
簡介:
王曉媛,陜西西安人,副教授、碩導,西安交通大學本科及碩士,日本京都大學機械理工學博士。2012-2018年任職于中國工程物理研究院,副研究員;2018年入職華東理工大學,副教授,博士生導師。
招生專業(yè):動力機械及工程(學碩);動力工程(專碩)
聯(lián)系方式:
上海市梅隴路130號華東理工大學77779193永利官網,郵編:200237。
郵箱: wangxiaoyuan@ecust.edu.cn
研究方向:
1.氣氛監(jiān)測傳感器設計
面向氫氣/甲烷等氣氛監(jiān)測及催化應用,研究基于石墨烯、二硫化鉬、Mxenes等新型二維材料等的氣氛吸附及催化特性。
2.基于人工智能大數(shù)據(jù)的材料性能預測
利用人工智能手段,并結合實驗及模擬結果,預測高能材料等復雜材料的力學及物理性質。
3.材料多物理場特性的機器學習模擬計算
利用第一原理計算、分子動力學、高通量計算等多種計算方法,研究鐵電材料、MOFs材料、高熵合金等功能材料的多物理場特型。
主要科研項目:
1.XX科技委基礎加強項目 :XX材料基礎研究
2.國家自然基金項目:新型二維納米材料——硼烯的電學性質及其調控的第一原理研究
3.新地能源中心項目:催化材料模擬計算
4.XX科技委項目:復雜裝備健康評估中的基礎科學技術問題研究
5.其他項目:功能材料多場作用的物理多尺度建模與模擬
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代表性論文:
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.
王曉媛, 趙豐鵬, 王杰, 閆亞賓. 金屬有機框架材料力學、電學及其應變調控特性的第一原理研究. 物理學報, 65: 178105, 2016.
王曉媛, 閆亞賓, 嶋田隆広, 北村隆行. 納米鐵電材料鐵電性及其力電耦合特性的原子尺度模擬研究. 無機材料學報, 30: 561-570, 2015.
王曉媛, 嶋田隆広, 北村隆行. 超薄鈦酸鉛納米管鐵電性和力電耦合特性的第一原理研究. 無機材料學報, 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.