简介:
王晓媛,陕西西安人,副教授、硕导,西安交通大学本科及硕士,日本京都大学机械理工学博士。2012-2018年任职于中国工程物理研究院,副研究员;2018年入职ok138cn太阳集团古天乐,副教授,博士生导师。
招生专业:动力机械及工程(学硕);动力工程(专硕)
联系方式:
上海市梅陇路130号ok138cn太阳集团古天乐,邮编:200237。
邮箱: wangxiaoyuan@ecust.edu.cn
研究方向:
1.气氛监测传感器设计
面向氢气/甲烷等气氛监测及催化应用,研究基于石墨烯、二硫化钼、Mxenes等新型二维材料等的气氛吸附及催化特性。
2.基于人工智能大数据的材料性能预测
利用人工智能手段,并结合实验及模拟结果,预测高能材料等复杂材料的力学及物理性质。
3.材料多物理场特性的机器学习模拟计算
利用第一原理计算、分子动力学、高通量计算等多种计算方法,研究铁电材料、MOFs材料、高熵合金等功能材料的多物理场特型。
主要科研项目:
1.XX科技委基础加强项目 :XX材料基础研究
2.国家自然基金项目:新型二维纳米材料——硼烯的电学性质及其调控的第一原理研究
3.新地能源中心项目:催化材料模拟计算
4.XX科技委项目:复杂装备健康评估中的基础科学技术问题研究
5.其他项目:功能材料多场作用的物理多尺度建模与模拟
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代表性论文:
Xiaoyuan Wang, Mingzhi Xiang, Meng Yin, Yabin Yan , Fuzhen Xuan. From continuum to quantum mechanics study on the fracture of nanoscale notched brittle materials. International Journal of Mechanical Sciences, 199: 106402, 2021
Xiaoyuan Wang, Rongyao Wu, Pengfei Tian, Yabin Yan, Yang Gao, Fuzhen Xuan. Borophene Nanoribbons via Strain Engineering for the Hydrogen Evolution Reaction: A First-Principles Study. The Journal of Physical Chemistry C, 125: 16955-16962, 2021
Xiaoyuan Wang, RongyaoWu, Tao Xu, Yang Gao,Mechanical and electrical properties of borophene and its band structure modulation via strain and electric fields: a first-principles study, Mater. Res. Express, 8:065003, 2021
Tao Xu, Xiaoyuan Wang, Jiawei Mai, Jingtong Zhang, Jie Wang, and Tong-Yi Zhang. Strain engineering for 2D ferroelectricity in lead chalcogenides, Adv. Electron. Mater., 6, 1900932, 2020
Xiaoyuan Wang, Tao Xu, Fuzhen Xuan, ChangQing Chen , Takahiro Shimada, and Takayuki Kitamura. Effect of the oxygen vacancy on the ferroelectricity of 90° domain wall structure in PbTiO3: A density functional theory study, Journal of Applied Physics, 126:174107, 2019
Xiaoyuan Wang, Yabin Yan, Takahiro Shimada, Jie Wang, Takayuki Kitamura. Ferroelectric critical size and vortex domain structures of PbTiO3 nanodots: A density functional theory study. Journal of Applied Physics, 123: 114101, 2018.
Tao Xu, Takahiro Shimada, Yoshitaka Uratani, Xiaoyuan Wang, Jie Wang, Takayuki Kitamura. Multiferroic phases and transitions in ferroelectric lead titanate nanodots. Scientific Reports, 7: 45373, 2017.
Yajun Zhang, Jie Wang, M.P. K. Sahoo, Xiaoyuan Wang, Takahiro Shimada, Takayuki Kitamura. Hybrid improper ferroelectricity in SrZrO3/BaZrO3 superlattice. Physical Chemistry Chemical Physics, 18: 24024, 2016.
Xiaoyuan Wang, Yabin Yan, Qiang Wan, Takashi Sumigawa, Takayuki Kitamura. A nano-cantilever method for crack initiation at the free edge of the Cu/Si interface in nanoscale materials. Acta Mechanica Solida Sinica, 29: 1-12, 2016.
王晓媛, 赵丰鹏, 王杰, 闫亚宾. 金属有机框架材料力学、电学及其应变调控特性的第一原理研究. 物理学报, 65: 178105, 2016.
王晓媛, 闫亚宾, 嶋田隆広, 北村隆行. 纳米铁电材料铁电性及其力电耦合特性的原子尺度模拟研究. 无机材料学报, 30: 561-570, 2015.
王晓媛, 嶋田隆広, 北村隆行. 超薄钛酸铅纳米管铁电性和力电耦合特性的第一原理研究. 无机材料学报, 29: 309-314, 2014.
Jie Wang, Tao Xu, Takahiro Shimada, Xiaoyuan Wang, Tongyi Zhang, Takayuki Kitamura. Chiral selectivity of improper ferroelectricity in single-wall PbTiO3 nanotubes. Physical Review B, 89: 144102, 2014.
Takahiro Shimada, Xiaoyuan Wang, Takayuki Kitamura. Multi-physics analysis of nano-structured ferroelectrics by first-principles simulations. Acta Mechanica, 224: 1261, 2013.
Xiaoyuan Wang, Shogo Tomoda, Takahiro Shimada, Takayuki Kitamura. Ferroelectricity at a junction structure of a 180º domain wall and a (001) surface in PbTiO3: A density functional theory study. Physica B: Condensed Matter, 410: 22-27, 2013.
Xiaoyuan Wang, Shogo Tomoda, Takahiro Shimada, Takayuki Kitamura. Local suppression of ferroelectricity at PbTiO3 surface steps: A density functional theory study. Journal of Physics: Condensed Matter, 24: 045903, 2012.
Takahiro Shimada, Xiaoyuan Wang, Yoshiaki Kondo, Takayuki Kitamura. Absence of ferroelectric critical size in ultrathin PbTiO3 nanotubes: A density-functional theory study. Physical Review Letters, 108: 067601, 2012.