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Search for Glasses (experimental data)

Search for glasses that belong to a specific concentration range with prescribed values of experimentally measured properties.

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The panel looks similar to the Search for Tables, but with options for Min/Max value ranges for components and properties. This is useful, for example, if you want to search for all glasses with certain components or property value ranges or even exclude some components.

There are three types of the search for glasses in the SciGlass software:

  1. search for experimental data
  2. search for predicted (pre-calculated) properties
  3. search for similar compositions.

At the current phase, SciGlass Next supports for the first type only.

Future

In SciGlass (desktop vsrion), it is called Queries for Glasses and can be used to query calculated properties as well. However, such pre-calculated data is not published on GitHub. We therefore look forward to implementing the proposed/shared (general) models from your contribution.

Future

As for searching for similar compositions, it is feasible, but due to the limited computing resources to be reserved for ML prediction tools, this type of search is not currently planned to be implemented soon.

Component

You can specify up to 15 components to include/exclude from the search. Any glass of matching components is selected. You can click on the Clear button in the upper right corner of this area to clear all the fields (the clear button turns blue when a selection exists). Same for System, and Property areas.

Included

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Min/Max field

The user can specify the concentration limits for these substances by entering values in the Min and Max fields. The absence of values in these fields means that there are no corresponding limit values. At the same time, the absence of a value in the Min field means that the corresponding ingredient must be present in the selected glasses. Entering 0 in this Min field means that the corresponding component can be absent in the selected glasses.

Excluded

The same type of field as Included, but it contains components that do NOT appear in the glasses of interest.

System

A user can select types of components which are to be included in the glasses contained in the table. During the search, all tables containing at least one glass belonging to the chosen system are selected.

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Tip

In some cases, you may want to match exactly the selected systems instead of having tables that contain at least one glass belonging to the chosen system.

To achieve this, you can click on the Exact toggle button or alternatively use the System type criteria with regard to the number of components.

System type

The dropdown list determines a specific list of system types with regard to the number of components: All, One-component (One-comp), Binary, Ternary, Quaternary and multi-component (>4 components) glasses. All means the absence of any selection (default).

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There are two ways to define the system type for a glass: all components whose concentrations are reported, regardless of how low they are, or only the main components that are present in a glass in noticeable concentrations.

For example, a glass with reported composition 80 SiO2 + 19.95 Na2O + 0.05 Fe2O3 can be considered as ternary or binary system.

The options Considered as components and Ignored radio buttons allow selection of whether impurities in concentrations of less than 0.5wt% should be taken into account or ignored.

Note

Although it says: Impurities < 0.5wt%, values of less than 1% by weight (rough value) may still be considered impurities in the original database depending on the original source.

Kind of %

Specify the kind of percent for the Min and Max values. The following options are available:

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  1. Molar%
  2. Weight%
  3. Atomic% (added since v0.4.0)

This is similar to the Search Options in Search for Tables.

Note

Switching from Molar% or Weight% to Atom % will clear all selections in the Component card and vice versa.

In addition, the System type card is disabled in SciGlass when Atom % is selected and is not considered in the search. If this is not the case for the latest SciGlass version, please contact us.

Warning

Approximately 1000 rows of data for Molar% and Atomic% are recorded as 0 in the original database

This is because the combined components (e.g., Na2O + K2O from Collection) are reported in Weight% in the original publication, making it impossible to convert to Molar% and Atomic%.

Composition by analysis

Click on the toggle button to select the tables in which the glass composition is reported by chemical analysis. In general, the property data for such glasses are much more reliable than the glasses with compositions by batch.

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Detail

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By default, only the selected components are displayed in the table of the result section.

If you check this option, the table will display all components for each glass, even if you haven't selected them.

Note

It is recommended to limit the criteria first. Otherwise, the result table may contain an excessive number of components in the Composition column.

Note

This option requires you to select at least one property first.

Property

You can specify up to 15 properties for the search, and there are two options to select: Individual Properties and Property Groups.

