. © 2015 Corning Incorporated.. Processing Glass Property Data with SciGlass Information System Alexander Priven Corning Korea * ITC is the name of the company who brought SciGlass to world scientists – including Corning

. © 2015 Corning Incorporated.. Introduction: What do we need when we “need glass”?

. © 2015 Corning Incorporated.. We do not need artificial objects themselves – ultimately we need only their functions just drill make hole in the wall picture on the wall tool function result What do we really need when we need “a drill”?

. © 2015 Corning Incorporated.. What does a customer need from glass? thermal & optical & mechanical optical optical & mechanical optical & mechanical & dielectric dielectric & thermal & mechanical chemical & thermal All what a customer needs from glass is combination of properties

. © 2015 Corning Incorporated.. What does a glass developer need from glass? All what a glass developer needs from glass is a chemical composition providing required properties

. © 2015 Corning Incorporated.. What does a glass scientist need from glass? All what a scientist needs from glass is the knowledge about composition – (structure) – property relationships

. © 2015 Corning Incorporated.. What SciGlass can do Usually, a database is considered as a tool for data search SciGlass is the world largest database of glass compositions and properties Also SciGlass can: validate the available data make the data visible predict the unknown data … and more, and more… SciGlass shows us the relationships between glass compositions and glass properties

. © 2015 Corning Incorporated.. SciGlass: search with confidence Basic options Visualization tools Property calculation Data validation Patent search

. © 2015 Corning Incorporated.. How SciGlass looks Extended data search options Multiple visualization tools Property prediction tools Indexes And many more tools…

. © 2015 Corning Incorporated.. Basic data search You specify composition and property requirements… Viscosity Density Thermal Mechanical Optical Etc. etc. …

. © 2015 Corning Incorporated.. Basic data search … get the results… By systems: > oxide > chalcogenide > halide

. © 2015 Corning Incorporated.. Basic data search … and look at a source data table. CompositionsProperties ReferenceExperimental details Kind of percent Unique ID of glass Unique ID of source data table By references: > refs > authors > patents >1100 trademarks

. © 2015 Corning Incorporated.. Unit conversion You can use convenient unit system.

. © 2015 Corning Incorporated.. Property calculation in SciGlass SciGlass Calculator: simplest tool that calculates a property of your glass from its chemical composition. Composition (user- defined or pasted from database) Property and method of calculation Result of calculation

. © 2015 Corning Incorporated.. Glass formation diagrams Using more than 4000 ternary diagrams of glass formation, a specialist can diminish the scale of experimental research required for developing new glass compositions.

. © 2015 Corning Incorporated.. Optical spectra Three versions of the same spectra > spectra 105 versions of spectral coordinates Absorption  transmission conversion Superposing spectra reported in different units

. © 2015 Corning Incorporated.. SciGlass: search with confidence Basic options Visualization tools Property calculation Data validation Patent search

. © 2015 Corning Incorporated.. Binary plot In binary systems, a user of SciGlass can find the data, plot a dependence of property on composition and approximate it with a polynomial.

. © 2015 Corning Incorporated.. Composition-to-property relationships Just specify components and a property and run the query...

. © 2015 Corning Incorporated.. Composition-to-property relationships … get the list of glasses…

. © 2015 Corning Incorporated.. Composition-to-property relationships … approximate the dependence with polynomial…

. © 2015 Corning Incorporated.. Composition-to-property relationships … and copy the formula to the Clipboard: E-02 *( x )^ E-01 *( x )^ E+00 *( x ) You can use this formula in your calculations – for example, to verify your own data.

. © 2015 Corning Incorporated.. Composition-to-property relationships Results of property calculation T g in chalcogenide system As-Se Calculations by author’s method Grouping by system

. © 2015 Corning Incorporated.. Ternary diagrams of properties Density of sodium borosilicate glasses experimental points. A user can specify three components, property and method of calculation. SciGlass program builds the diagram. Curves are results of calculations by the Priven2000 model Curves are results of polynomial approximation Thick lines are results of calculations by the Priven2000 model Thin lines are results of ploynomial extrapolation

. © 2015 Corning Incorporated.. Ternary diagrams of properties You can use the formula of polynomial in an external application, e.g. MS Excel.

. © 2015 Corning Incorporated.. Ternary diagrams of properties >100 property characteristics >100 methods of calculation Up to 70,000 experimental data points in a single diagram Unlimited number of components –oxide, chalcogenide, halide, mixed systems –Molecular, weight, atomic % Approximation with 1 to 6 order polynomials Use of polynomial formulas in your applications

. © 2015 Corning Incorporated.. SciGlass: search with confidence Basic options Visualization tools Property calculation Data validation Patent search

. © 2015 Corning Incorporated.. Property-to-property correlations Simplest way of calculation is the use of correlations. Correlations of glass properties with each other are important to know when developing new glass compositions with desired combination of properties. SciGlass allows easy visualization and approximation of such correlations.

. © 2015 Corning Incorporated.. Property-to-property correlations Some correlations are general enough. Click on an “outlier” gets an idea of compositions with unusual combinations of properties.

