电子邮件： denglu@siom.ac.cn
通信地址： 上海市嘉定区汇旺东路899号
邮政编码： 201800
研究领域
招生信息
招生专业
招生方向
工作经历
工作简历
出版信息
代表性论文
[1] 严静萍; 邓路*; 胡丽丽. 磷酸盐玻璃结构与性能的研究进展. 硅酸盐学报[J]. 2022, 50(4): 1006-1021.
[2] Deng, Lu; Lu, Xiaonan; Vienna, John D; Du, Jincheng*. Structures of Vanadium-Containing Silicate and Borosilicate Glasses: Vanadium Potential Development and MD Simulations. JOURNAL OF NON-CRYSTALLINE SOLIDS[J]. 2022, 575:121223.
[3] Deng, Lu; Miyatani, Katsuaki; Suehara, Michinori; Amma, Shinichi; Ono, Madoka; Urata, Shingo; Du, Jincheng*. Ion-exchange mechanisms and interfacial reaction kinetics during aqueous corrosion of sodium silicate glasses. NPJ MATERIALS DEGRADATION[J]. 2021, 5(1):1-13.
[4] Deng, Lu; Urata, Shingo; Takimoto, Yasuyuki; Miyajima, Tatsuya; Hahn, Seung Ho; van Duin, Adri C T; Du, Jincheng*. Structural features of sodium silicate glasses from reactive force field-based molecular dynamics simulations. JOURNAL OF THE AMERICAN CERAMIC SOCIETY[J]. 2020, 103(3): 1600-1614.
[5] Deng, Lu; Du, Jincheng*. Development of boron oxide potentials for computer simulations of multicomponent oxide glasses (vol 102, pg 2482, 2019). JOURNAL OF THE AMERICAN CERAMIC SOCIETY[J]. 2020, 103(4): 2933-2933.
[6] Deng, Lu; Miyatani, Katsuaki; Amma, Shinichi; Suehara, Michinori; Ono, Madoka; Yamamoto, Yuichi; Urata, Shingo; Du, Jincheng*. Reaction Mechanisms and Interfacial Behaviors of Sodium Silicate Glass in an Aqueous Environment from Reactive Force Field-Based Molecular Dynamics Simulations. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2019, 123(35): 21538-21547.
[7] Deng, Lu; Du, Jincheng*. Development of boron oxide potentials for computer simulations of multicomponent oxide glasses. JOURNAL OF THE AMERICAN CERAMIC SOCIETY[J]. 2019, 102(5): 2482-2505, [16] Lu, Xiaonan, Ren, Mengguo, Deng, Lu, Benmore, Chris J, Du, Jincheng. Structural features of ISG borosilicate nuclear waste glasses revealed from high-energy X-ray diffraction and molecular dynamics simulations. JOURNAL OF NUCLEAR MATERIALS[J]. 2019, 515: 284-293.
[8] Deng, Lu; Du, Jincheng*. Development of effective empirical potentials for molecular dynamics simulations of the structures and properties of boroaluminosilicate glasses. JOURNAL OF NON-CRYSTALLINE SOLIDS[J]. 2016, 453: 177-194.
发表专著
[1] Deng, L., Du, J. (2022). Borosilicate and Boroaluminosilicate Glasses. In Atomistic Simulations of Glasses (eds J. Du and A.N. Cormack).
[2] Rimsza, J.M., Mahadevan, T.S., Deng, L. and Du, J. (2022). Simulations of Glass–Water Interactions. In Atomistic Simulations of Glasses (eds J. Du and A. N. Cormack).
其他发表著作
[1] Lu, Xiaonan; Deng, Lu; Saslow, Sarah A; Liu, Hongshen; Benmore, Chris J; Parruzot, Benjamin P; Reiser, Joelle T; Kim, Seong H; Ryan, Joseph V; Vienna, John D; Du, Jincheng*. Vanadium Oxidation States and Structural Role in Aluminoborosilicate Glasses: An Integrated Experimental and Molecular Dynamics Simulation Study. JOURNAL OF PHYSICAL CHEMISTRY B[J]. 2021, 125(44): 12365-12377.
