Preparation and Reactivity of Gasless Nanostructured Energetic Materials

Multimillion Atom Reactive Simulations of Nanostructured Energetic Materials

For large-scale atomistic simulations involving chemical reactions to study nanostructured energeticmaterials, we have designed linear-scaling molecular dynamics algorithms: 1) first-principles-based fast reactive force field molecular dynamics, and 2) embedded divide-and-conquer density functional theory on adaptive multigrids for quantum-mechanical molecular dynamics. These algorithms have ac...

Nanostructured Materials, and Nanodevices

morphology, geochemistry, mineralogy, and micromorphology of soils of hormozgan province in relation to parent materials

ویژگی های زمین شیمیایی، کانی شناسی، و میکرومورفولوژیکی خاک ها و سنگ مادر مربوطه در منطقه بین بخش های جنوبی زاگرس و خلیج فارس تا دریای عمان(استان هرمزگان، ایران) مورد بررسی قرار گرفت. هدف های این مطالعه شناسایی تغییرات در خصوصیات فیزیکی، شیمیایی، و ترکیب کانی شناسی خاک، مطالعه میکرومورفولوژی و تکامل خاک، و بررسی توزیع عنصر خاک بر اساس هوازدگی، پروسه های خاک و زمین شناسی جهت توصیف اثرات مواد مادر...

exploring motivation and english test preparation strategies of iranian pre-university candidates during and at the end of test preparation period for konkur examination

the current study aimed at investigating the relationship between motivation and test preparation strategies (tpss) used by iranian pre-university students in their preparation period for the university entrance exam (uee). due to the importance of uee in iran, this study also attempted to show its impact on these two important variables. to this end, 100 pre-university students in an iranian p...

Design and Preparation of Nanostructured Tio2 Materials by Using Supercritical Co2 Silanization, and Post-functionalization

The present work presents the latest advances for the modification of TiO2 surfaces by their functionalization with complex organic molecules through a scCO2 strategy. Two strategies were followed: the first strategy involved the deposition under anhydrous conditions onto the TiO2 surface of laboratory prepared silane containing nitro-phenyl and nitro-formyl groups, leading to the products desi...