. © 2015 Corning Incorporated.. Property-to-property correlations Some other correlations may appear only in a specific composition area.

. © 2015 Corning Incorporated.. Property-to-property correlations In this composition area, it is difficult to increase thermal expansion coefficient without making the glass heavier. Use of property prediction models built in SciGlass can help to resolve the problem.

. © 2015 Corning Incorporated.. Property calculation in SciGlass How to reach this combination of properties?

. © 2015 Corning Incorporated.. Search for predicted properties Let us search for predicted property values! Any combinations of 64 oxides 55 property characteristics

. © 2015 Corning Incorporated.. Search for predicted properties Search results: 51 glass composition with prescribed combination of properties Prediction are made by using the method Priven ,000 oxide glasses with pre-calculated properties –Viscosity, density, optical, elastic, acoustical properties, thermal expansion, heat capacity, surface tension Quick search for any combination of these properties

. © 2015 Corning Incorporated.. Property calculation with SciGlass One click – and we see: How to synthesize this glass Reference to source document Information about known properties of the glass But… how reliable the calculations are? Let’s estimate the accuracy of predictions with SciGlass Premium.

. © 2015 Corning Incorporated.. SciGlass: search with confidence Basic options Visualization tools Property calculation Data validation Patent search

. © 2015 Corning Incorporated.. Validation of calculation results SciGlass Premium compares results of prediction –by multiple methods with experimental data –for multiple similar compositions Results of calculation: most probable property value confidence interval The feature is available in SciGlass Premium only. Algorithm of calculation is patented by ITC.

. © 2015 Corning Incorporated.. Validation of calculation results Confidence limits for CTE: 33 ± K -1 Density: 2.27 ± 0.06 g/cm 3

. © 2015 Corning Incorporated.. Data validation in SciGlass We found a really prospective glass composition. Asterisk specifies confidence limits for properties.

. © 2015 Corning Incorporated.. Validation of experimental data Asterisk specifies confidence limits for properties. But what about experimental data points with unusual combinations of properties? Not always these data are correct… Let’s validate an experimental data point.

. © 2015 Corning Incorporated.. Validation of experimental data Coefficient of thermal expansion is exact…

. © 2015 Corning Incorporated.. Validation with SciGlass Premium … but density value seems to be wrong – let’s check more…

. © 2015 Corning Incorporated.. Search for similar compositions A special query returns the data about the same property for glasses with closest compositions. Density value does not consist with alternative data.

. © 2015 Corning Incorporated.. Comparison with calculation results Reported value: 2.31 g/cm 3 Calculation results: 2.76 to 2.88 g/cm 3 Alternative measurement: 2.76 g/cm 3 9 independent calculation methods and one alternative measurements give similar results. Thus, the reported date is not correct. Also, reported value does not consist with the results of calculations… Use of SciGlass might preserve the authors from publishing erroneous data.

. © 2015 Corning Incorporated.. Property calculation: Summary Prediction of multiple properties including: –viscosity –density –thermal properties –electrical properties –elastic & acoustical properties –etc calculation methods Oxide, fluoride, chalcogenide glasses Calculations available in plots and diagrams The most general calculation methods are available in SciGlass only

. © 2015 Corning Incorporated.. SciGlass: search with confidence Basic options Visualization tools Property calculation Data validation Patent search

. © 2015 Corning Incorporated.. Prior art analysis This table presents the first claim of a real patent with priority date after Patent analysis of glass compositions is not an easy task. Often patent offices grant a patent for already known compositions. How to find prior art for such patents?

. © 2015 Corning Incorporated.. Prior art analysis Just to specify the claimed limits in Search for Glasses query, and get a table of prior art. 25 compositions are found, most of them being published before 2005.

. © 2015 Corning Incorporated.. Prior art analysis This and other data sources were omitted by the patent office… … but the claimed composition was known almost 20 years before being patented!

. © 2015 Corning Incorporated.. Prior art analysis Here are only 2 of ~20 contesting examples taken from 8 prior publications. OxideCompared patentPrior art Kuznetsova (1988)Paulson, US (2004) MinMaxFact SiO Al 2 O B2O3B2O MgO0300 CaO SrO01000 BaO0100 ZnO

. © 2015 Corning Incorporated.. SciGlass today CharacteristicsNumber Total number of glasses> Patent sources> Ternary diagrams of glass formation>4000 Spectral curves> Prof. Oleg Mazurin and his colleagues started this work in 1960 th. After half a century, we have the world largest collection of glass property data.

. © 2015 Corning Incorporated.. Summary: Why we use SciGlass? What SciGlass can do: Data search Visualization (tables, plots, diagrams) Unit conversion Property prediction Importation of user’s data Exportation of data and graphs to external applications What we can do with SciGlass: Get more information Make information clear Verify the data Predict unknown property values Find new dependences What we want from SciGlass: Find prior art Find prospective compositions Get an idea of improvement of glass compositions SciGlass: search with confidence!

. © 2015 Corning Incorporated.. Processing Glass Property Data with SciGlass Information System Alexander PRIVEN