Processing Glass Property Data With Sciglass Information System

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

.
What SciGlass can do
Usually, a database is Also SciGlass can:
considered as a tool for
data search. • validate the found data
SciGlass is the world • make the data visible

largest database of
glass properties. • predict the unknown data
• … and more, and more, that the

SciGlass can do.

.
SciGlass: search with confidence
• Basic options
• Visualization tools
• Property calculation
• Data validation
• Patent search

.
How SciGlass looks
• Extended data
search options
• Multiple
visualization tools
• Property prediction
tools
• Indexes
• And many more

tools…

.
Basic data search
You specify
composition
and property
requirements…
• Viscosity
• Density
• Thermal
• Mechanical
• Optical
• Etc. etc. …
.

.
Basic data search
… get the
results…
By systems:
>270 000 oxide
>35 000
chalcogenide
>16 000 halide
.

.
Basic data search
… and look at Experimental details Reference
a source data Unique ID of

table. source data table
Kind of percent
By references:
>40 000 refs Unique ID of glass
>25 000 authors
>18 000 patents
>1100 trademarks
Compositions Properties

.
Unit conversion
You can use
convenient
unit system.

.
Input of user’s data
A SciGlass user can
import his/her own
data into the
database.
The user’s data are

processed in the
same manner as the
SciGlass data.

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

of calculation

.
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.

.
Optical spectra
Three versions of the same spectra
 > 20 000 spectra

 105 versions of spectral coordinates
 Absorption  transmission conversion
 Superposing spectra reported in different units
.

.
• Basic options
• Data validation
• Patent search

.
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.

.
Composition-to-property relationships
Just specify
components
and a
property and
run the
query...

.
… get the list
of glasses…

.
… approximate
the dependence
with polynomial…

.
… and copy the
formula to the
Clipboard:
-2.6293E-02 *( x -27.567)^3 -
1.5644E-01 *( x -27.567)^2 -
8.9629E+00 *( x -27.567)
+1189.7
You can use this formula

in your calculations –
for example, to verify
your own data.

.
Results of property
calculation
Tg in chalcogenide system As-Se

Grouping by system
Calculations by author’s method
.

.
Ternary diagrams of properties
A user can specify
three components,
property and method
of calculation.
SciGlass program
builds the diagram.
Density of sodium
borosilicate glasses.
2675 experimental points.
Thick
Curves lines
are are results
results of of
calculations by the
Priven2000 model
Curves are results of
polynomial
Thin lines are results of
approximation
ploynomial extrapolation

.
You can use the formula of polynomial in an external

application, e.g. MS Excel.
.

.
Is it for simple
system only? –
No!
Let’s try to plot 5-
component
system:
Na2O-K2O-Al2O3-
B2O3-SiO2…
… and we can see

the dependence…
.

.
… and you are also able to use the formula in your applications.
.

.
Too much closely
spaced points?
Use Zoom option!
To see the glass
composition just
click on the plot.

.
• >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

.

.
• Basic options
• Data validation
• Patent search

.
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.

.
Some correlations are general enough.
Click on an “outlier” gets an idea of compositions

with unusual combinations of properties.
.

.
Some other
correlations may
appear only in a
specific
composition
area.

.
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.

.
How to reach this
combination of
properties?

.
Search for predicted properties
Let us search for
predicted
property values!
Any
combinations of
•64 oxides
•55 property
characteristics

.
Search for predicted properties
Search results:
51 glass
composition with
prescribed
combination of
properties
Prediction are made by using the method Priven-2000
• 270,000 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
.

.
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.

.
• Basic options
• Data validation
• Patent search

.
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.

.
Validation of calculation results
Confidence limits for CTE: 33 ± 6 . 10-7 K-1 Density: 2.27 ± 0.06 g/cm3
.

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

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

.
Validation of experimental data
51
50
49 Reported value
Confidence
-1
*10 , K
48 limits (95%)
7
Most
probable
47
value
46
45
Coefficient of thermal expansion

is exact…

.
Validation with SciGlass Premium
… but density value seems to be

wrong – let’s check more…

.
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.

