaac, Gao, Yi Qin
Publikováno v:
J. Phys. Chem. Lett.13, 8601 (2022)
Water is one of the most abundant substances on Earth, and ice, i.e., solid water, has more than 18 known phases. Normally ice in nature exists only as Ice Ih, Ice Ic, or a stacking disordered mixture of both. Although many theoretical efforts have b
Externí odkaz:
http://arxiv.org/abs/2111.12234
Publikováno v:
Physical Chemistry Chemical Physics (PCCP); 10/14/2024, Vol. 26 Issue 38, p24954-24962, 9p
Publikováno v:
Chemistry of Materials.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6c80f3580865cf8649f031457c91abe4
https://doi.org/10.1021/acs.chemmater.3c00081
https://doi.org/10.1021/acs.chemmater.3c00081
Publikováno v:
Physical Review B. 107
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f4f70c2e3f08bddc3e40acb84836831e
https://doi.org/10.1103/physrevb.107.064103
https://doi.org/10.1103/physrevb.107.064103
Autor:
Maodong Li, Jun Zhang, Haiyang Niu, Yao-Kun Lei, Xu Han, Lijiang Yang, Zhiqiang Ye, Yi Isaac Yang, Yi Qin Gao
Publikováno v:
The journal of physical chemistry letters. 13(36)
Water is one of the most abundant molecules on Earth. However, this common and "simple" material has more than 18 different phases, which poses a great challenge to theoretically study the nature of water and ice. We designed two reaction coordinates
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9a493e7caa3b47821e70025fd2520650
https://pubmed.ncbi.nlm.nih.gov/36073968
https://pubmed.ncbi.nlm.nih.gov/36073968