[2] Lu, Xiaonan; Deng, Lu; Du, Jincheng; Vienna, John D*. Predicting boron coordination in multicomponent borate and borosilicate glasses using analytical models and machine learning. JOURNAL OF NON-CRYSTALLINE SOLIDS[J]. 2021, 553:120490.
[3] Tuheen, Manzila Islam; Deng, Lu; Du, Jincheng*. A comparative study of the effectiveness of empirical potentials for molecular dynamics simulations of borosilicate glasses. JOURNAL OF NON-CRYSTALLINE SOLIDS[J]. 2021, 553:120413.
[4] Lu, Xiaonan; Deng, Lu; Gin, Stephane; Du, Jincheng*. Quantitative Structure-Property Relationship (QSPR) Analysis of ZrO2-Containing Soda-Lime Borosilicate Glasses. JOURNAL OF PHYSICAL CHEMISTRY B[J]. 2019, 123(6): 1412-1422.
[5] Lu, Xiaonan; Deng, Lu; Kerisit, Sebastien; Du, Jincheng*. Structural role of ZrO2 and its impact on properties of boroaluminosilicate nuclear waste glasses. NPJ MATERIALS DEGRADATION[J]. 2018, 2(1): 19.
[6] Lu, Xiaonan; Deng, Lu; Du, Jincheng*. Effect of ZrO2 on the structure and properties of soda-lime silicate glasses from molecular dynamics simulations. JOURNAL OF NON-CRYSTALLINE SOLIDS[J]. 2018, 491: 141-150.
[7] Lu, Xiaonan; Deng, Lu; Huntley, Caitlin; Ren, Mengguo; Kuo, PoHsuen; Thomas, Ty; Chen, Jonathan; Du, Jincheng*. Mixed Network Former Effect on Structure, Physical Properties, and Bioactivity of 45S5 Bioactive Glasses: An Integrated Experimental and Molecular Dynamics Simulation Study. JOURNAL OF PHYSICAL CHEMISTRY B[J]. 2018, 122(9): 2564-2577.
[8] Ren, Mengguo; Deng, Lu; Du, Jincheng*. Surface structures of sodium borosilicate glasses from molecular dynamics simulations. JOURNAL OF THE AMERICAN CERAMIC SOCIETY[J]. 2017, 100(6): 2516-2524.
[9] Lu, Xiaonan; Deng, Lu; Kuo, PoHsuen; Ren, Mengguo; Buterbaugh, Ian; Du, Jincheng*. Effects of boron oxide substitution on the structure and bioactivity of SrO-containing bioactive glasses. JOURNAL OF MATERIALS SCIENCE[J]. 2017, 52(15): 8793-8811.
[10] Ren, Mengguo; Deng, Lu; Du, Jincheng*. Bulk, surface structures and properties of sodium borosilicate and boroaluminosilicate nuclear waste glasses from molecular dynamics simulations. JOURNAL OF NON-CRYSTALLINE SOLIDS[J]. 2017, 476: 87-94.
[11] Rimsza, J M; Deng, Lu; Du, Jincheng*. Molecular dynamics simulations of nanoporous organosilicate glasses using Reactive Force Field (ReaxFF). JOURNAL OF NON-CRYSTALLINE SOLIDS[J]. 2016, 431: 103-111.
[12] Du, Jincheng*; Lu, Xiaonan; Gin, Stephane; Delaye, JeanMarc; Deng, Lu; Taron, Melanie; Bisbrouck, Nicolas; Bauchy, Mathieu; Vienna, John D. Predicting the dissolution rate of borosilicate glasses using QSPR analysis based on molecular dynamics simulations. JOURNAL OF THE AMERICAN CERAMIC SOCIETY[J]. 2021, 104(9): 4445-4458.
