Konu "High pressure" için Malzeme Bilimi ve Nanoteknoloji Mühendisliği Bölümü Koleksiyonu listeleme
Toplam kayıt 4, listelenen: 1-4
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Amorphous zircon at high pressure
(PERGAMON-ELSEVIER SCIENCE LTDTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND, 2021)The high-pressure behavior of a very low-density amorphous zircon model having Zr (Si) coordination of 5.6 (4.02) is explored by ab initio simulations. Two consecutive pressure-induced phase modifications are proposed for ... -
Extreme flexibility and unusual piezomechanical properties of zinc-alkyl-based metal-organic frameworks: A first principles study
(ELSEVIER, 2023)The behavior of three Zn-alkyl-based MOFs, ZnGA (Zn-Glutarate), ZnAA (Zn-Adipate), and ZAG-4 (Zinc Alky Gate), under hydrostatic compression has been investigated using first-principles DFT simulation, which has proven its ... -
Insights of CO2 adsorption performance of amine impregnated mesoporous silica (SBA-15) at wide range pressure and temperature conditions
(ELSEVIER SCI LTD, THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND, 2015)Beside IGCC, efficient storage and transportation of CO2 and other gases require pressurize conditions. CO2 and other gases adsorption on solid sorbents at high pressure and various temperatures are extremely important as ... -
Unveiling the multifaceted properties of a 3d covalent-organic framework: Pressure-induced phase transition, negative linear compressibility and auxeticity
(ELSEVIER, 2023)High-pressure behavior and mechanical properties of a three-dimensional covalent-organic framework (NPN-1) were investigated by using different types of first principles molecular simulations. An irreversible pressureinduced ...