Individual Properties (Standardized property values)

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The results of processing the initial experimental data for viscosity, electrical resistivity (for glasses & melts), thermal expansion (for solid glasses), heat capacity specific heat (for glasses & melts), surface tension (for melts only), and density (for melts). They are presented in the form of property values at several selected temperatures and in some cases also in the form of temperatures corresponding to some selected property values. The purpose of this processing is to make all experimental data on certain properties compatible with each other.

Property Groups

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This is almost the same as the property groups that appear in the Search for Tables panel. Few property groups correspond to only one property value. Literally speaking, it is not a group that has more than 1 property value).

Therefore, in SciGlass Next, the following properties, which were originally part of Property Groups in SciGlass, are moved to Individual Properties:

Tip

Hovering the mouse pointer over the name of the property or property group displays a tooltip with some basic information.

Conditions

By default, the condition AND is used for the newly selected individual property. You can use the radio button to quickly set AND or OR for all fields. You can also choose to change the conditions for each field.

Note that in some cases, the user-defined conditions are ignored:

  1. When only one individual property is selected, AND condition is applied.
  2. When all conditions are OR, only results where at least one property is not null are displayed.
  3. When a property group is selected, the properties belonging to that group are used for the query. If standardized properties are available, they are displayed as column headers in the result table.
  4. When a property group and one or more of its individual properties are selected and the AND condition is set for the individual property, this means that this individual property must not be null. The same applies if the Min/Max field is not empty.

This is a temporary design solution that may be changed in the future.

Min/Max field

The User can select the property limits that are to be expressed in the Min and Max fields. If the Max and Min fields remain empty, the system searches for all occurrences of the specified properties with all possible values.

Clear & Run

Clear: Clear all fields of the query.

Run: Run the query and navigate to the Result Card section.

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Note

In contrast to the Search for Tables, where you can display all data if you do not select anything, it is not possible to display all glass data due to the limited computing resources; the user must select at least one component or one property when searching.

Example

The result of the query is displayed in the Result Card section same as Search for Tables, but this time it lists the SciGlass glasses that match the query conditions instead of tables.

Get started

For example, query the database for a binary sodium borate system with Component: Na2O B2O3, System Type: Binary, Kind of %: Weight%,Individual Property: α at T < Tg *1E7

to reproduce one result from the publication: Glass properties: compilation, evaluation, and prediction of Prof. Mazurin.

The term ‘boron anomaly’ was introduced in the glass science in the 30s of the last century and was related to a specific shape of the dependence of a thermal expansion coefficient (TEC) on the composition of a binary sodium borate system. A minimum of TEC was clearly positioned somewhere between 16% and 17% of Na2O. It is to be noted that a great scatter of data in this figure is mainly due to the difference in the temperature ranges of TEC measurements published by different authors. Therefore, no statistical processing of the presented data including the removal of defective data was performed in this case.

Mazurin, O. V. (2005). Glass properties: compilation, evaluation, and prediction. Journal of Non-Crystalline Solids, 351(12-13), 1103-1112.

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After you have clicked on Run, you will be navigated to the Result Card section (see below).

Result Card (Table view)

When the results are shown in the Result Card section, click on the Table ID of a record to open a particular table.

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Click on the GNo (Glass No) of a record to open the calculation results in a pop-up window.

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Tip

  1. Hovering the mouse pointer over the header of a property displays a tooltip with the full name.
  2. With the Page length option, you can choose the number of rows (glasses) to display (default: 25 glasses) and search with the Search bar in the Result Card section.
  3. You can export the search results as an Excel or CSV file by using the Export button.

Future

It is planned to add a Filter button on the right-hand side of the search bar. With this you can filter each column individually.

Result Card (Visualization view)

When you search for glasses, this view is displayed at the top of the Card. Click on the icons to switch between the table view and the visualization view.

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With the Curve fitting function, we can perform a simple fitting.

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Future

It is planned to add a Custom Fnction in the Curve Fitting area, with which the user can define his own fitting equation.

More Showcases

We would love to hear from you about the research topics that you are interested in and the research you are working on.