Effect of K2O on the crystallization mechanism of SiO2-Li2O glass analyzed by molecular dynamic simulation
文献类型：期刊论文
| 作者 | Xu, Kewei1,2; Peng, Lian1; Zhu, Qingshan1,2 |
| 刊名 | MOLECULAR CRYSTALS AND LIQUID CRYSTALS
 |
| 出版日期 | 2022-08-26 |
| 页码 | 17 |
| 关键词 | Crystallization mechanism lithium disilicate glass molecular dynamic simulation |
| ISSN号 | 1542-1406 |
| DOI | 10.1080/15421406.2022.2117640 |
| 英文摘要 | The molecular dynamics method is used to analyze the effect of K2O on crystallization of SiO2-Li2O glass. The dependence of Q(n) (Number of bridging oxygens connected to a silicon atom in the network) on temperature was calculated, which was used to analyze the crystallization behavior of three glasses combined with their XRD results. The relationship between Q(n) and crystalline phases was finally established. When Q(3) > Q(2) and Q(4) is high, LD is the only crystalline phase at both low and high temperature (with a cutoff point of 973 K). When Q(3) > Q(2) and Q(4) is low, LMS is a major crystalline phase and LD is a minor crystalline phase at low temperature, but LD is a major crystalline phase and LMS is a minor crystalline phase at high temperature. When Q(3) approximate to Q(2) and Q(4) is low, LMS is the only crystalline phase at both low and high temperature. |
| WOS关键词 | LITHIUM DISILICATE GLASS ; ALKALI SILICATE-GLASSES ; IN-SITU ; STRENGTH ; KINETICS ; XRD ; NUCLEATION ; CRYSTAL ; INSIGHT |
| WOS研究方向 | Chemistry ; Crystallography ; Materials Science |
| 语种 | 英语 |
| WOS记录号 | WOS:000849577500001 |
| 出版者 | TAYLOR & FRANCIS LTD |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/54555]  |
| 专题 | 中国科学院过程工程研究所 |
| 通讯作者 | Peng, Lian; Zhu, Qingshan |
| 作者单位 | 1.Chinese Acad Sci, Inst Proc Engn, State Key Lab Multiphase Complex Syst, POB 313, Beijing 100190, Peoples R China 2.Univ Chinese Acad Sci, Sch Chem Engn, Beijing, Peoples R China |
| 推荐引用方式 GB/T 7714 | Xu, Kewei,Peng, Lian,Zhu, Qingshan. Effect of K2O on the crystallization mechanism of SiO2-Li2O glass analyzed by molecular dynamic simulation[J]. MOLECULAR CRYSTALS AND LIQUID CRYSTALS,2022:17. |
| APA | Xu, Kewei,Peng, Lian,&Zhu, Qingshan.(2022).Effect of K2O on the crystallization mechanism of SiO2-Li2O glass analyzed by molecular dynamic simulation.MOLECULAR CRYSTALS AND LIQUID CRYSTALS,17. |
| MLA | Xu, Kewei,et al."Effect of K2O on the crystallization mechanism of SiO2-Li2O glass analyzed by molecular dynamic simulation".MOLECULAR CRYSTALS AND LIQUID CRYSTALS (2022):17. |
入库方式： OAI收割
来源：过程工程研究所
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