
簡(jiǎn)介:
王曉媛,陜西西安人,副教授、碩導(dǎo),西安交通大學(xué)本科及碩士,日本京都大學(xué)機(jī)械理工學(xué)博士。2012-2018年任職于中國(guó)工程物理研究院,副研究員;2018年入職華東理工大學(xué),副教授,博士生導(dǎo)師。
招生專業(yè):動(dòng)力機(jī)械及工程(學(xué)碩);動(dòng)力工程(專碩)
聯(lián)系方式:
上海市梅隴路130號(hào)華東理工大學(xué)77779193永利官網(wǎng),郵編:200237。
郵箱: wangxiaoyuan@ecust.edu.cn
研究方向:
1.氣氛監(jiān)測(cè)傳感器設(shè)計(jì)
面向氫氣/甲烷等氣氛監(jiān)測(cè)及催化應(yīng)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(yù)測(cè)
利用人工智能手段,并結(jié)合實(shí)驗(yàn)及模擬結(jié)果,預(yù)測(cè)高能材料等復(fù)雜材料的力學(xué)及物理性質(zhì)。
3.材料多物理場(chǎng)特性的機(jī)器學(xué)習(xí)模擬計(jì)算
利用第一原理計(jì)算、分子動(dòng)力學(xué)、高通量計(jì)算等多種計(jì)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(chǎng)特型。
主要科研項(xiàng)目:
1.XX科技委基礎(chǔ)加強(qiáng)項(xiàng)目 :XX材料基礎(chǔ)研究
2.國(guó)家自然基金項(xiàng)目:新型二維納米材料——硼烯的電學(xué)性質(zhì)及其調(diào)控的第一原理研究
3.新地能源中心項(xiàng)目:催化材料模擬計(jì)算
4.XX科技委項(xiàng)目:復(fù)雜裝備健康評(píng)估中的基礎(chǔ)科學(xué)技術(shù)問(wèn)題研究
5.其他項(xiàng)目:功能材料多場(chǎng)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(jī)框架材料力學(xué)、電學(xué)及其應(yīng)變調(diào)控特性的第一原理研究. 物理學(xué)報(bào), 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(wú)機(jī)材料學(xué)報(bào), 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(wú)機(jī)材料學(xué)報(bào), 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.