Composition-structure-property relation of oxide glasses: insight from an extended topological approach

Publikation: Bog/antologi/afhandling/rapportPh.d.-afhandlingForskning

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Resumé

The composition of glass can be varied continuously within their glass-forming
regions. This compositional flexibility makes it possible to tailor the
properties of a glass for a variety of specific uses. In the industry such tailoring
is done on a trial-and-error basis with only the intuition of a glass scientist
to suggest a way forward.
To a first approximation the intuition of the glass scientist boils down to two
ideas: First, a higher degree of polymerization causes an increase in physical
properties such as the glass transition temperature and hardness. Second, a
higher oxygen bond strength also increases such properties. Yet, these rules
are not strictly followed even for the simplest binary oxide glasses, such as
alkali silicates, borates and phosphates.
In this thesis it is argued that the missing link between composition and properties
is the glass structure. Structural models are proposed based on topological
selection rules and experimentally verified. The relation between structure
and properties is evaluated using topological constraint theory, which in
its essence is a theory that quantifies the two intuitions of the glass scientist.
The end result is a quantitative model capable of ab initio prediction of the
oxide glass properties from composition.
OriginalsprogEngelsk
Udgivelses stedAalborg
ForlagAalborg Universitetsforlag
Antal sider188
ISBN (Trykt)978-87-7112-205-3
DOI
StatusUdgivet - 2014
NavnPh.d.-serien for Det Teknisk-Naturvidenskabelige Fakultet, Aalborg Universitet
ISSN2246-1248

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oxides
glass
theses
borates
glass transition temperature
silicates
phosphates
flexibility
hardness
polymerization
industries
causes
oxygen
predictions
approximation

Citer dette

Hermansen, C. (2014). Composition-structure-property relation of oxide glasses: insight from an extended topological approach. Aalborg: Aalborg Universitetsforlag. Ph.d.-serien for Det Teknisk-Naturvidenskabelige Fakultet, Aalborg Universitet https://doi.org/10.5278/vbn.phd.engsci.00014
Hermansen, Christian. / Composition-structure-property relation of oxide glasses : insight from an extended topological approach. Aalborg : Aalborg Universitetsforlag, 2014. 188 s. (Ph.d.-serien for Det Teknisk-Naturvidenskabelige Fakultet, Aalborg Universitet).
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abstract = "The composition of glass can be varied continuously within their glass-formingregions. This compositional flexibility makes it possible to tailor theproperties of a glass for a variety of specific uses. In the industry such tailoringis done on a trial-and-error basis with only the intuition of a glass scientistto suggest a way forward.To a first approximation the intuition of the glass scientist boils down to twoideas: First, a higher degree of polymerization causes an increase in physicalproperties such as the glass transition temperature and hardness. Second, ahigher oxygen bond strength also increases such properties. Yet, these rulesare not strictly followed even for the simplest binary oxide glasses, such asalkali silicates, borates and phosphates.In this thesis it is argued that the missing link between composition and propertiesis the glass structure. Structural models are proposed based on topologicalselection rules and experimentally verified. The relation between structureand properties is evaluated using topological constraint theory, which inits essence is a theory that quantifies the two intuitions of the glass scientist.The end result is a quantitative model capable of ab initio prediction of theoxide glass properties from composition.",
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Hermansen, C 2014, Composition-structure-property relation of oxide glasses: insight from an extended topological approach. Ph.d.-serien for Det Teknisk-Naturvidenskabelige Fakultet, Aalborg Universitet, Aalborg Universitetsforlag, Aalborg. https://doi.org/10.5278/vbn.phd.engsci.00014

Composition-structure-property relation of oxide glasses : insight from an extended topological approach. / Hermansen, Christian.

Aalborg : Aalborg Universitetsforlag, 2014. 188 s.

Publikation: Bog/antologi/afhandling/rapportPh.d.-afhandlingForskning

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T2 - insight from an extended topological approach

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N2 - The composition of glass can be varied continuously within their glass-formingregions. This compositional flexibility makes it possible to tailor theproperties of a glass for a variety of specific uses. In the industry such tailoringis done on a trial-and-error basis with only the intuition of a glass scientistto suggest a way forward.To a first approximation the intuition of the glass scientist boils down to twoideas: First, a higher degree of polymerization causes an increase in physicalproperties such as the glass transition temperature and hardness. Second, ahigher oxygen bond strength also increases such properties. Yet, these rulesare not strictly followed even for the simplest binary oxide glasses, such asalkali silicates, borates and phosphates.In this thesis it is argued that the missing link between composition and propertiesis the glass structure. Structural models are proposed based on topologicalselection rules and experimentally verified. The relation between structureand properties is evaluated using topological constraint theory, which inits essence is a theory that quantifies the two intuitions of the glass scientist.The end result is a quantitative model capable of ab initio prediction of theoxide glass properties from composition.

AB - The composition of glass can be varied continuously within their glass-formingregions. This compositional flexibility makes it possible to tailor theproperties of a glass for a variety of specific uses. In the industry such tailoringis done on a trial-and-error basis with only the intuition of a glass scientistto suggest a way forward.To a first approximation the intuition of the glass scientist boils down to twoideas: First, a higher degree of polymerization causes an increase in physicalproperties such as the glass transition temperature and hardness. Second, ahigher oxygen bond strength also increases such properties. Yet, these rulesare not strictly followed even for the simplest binary oxide glasses, such asalkali silicates, borates and phosphates.In this thesis it is argued that the missing link between composition and propertiesis the glass structure. Structural models are proposed based on topologicalselection rules and experimentally verified. The relation between structureand properties is evaluated using topological constraint theory, which inits essence is a theory that quantifies the two intuitions of the glass scientist.The end result is a quantitative model capable of ab initio prediction of theoxide glass properties from composition.

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Hermansen C. Composition-structure-property relation of oxide glasses: insight from an extended topological approach. Aalborg: Aalborg Universitetsforlag, 2014. 188 s. (Ph.d.-serien for Det Teknisk-Naturvidenskabelige Fakultet, Aalborg Universitet). https://doi.org/10.5278/vbn.phd.engsci.00014