| Development of boron oxide potentials for computer simulations of multicomponent oxide glasses L Deng, J Du Journal of the American Ceramic Society 102 (5), 2482-2505, 2019 | 179 | 2019 |
| Structure of International Simple Glass and properties of passivating layer formed in circumneutral pH conditions M Collin, M Fournier, P Frugier, T Charpentier, M Moskura, L Deng, ... npj Materials Degradation 2, 4, 2018 | 128 | 2018 |
| Development of effective empirical potentials for molecular dynamics simulations of the structures and properties of boroaluminosilicate glasses L Deng, J Du Journal of non-crystalline solids 453, 177－194, 2016 | 106 | 2016 |
| Development of a ReaxFF Reactive Force Field for NaSiOx/Water Systems and Its Application to Sodium and Proton Self-Diffusion SH Hahn, JM Rimsza, LJ Criscenti, W Sun, L Deng, J Du, T Liang, ... The Journal of Physical Chemistry C 122, 19613-19624, 2018 | 97 | 2018 |
| Effects of system size and cooling rate on the structure and properties of sodium borosilicate glasses from molecular dynamics simulations L Deng, J Du The Journal of Chemical Physics 148 (2), 2018 | 90 | 2018 |
| Effect of ZrO2 on the structure and properties of soda-lime silicate glasses from molecular dynamics simulations X Lu, L Deng, J Du Journal of Non-Crystalline Solids 491, 141-150, 2018 | 72 | 2018 |
| Structural role of ZrO 2 and its impact on properties of boroaluminosilicate nuclear waste glasses X Lu, L Deng, S Kerisit, J Du npj Materials Degradation 2, 19, 2018 | 66 | 2018 |
| B 2 O 3/SiO 2 substitution effect on structure and properties of Na 2 O–CaO–SrO–P 2 O 5–SiO 2 bioactive glasses from molecular dynamics simulations M Ren, X Lu, L Deng, PH Kuo, J Du Physical Chemistry Chemical Physics 20 (20), 14090-14104, 2018 | 58 | 2018 |
| Effects of boron oxide substitution on the structure and bioactivity of SrO-containing bioactive glasses X Lu, L Deng, PH Kuo, M Ren, I Buterbaugh, J Du Journal of Materials Science 52 (15), 8793-8811, 2017 | 57 | 2017 |
| Quantitative Structure–Property Relationship (QSPR) Analysis of ZrO2-Containing Soda-Lime Borosilicate Glasses X Lu, L Deng, S Gin, J Du The Journal of Physical Chemistry B 123 (6), 1412-1422, 2019 | 50 | 2019 |
| Bulk, surface structures and properties of sodium borosilicate and boroaluminosilicate nuclear waste glasses from molecular dynamics simulations M Ren, L Deng, J Du Journal of Non-Crystalline Solids 476, 87-94, 2017 | 50 | 2017 |
| Structural features of ISG borosilicate nuclear waste glasses revealed from high-energy X-ray diffraction and molecular dynamics simulations X Lu, M Ren, L Deng, CJ Benmore, J Du Journal of Nuclear Materials 515, 284-293, 2019 | 43 | 2019 |
| Assessment of interatomic parameters for the reproduction of borosilicate glass structures via DFT‐GIPAW calculations M Fortino, A Berselli, N Stone‐Weiss, L Deng, A Goel, J Du, A Pedone Journal of the American Ceramic Society 102 (12), 7225-7243, 2019 | 41 | 2019 |
| Mixed network former effect on structure, physical properties, and bioactivity of 45S5 bioactive glasses: an integrated experimental and molecular dynamics simulation study X Lu, L Deng, C Huntley, M Ren, PH Kuo, T Thomas, J Chen, J Du The Journal of Physical Chemistry B 122 (9), 2564-2577, 2018 | 41 | 2018 |
| Predicting boron coordination in multicomponent borate and borosilicate glasses using analytical models and machine learning X Lu, L Deng, J Du, JD Vienna Journal of Non-Crystalline Solids 553, 120490, 2021 | 40 | 2021 |
| Reaction mechanisms and interfacial behaviors of sodium silicate glass in an aqueous environment from reactive force field-based molecular dynamics simulations L Deng, K Miyatani, S Amma, M Suehara, M Ono, Y Yamamoto, S Urata, ... The Journal of Physical Chemistry C 123 (35), 21538-21547, 2019 | 38 | 2019 |
| A comparative study of the effectiveness of empirical potentials for molecular dynamics simulations of borosilicate glasses MI Tuheen, L Deng, J Du Journal of Non-Crystalline Solids 553, 120413, 2021 | 37 | 2021 |
| Structural features of sodium silicate glasses from Reactive Force Field based molecular dynamics simulations L Deng, S Urata, Y Takimoto, T Miyajima, SH Hahn, ACT van Duin, J Du Journal of the American Ceramic Society 103 (3), 1600-1614, 2020 | 36 | 2020 |
| Tomographic mapping of the nanoscale water-filled pore structure in corroded borosilicate glass DE Perea, DK Schreiber, JV Ryan, MG Wirth, L Deng, X Lu, J Du, ... npj Materials Degradation 4, 8, 2020 | 35 | 2020 |
| Predicting the dissolution rate of borosilicate glasses using QSPR analysis based on molecular dynamics simulations J Du, X Lu, S Gin, JM Delaye, L Deng, M Taron, N Bisbrouck, M Bauchy, ... Journal of the American Ceramic Society 104 (9), 4445-4458, 2021 | 33 | 2021 |
Jincheng DuUniversity Distinguished Professor of Materials Science and Engineering, University of North TexasBestätigte E-Mail-Adresse bei unt.edu
