基于SCAN meta-GGA泛函从头算分子动力学对过冷水性质反常机制的研究

11874191
2018
A2012.液态、准晶与非晶态物理
赵刚
面上项目
教授
鲁东大学
60万元
过冷液态;反常性质;水;液液相变;液态结构
2019-01-01到2022-12-31
  • 中英文摘要
  • 结题摘要
  • 结题报告
  • 项目成果
  • 项目参与人
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序号 标题 类型 作者
1 Born–Oppenheimer molecular dynamics simulations on structures of high-density and low-density water: a comparison of the SCAN meta-GGA and PBE GGA functionals 期刊论文 Mengli Li;Lu Chen;Lirong Gui;Shuo Cao;Di Liu;Gang Zhao;Mingcui Ding;Jinliang Yan;Dehua Wang
2 Heat transfer of liquid metal alloy on copper plate deposited with film of different surface free energy 期刊论文 Huilong Yan;Jinliang Yan;Gang Zhao
3 Equation of state of water based on the SCAN meta-GGA density functional 期刊论文 Gang Zhao;Shuyi Sh;Huijuan Xie;Qiushuang Xu;Mingcui Ding;Xuguang Zhao;Jinliang Yan;Dehua Wang
4 The thermodynamic property for the particle confined in a linear potential 期刊论文 De-hua Wang;Xue Liu;Xin-yu Xie;Wei Liu;Bin-hua Chu;Gang Zhao
5 Photoionization dynamics of Rydberg atom in a space-dependent magnetic field 期刊论文 De-Hua Wang;Gang Zhao;Zhao-Peng Sun;Shu-Fang Zhang
6 Wave packet dynamics for a system in the quantum well with one moving wall 期刊论文 De-Hua Wang;Hua Wang;Hai-Feng Mu;Tong Shi;Xin-Yue Sun;Gang Zhao;Qin-Feng Xu
7 Quantum mechanical effects for a hydrogen atom confined in a dielectric spherical microcavity 期刊论文 De-Hua Wang;Jie Zhang;Zhao-Peng Sun;Shu-Fang Zhang;Gang Zhao
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