Matches in SemOpenAlex for { <https://semopenalex.org/work/W2892058108> ?p ?o ?g. }
- W2892058108 endingPage "2505" @default.
- W2892058108 startingPage "2482" @default.
- W2892058108 abstract "Abstract Molecular dynamics and related atomistic computer simulations are effective ways in studying the structures and structure–property relations of glass materials. However, simulations of boron oxide (B 2 O 3 )‐containing oxide glasses pose a challenge due to the lack of reliable empirical potentials. This paper reports development of a set of partial charge pairwise composition‐dependent potentials for boron‐related interactions that enable simulations of multicomponent borosilicate glasses, together with some of the existing parameters. This set of potentials was tested in sodium borate glasses and sodium borosilicate glasses and it is shown capable to describe boron coordination change with glass composition in wide composition ranges. Structure features such as boron N 4 value, density, Q n species distribution, fraction of non‐bridging oxygen around boron and silicon, total correlation function, and bond angle distribution function were calculated and compared with available experimental data. Mechanical properties of the simulated glasses calculated with the new potential also show good agreement with experiments. Therefore, this new set of potential can be used to simulate boron oxide‐containing multicomponent glasses including those with wide industrial and technology applications." @default.
- W2892058108 created "2018-09-27" @default.
- W2892058108 creator A5004364689 @default.
- W2892058108 creator A5039469861 @default.
- W2892058108 date "2018-10-08" @default.
- W2892058108 modified "2023-10-11" @default.
- W2892058108 title "Development of boron oxide potentials for computer simulations of multicomponent oxide glasses" @default.
- W2892058108 cites W1456246910 @default.
- W2892058108 cites W1963699022 @default.
- W2892058108 cites W1970589483 @default.
- W2892058108 cites W1972674063 @default.
- W2892058108 cites W1973779645 @default.
- W2892058108 cites W1977474407 @default.
- W2892058108 cites W1979523102 @default.
- W2892058108 cites W1980310511 @default.
- W2892058108 cites W1983046397 @default.
- W2892058108 cites W1984003326 @default.
- W2892058108 cites W1995559770 @default.
- W2892058108 cites W1996615093 @default.
- W2892058108 cites W1997304379 @default.
- W2892058108 cites W2002403064 @default.
- W2892058108 cites W2002824014 @default.
- W2892058108 cites W2004740744 @default.
- W2892058108 cites W2005110027 @default.
- W2892058108 cites W2006576711 @default.
- W2892058108 cites W2008330590 @default.
- W2892058108 cites W2013361993 @default.
- W2892058108 cites W2017790468 @default.
- W2892058108 cites W2019008949 @default.
- W2892058108 cites W2019465613 @default.
- W2892058108 cites W2021026339 @default.
- W2892058108 cites W2023082463 @default.
- W2892058108 cites W2027157747 @default.
- W2892058108 cites W2028195856 @default.
- W2892058108 cites W2028978294 @default.
- W2892058108 cites W2029417796 @default.
- W2892058108 cites W2031280160 @default.
- W2892058108 cites W2033474779 @default.
- W2892058108 cites W2036704806 @default.
- W2892058108 cites W2039669863 @default.
- W2892058108 cites W2041932608 @default.
- W2892058108 cites W2042266158 @default.
- W2892058108 cites W2043201565 @default.
- W2892058108 cites W2056088921 @default.
- W2892058108 cites W2057502998 @default.
- W2892058108 cites W2057755048 @default.
- W2892058108 cites W2062594394 @default.
- W2892058108 cites W2065822546 @default.
- W2892058108 cites W2067578800 @default.
- W2892058108 cites W2072689965 @default.
- W2892058108 cites W2076552814 @default.
- W2892058108 cites W2079209912 @default.
- W2892058108 cites W2084010897 @default.
- W2892058108 cites W2088655506 @default.
- W2892058108 cites W2089094166 @default.
- W2892058108 cites W2092391643 @default.
- W2892058108 cites W2094109729 @default.
- W2892058108 cites W2094341584 @default.
- W2892058108 cites W2095516397 @default.
- W2892058108 cites W2108824244 @default.
- W2892058108 cites W2114200005 @default.
- W2892058108 cites W2134644154 @default.
- W2892058108 cites W2137268018 @default.
- W2892058108 cites W2139531945 @default.
- W2892058108 cites W2149312110 @default.
- W2892058108 cites W2154859979 @default.
- W2892058108 cites W2318323409 @default.
- W2892058108 cites W2327459352 @default.
- W2892058108 cites W2346550994 @default.
- W2892058108 cites W2532418874 @default.
- W2892058108 cites W2533190337 @default.
- W2892058108 cites W2586896131 @default.
- W2892058108 cites W2598936251 @default.
- W2892058108 cites W2753546729 @default.
- W2892058108 cites W2761544633 @default.
- W2892058108 cites W2770436043 @default.
- W2892058108 cites W2779284481 @default.
- W2892058108 cites W2782743074 @default.
- W2892058108 cites W2786775383 @default.
- W2892058108 cites W2800187436 @default.
- W2892058108 cites W2800396656 @default.
- W2892058108 cites W2809148743 @default.
- W2892058108 cites W2883419139 @default.
- W2892058108 cites W4211243352 @default.
- W2892058108 cites W4248689598 @default.
- W2892058108 cites W797813690 @default.
- W2892058108 doi "https://doi.org/10.1111/jace.16082" @default.
- W2892058108 hasPublicationYear "2018" @default.
- W2892058108 type Work @default.
- W2892058108 sameAs 2892058108 @default.
- W2892058108 citedByCount "105" @default.
- W2892058108 countsByYear W28920581082019 @default.
- W2892058108 countsByYear W28920581082020 @default.
- W2892058108 countsByYear W28920581082021 @default.
- W2892058108 countsByYear W28920581082022 @default.
- W2892058108 countsByYear W28920581082023 @default.
- W2892058108 crossrefType "journal-article" @default.
- W2892058108 hasAuthorship W2892058108A5004364689 @default.