FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2955163009> ?p ?o ?g. }

• W2955163009 endingPage "6302" @default.
• W2955163009 startingPage "6290" @default.
• W2955163009 abstract "Selection of suitable glass composition for vitrification of high-level radioactive wastes (HLWs) is one of the major challenges in nuclear waste reprocessing. Atomic and molecular level understanding of various structural, thermodynamical, and dynamical properties of a glass matrix can help in preliminary screening and thus reduce the dependency to some extent on tedious experimental procedures. In that context, extensive molecular dynamics (MD) simulations have been performed to calculate various microscopic properties of the glass matrix. The present article demonstrates that the “Buckingham potential-included long-ranged Coulomb interaction” can be utilized to simulate the glasses of varied compositions. The proposed simulation model has been validated for a wide range of glass compositions: pure glass matrix—SiO2 and B2O3; binary glass mixtures—SiO2–B2O3, Na2O–SiO2, and Na2O–B2O3; ternary glass—Na2O–SiO2–B2O3; and also the Cs2O- and SrO-doped matrix of sodium borosilicate. Most importantly, the MD results have been validated with those of in-house synthesized glasses. The effect of alkali addition on the density and network connectivity of the glass matrix has been explored. The results capture well the boron anomalies for varied concentrations of network formers and network modifiers. The intermediate structural ordering in glasses has been explored by calculating the partial and total structure factors. Further, the characteristic vibration density of states of constituent atoms in the glass matrix is determined. In addition, the glass structures with the addition of dopant oxides Cs2O and SrO have been examined as they are known to be prime heat-generating agents in HLWs. The results establish the structure and dynamics of the doped glass matrix to be a complex nature of the dopant’s mass, concentration, charge, and ionic radius. The present MD results might be of great academic and technological significance for further studies in the field of vitrification and prediction of effects associated with the dopant’s nature and concentration." @default.
• W2955163009 created "2019-07-12" @default.
• W2955163009 creator A5001414244 @default.
• W2955163009 creator A5002427878 @default.
• W2955163009 creator A5015216984 @default.
• W2955163009 creator A5020649625 @default.
• W2955163009 creator A5057625307 @default.
• W2955163009 creator A5062248941 @default.
• W2955163009 creator A5068157590 @default.
• W2955163009 creator A5088768018 @default.
• W2955163009 creator A5088881063 @default.
• W2955163009 date "2019-06-27" @default.
• W2955163009 modified "2023-10-14" @default.
• W2955163009 title "Molecular Dynamics Simulation of Amorphous SiO₂, B₂O₃, Na₂O–SiO₂, Na₂O–B₂O₃, and Na₂O–B₂O₃–SiO₂ Glasses with Variable Compositions and with Cs₂O and SrO Dopants" @default.
• W2955163009 cites W1518219215 @default.
• W2955163009 cites W1911970129 @default.
• W2955163009 cites W1967158387 @default.
• W2955163009 cites W1972085247 @default.
• W2955163009 cites W1972674063 @default.
• W2955163009 cites W1978061808 @default.
• W2955163009 cites W1993206463 @default.
• W2955163009 cites W1996776129 @default.
• W2955163009 cites W2003949305 @default.
• W2955163009 cites W2005280518 @default.
• W2955163009 cites W2013361993 @default.
• W2955163009 cites W2015533832 @default.
• W2955163009 cites W2019465613 @default.
• W2955163009 cites W2020682222 @default.
• W2955163009 cites W2023082463 @default.
• W2955163009 cites W2026743805 @default.
• W2955163009 cites W2029667189 @default.
• W2955163009 cites W2030158025 @default.
• W2955163009 cites W2031184230 @default.
• W2955163009 cites W2041902442 @default.
• W2955163009 cites W2047713790 @default.
• W2955163009 cites W2049124012 @default.
• W2955163009 cites W2057794532 @default.
• W2955163009 cites W2058933079 @default.
• W2955163009 cites W2060147124 @default.
• W2955163009 cites W2064851844 @default.
• W2955163009 cites W2068498747 @default.
• W2955163009 cites W2068644218 @default.
• W2955163009 cites W2072680755 @default.
• W2955163009 cites W2075545717 @default.
• W2955163009 cites W2077763518 @default.
• W2955163009 cites W2079235914 @default.
• W2955163009 cites W2082575608 @default.
• W2955163009 cites W2084842628 @default.
• W2955163009 cites W2086816538 @default.
• W2955163009 cites W2092391643 @default.
• W2955163009 cites W2094004690 @default.
• W2955163009 cites W2094875887 @default.
• W2955163009 cites W2095174210 @default.
• W2955163009 cites W2155626580 @default.
• W2955163009 cites W2318323409 @default.
• W2955163009 cites W2322829967 @default.
• W2955163009 cites W2327459352 @default.
• W2955163009 cites W2738227912 @default.
• W2955163009 cites W2750099968 @default.
• W2955163009 cites W2773820756 @default.
• W2955163009 cites W2779284481 @default.
• W2955163009 cites W2807178525 @default.
• W2955163009 cites W4248689598 @default.
• W2955163009 cites W4249592897 @default.
• W2955163009 cites W602551192 @default.
• W2955163009 cites W797813690 @default.
• W2955163009 doi "https://doi.org/10.1021/acs.jpcb.9b03026" @default.
• W2955163009 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/31247137" @default.
• W2955163009 hasPublicationYear "2019" @default.
• W2955163009 type Work @default.
• W2955163009 sameAs 2955163009 @default.
• W2955163009 citedByCount "13" @default.
• W2955163009 countsByYear W29551630092021 @default.
• W2955163009 countsByYear W29551630092022 @default.
• W2955163009 countsByYear W29551630092023 @default.
• W2955163009 crossrefType "journal-article" @default.
• W2955163009 hasAuthorship W2955163009A5001414244 @default.
• W2955163009 hasAuthorship W2955163009A5002427878 @default.
• W2955163009 hasAuthorship W2955163009A5015216984 @default.
• W2955163009 hasAuthorship W2955163009A5020649625 @default.
• W2955163009 hasAuthorship W2955163009A5057625307 @default.
• W2955163009 hasAuthorship W2955163009A5062248941 @default.
• W2955163009 hasAuthorship W2955163009A5068157590 @default.
• W2955163009 hasAuthorship W2955163009A5088768018 @default.
• W2955163009 hasAuthorship W2955163009A5088881063 @default.
• W2955163009 hasConcept C106487976 @default.
• W2955163009 hasConcept C115624301 @default.
• W2955163009 hasConcept C121332964 @default.
• W2955163009 hasConcept C122865956 @default.
• W2955163009 hasConcept C147597530 @default.
• W2955163009 hasConcept C151730666 @default.
• W2955163009 hasConcept C159985019 @default.
• W2955163009 hasConcept C178790620 @default.
• W2955163009 hasConcept C185544564 @default.
• W2955163009 hasConcept C185592680 @default.
• W2955163009 hasConcept C191952053 @default.
• W2955163009 hasConcept C192562407 @default.
• W2955163009 hasConcept C199360897 @default.

• next