| عنوان فارسی مقاله: | محاسبه انرژی های سطحی در مدل بار نقطه ای الکترواستاتیک: II . کاربرد در زیرکون |
| عنوان انگلیسی مقاله: |
Computation of Surface Energies in an Electrostatic Point Charge Model: II. Application to Zircon (ZrSiO4) |
چکیده
معرفی
آنالیز PBC
پیوندهای قوی
نتایج کیفی
انرژی های پیوستگی
مدل ها
انرژی های زنجیره ای
شکل های رشد نظری
بحث
مورفولوژی زیرکون طبیعی
نقش پیوندهای هیدروژنی در زیرکون
ADP
نتایج
کلمات کلیدی :
Clay Surfaces: Fundamentals and Applicationshttps://books.google.com/books?isbn=0080472265Fernando Wypych - 2004 - ScienceThis knowledge enables the calculation of a vast range of properties, which can be ... which are composed of layers, it is possible to compute the surface energy by ... Obviously, this approach is valid if electrostatic forces, which depend on the ...[PDF]Computation Model Of Electrostatic Spraying In ... - De Atleetfabriekenergietest.deatleetfabriek.nl/computation_model_of_electrostatic_spraying_in_agric...Need to access completely for Ebook PDF computation model of electrostatic ... computation of surface energies in an electrostatic point charge model: ii.Molecular Modeling for the Design of Novel Performance Chemicals and ...https://books.google.com/books?isbn=1439840792Beena Rai - 2012 - Sciencewhere Eij is the bond dissociation energy, r0,ij is the equilibrium bond ... 3.2.4 calculatIon of surface energy Static lattice energy minimizations have been used ...HF and DFT calculations of MgO surface energy and electrostatic ...onlinelibrary.wiley.com/doi/10.1002/qua.20188/pdfby RA Evarestov - 2004 - Cited by 21 - Related articlesJun 28, 2004 - Key words: surface energy; electrostatic potential; crystalline oxides; slab model; periodic DFT ... the DFT calculations are usually made with the.