[13] Lu, Xiaonan; Reiser, Joelle T*; Parruzot, Benjamin; Deng, Lu; Gussev, Igor M; Neuefeind, Jorg C; Graham, Trent R; Liu, Hongshen; Ryan, Joseph V; Kim, Seong H; Washton, Nancy; Lang, Maik; Du, Jincheng; Vienna, John D*. Effects of Al:Si and (Al plus Na):Si ratios on the properties of the international simple glass, part II: Structure. JOURNAL OF THE AMERICAN CERAMIC SOCIETY[J]. 2021, 104(1): 183-207.
[14] Ohkubo, Takahiro*; Urata, Shingo; Imamura, Yutaka; Taniguchi, Taketoshi; Ishioka, Nanae; Tanida, Masamichi; Tsuchida, Eiji; Deng, Lu; Du, Jincheng. Modeling the Structure and Dynamics of Lithium Borosilicate Glasses with Ab Initio Molecular Dynamics Simulations. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2021, 125(15): 8080-8089.
[15] Perea, Daniel E*; Schreiber, Daniel K*; Ryan, Joseph V; Wirth, Mark G; Deng, Lu; Lu, Xiaonan; Du, Jincheng; Vienna, John D. Tomographic mapping of the nanoscale water-filled pore structure in corroded borosilicate glass. NPJ MATERIALS DEGRADATION[J]. 2020, 4(1): 8.
[16] Gin, Stephane*; Wang, Mengyi; Bisbrouck, Nicolas; Taron, Melanie; Lu, Xiaonan; Deng, Lu; Angeli, Frederic; Charpentier, Thibault; Delaye, JeanMarc; Du, Jincheng; Bauchy, Mathieu. Can a simple topological-constraints-based model predict the initial dissolution rate of borosilicate and aluminosilicate glasses?. NPJ MATERIALS DEGRADATION[J]. 2020, 4(1): 6.
[17] Lu, Xiaonan; Ren, Mengguo; Deng, Lu; Benmore, Chris J; Du, Jincheng*. Structural features of ISG borosilicate nuclear waste glasses revealed from high-energy X-ray diffraction and molecular dynamics simulations. JOURNAL OF NUCLEAR MATERIALS[J]. 2019, 515: 284-293.
[18] Fortino, Mariagrazia; Berselli, Alessandro; StoneWeiss, Nicholas; Deng, Lu; Goel, Ashutosh; Du, Jincheng; Pedone, Alfonso*. Assessment of interatomic parameters for the reproduction of borosilicate glass structures via DFT-GIPAW calculations. JOURNAL OF THE AMERICAN CERAMIC SOCIETY[J]. 2019, 102(12): 7225-7243.
[19] Collin, Marie; Fournier, Maxime; Frugier, Pierre; Charpentier, Thibault; Moskura, Melanie; Deng, Lu; Ren, Mengguo; Du, Jincheng; Gin, Stephane*. Structure of International Simple Glass and properties of passivating layer formed in circumneutral pH conditions. NPJ MATERIALS DEGRADATION[J]. 2018, 2(1): 4.
[20] Hahn, Seung Ho; Rimsza, Jessica M; Criscenti, Louise; Sun, Wei; Deng, Lu; Du, Jincheng; Liang, Tao; Sinnott, Susan B; van Duin, Adri C T*. Development of a ReaxFF Reactive Force Field for NaSiOx/Water Systems and Its Application to Sodium and Proton Self-Diffusion. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2018, 122(34): 19613-19624.
[21] Barclay, Joshua D; Okobiah, Oseoghaghare; Deng, Lu; Sengphanlaya, Tina; Du, Jincheng; Reidy, R F*. High temperature water as a clean and etch of low-k and SiO2 films. MICROELECTRONIC ENGINEERING[J]. 2018, 196: 54-58.
[22] Ren, Mengguo; Lu, Xiaonan; Deng, Lu; Kuo, PoHsuen; Du, Jincheng*. B2O3/SiO2 substitution effect on structure and properties of Na2O-CaO-SrO-P2O5-SiO2 bioactive glasses from molecular dynamics simulations. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2018, 20(20): 14090-14104.