Prediction of flexoelectricity in BaTiO 3 using molecular dynamics simulations Zilin Wang(王梓霖), Liang Yang(杨亮), Changsheng Liu(刘长生), and Shiwei Lin(林仕伟). B, 2023, 32(2): 020206.įormation of nanobubbles generated by hydrate decomposition: A molecular dynamics study Molecular dynamics study of interactions between edge dislocation and irradiation-induced defects in Fe–10Ni–20Cr alloy Micka U, Holm C and Kremer K 1999 Langmuir 15 4033Ĭao Q Q, Zuo C C, He H W and Li L J 2009 Macromol. Weir M P, Heriot S Y, Martin S J, Parnell A J, Holt S A, Webster J R P and Jones R A L 2011 Langmuir 27 11000 ![]() Merlitz H, Li C, Wu C X and Sommer J U 2015 Soft Matter 11 5688 Ho Y F, Shendruk T N, Slater G W and Hsiao P Y 2013 Langmuir 29 2359 Ouyang H, Xia Z H and Zhe J 2009 Nanotechnology 20 195703 95 48003Ĭao Q Q, Zuo C C, Li L J and Yan G 2011 Biomicrofluidics 5 044119 Tsori Y, Andelman D and Joanny J F 2008 Europhys. ![]() Wu J M, Zhao S, Gao L, Wu J Z and Gao D 2013 J. Zhao S L, Wu J M, Gao D and Wu J Z 2011 J. Wu J M, Zhao S, Gao L, Wu J Z and Gao D 2011 Lab Chip. Guptha V S and Hsiao P Y 2014 Polymer 55 2900 Ibergay C, Malfreyt P and Tildesley D J 2010 J. He S Z, Merlitz H, Chen L, Sommer J U and Wu C X 2010 Macro- molecules 43 7845 Ou Y P, Sokoloff J B and Stevens M J 2012 Phys. Russano D, Carrillo J M Y and Dobrynin A V 2001 Langmuir. Zhulina E B, Birshtein T M and Borisov O V 1995 Macromolecules 28 1491 Israels R, Leermaker F A M, Fleer G J and Zhulina E B 1994 Macro-molecules 27 3249 198 149īorisov O V, Zhulina E B and Birshtein T M 1994 Macromolecules 27 4795 Halperin A, Tirrell M and Lodge T P 1992 Adv. Napper D H 1983 Polymeric stabilization of colloidal dispersions (London: Academic Press) Vol. 21374052).įen Zhang(张芬), Huan-Da Ding(丁欢达), Chao Duan(段超), Shuang-Liang Zhao(赵双良), Chao-Hui Tong(童朝晖) Molecular dynamics simulation of the response of bi-disperse polyelectrolyte brushes to external electric fields 2017 Chin. Project supported by the National Natural Science Foundation of China (Grant No. (Molecule transport characteristics molecular dynamics electronic structure of polymers) Keywords: polyelectrolyte brushes electric fields polydispersity molecular dynamics The effects of smeared and discrete charge distributions of grafted PE chains on the response of PE brushes to external electric fields were also examined. It was found that, under a positive external electric field, the magnitude of the total electric force acting on one shorter PE chain is larger than that on one longer PE chain, or vice versa. ![]() ![]() Whereas under a positive external electric field, the grafted shorter chains collapse more significantly than the longer ones. Simulation results clearly show that, under a negative external electric field, the longer grafted PE chains are more strongly stretched than the shorter ones in terms of the relative change in their respective brush heights. Langevin dynamics simulations have been performed to investigate the response of bi-disperse and strong polyacid chains grafted on an electrode to electric fields generated by opposite surface charges on the polyelectrolyte (PE)-grafted electrode and a second parallel electrode.
0 Comments
Leave a Reply. |
AuthorWrite something about yourself. No need to be fancy, just an overview. ArchivesCategories |