.
Comparison with calculation results
Also, reported value does not consist with the results of calculations…
Reported value: 2.31 g/cm3

Calculation results: 2.76 to 2.88 g/cm3
Alternative measurement: 2.76 g/cm3
9 independent calculation methods and one

alternative measurements give similar
results.
Thus, the reported date is not correct.
Use of SciGlass might

preserve the authors from
publishing erroneous data.
.

.
Property calculation: Summary
• Prediction of multiple properties including:
– viscosity
– density
– thermal properties
– electrical properties
– elastic & acoustical properties
– etc.
• 100+ calculation methods
• Oxide, fluoride, chalcogenide glasses
• Calculations available in plots and

diagrams
• The most general calculation methods are

available in SciGlass only

.
• Basic options
• Data validation
• Patent search
• Forecasting

.
Prior art analysis
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 This table presents the
first claim of a real patent
such patents? with priority date after
2005.

.
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.
.

.
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!

.
Prior art analysis
Here are only 2 of ~20 contesting examples taken from 8 prior publications.
Oxide Compared patent Prior art
Kuznetsova (1988) Paulson, US2004043887
(2004)
Min Max Fact Fact

SiO2 50 70 60.01 68.94
Al2O3 10 20 17.23 13.58
B2O3 8 12 10.70 8.62
MgO 0 3 0 0
CaO 4 15 12.06 6.34
SrO 0 10 0 0
BaO 0 1 0 0
ZnO 0 5 0 2.52

.
SciGlass today
Characteristics Number
Total number of glasses >400 000
Patent sources >18 000
Ternary diagrams of glass formation >4000
Spectral curves >20 000
Prof. Oleg Mazurin and his colleagues started this work in 1960th.
After half a century, we have the world largest collection of glass
property data.

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

.
Processing Glass Property Data
with SciGlass Information System
Alexander PRIVEN
privenai@corning.com

.

Processing Glass Property Data With Sciglass Information System

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Processing Glass Property Data

with SciGlass Information System

© 2015 Corning Incorporated .

SciGlass is the world • make the data visible

• … and more, and more, that the

© 2015 Corning Incorporated .

© 2015 Corning Incorporated .

• And many more

© 2015 Corning Incorporated .

© 2015 Corning Incorporated .

© 2015 Corning Incorporated .

a source data Unique ID of

© 2015 Corning Incorporated .

© 2015 Corning Incorporated .

The user’s data are

© 2015 Corning Incorporated .

Property and method

© 2015 Corning Incorporated .

© 2015 Corning Incorporated .

 > 20 000 spectra

© 2015 Corning Incorporated .

© 2015 Corning Incorporated .

© 2015 Corning Incorporated .

© 2015 Corning Incorporated .

© 2015 Corning Incorporated .

© 2015 Corning Incorporated .

You can use this formula

© 2015 Corning Incorporated .

Tg in chalcogenide system As-Se

© 2015 Corning Incorporated .

© 2015 Corning Incorporated .

You can use the formula of polynomial in an external

© 2015 Corning Incorporated .

… and we can see

© 2015 Corning Incorporated .

© 2015 Corning Incorporated .

© 2015 Corning Incorporated .

• >100 methods of calculation

• Up to 70,000 experimental data points in a single

• Unlimited number of components

• Approximation with 1 to 6 order polynomials

• Use of polynomial formulas in your applications

© 2015 Corning Incorporated .

© 2015 Corning Incorporated .

Correlations of glass properties with each other are

SciGlass allows easy visualization and

© 2015 Corning Incorporated .

Click on an “outlier” gets an idea of compositions

© 2015 Corning Incorporated .

© 2015 Corning Incorporated .

© 2015 Corning Incorporated .

© 2015 Corning Incorporated .

© 2015 Corning Incorporated .

Prediction are made by using the method Priven-2000

• 270,000 oxide glasses with pre-calculated properties

© 2015 Corning Incorporated .

But… how reliable the calculations

© 2015 Corning Incorporated .

© 2015 Corning Incorporated .

The feature is available

© 2015 Corning Incorporated .

© 2015 Corning Incorporated .

Asterisk specifies confidence limits for properties.