Shanxay instituti optika va aniqlik texnikasi (SIPM) make progress in studying The Structure And Properties of Alyuminiy Fosfat shisha

Yaqinda, a team of tadqiqotchi Lili Hu dan laboratoriya of High Power Laser Unit Technology, Shanghai Institute of Optika va Precision Machinery (SIPM), Xitoy akademiyasi of Sciences (CAS), adopt a usuli birlashtiruvchi tajribalar, molekulyar dinamika simulyatsiyalar, va miqdoriy tuzilishi-xossalari munosabatlari (QSPR) tahlil to o'rganish uchun o'rganish alyuminiy fosfat ko'zoynak, va the bilan bog'liq tadqiqot natijalari e'lon qilindi the ichida chop etildi Jurnal the American Ceramic Journal of the American Ceramic Society.)
% 0aAgarently, alyuminiy fosfat ko'zoynak lar mavjud a keng doira of dasturlar ko'p sohalarda, shu jumladan biomedikal materiallar, optik komponentlar, sealing materiallari va yadro chiqindilar curing. The the short-range structure of alumin fosfat ko'zoynak o'rgan qilingan ko'proq yo'l yo bilan tajriba texnikasi vositalari 2c lekin orasidagi munosabat uning xossalari va o rta masofa tuzilishi hali aniq emas. Va molekulyar dinamiklar simulyatsiyalar bo'ldi uchun an samarali vosita uchun o'rganish, an ortib borayotgan muhim rol in ning oshkor lanishi ning struktura kelib chiqishi shisha xossalari.
In this study, the researchers combined experimental and molecular dynamics simulation methods to investigate the effect of Al2O3 on the short-range and mid-range structures of aluminum phosphate glasses, and modeled their structural properties by the QSPR method. The accuracy of the simulation was verified by Raman, synchrotron radiation and other experimental results. The simulation results show that the P-O-P bonds present in the glass network are gradually replaced by P-O-Al bonds with the change of Al2O3 content, which plays an important role in the change of glass properties. Meanwhile, the long chains in the aluminum phosphate glasses are prone to form cyclic structures and are concentrated in the 4- to 20-membered rings. In addition, three different structural descriptors are utilized to model the QSPR and successfully correlate the experimental data with the simulation results, showing good model predictability. This method provides new ideas for predicting glass properties and designing glass components.
Progress of Shanghai Institute of Optika in studying the structure and properties of alyuminiy fosfat glasses
Fig. 1 Quantitative structure-property relationship model by using (a) coordination number (CN), (b) Qn, and c) ring size of aluminum fosfat ko'zoynak as struktur inp taut. Dan chap o'ngga 2c the structure descriptor Fnet ko'rsatilgan as a funktsiya of tajriba zichligi, qattiqlik, qattiqligi, shisha o'tish harorati, va koeffitsient of termik kengayish, mos ravishda.