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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. 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 component 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.

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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%

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 you have a different opinion, please contact us to discusss.

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)

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.

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Property Groups

This is almost the same as the Property Groups that appear in the Search for Tables panel.

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Note that few property groups correspond to only one property value. Literally speaking, it is not a group that has more than one property value).

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

Tip

You can click on the information icon next to the name of the property to view some basic information about the property.

Condition

By default, the condition AND is used for all properties selected. You can use the radio button to switch between AND and OR.

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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 condition is OR, only results where at least one property is not null are displayed.

Unit

Future

The unit option for property is currently unavailable. It is planned to add this option 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.

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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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Tip

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.

Calculation Result

If you click on the Glass No, the calculation result will be displayed in a pop-up window.

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To read more about the calculation result, check Calculation Result.

Filter

You can filter the glasses with each column individually using the Filter button next to the export button.

When there is a filter activated, the Filter button shows a blue bubble. Open the Filter button again to clear the filter.

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Data Export

You can export the table information as an Excel or CSV file by using the Export button.

By default, the data is exported to Excel, but you can click the dropdown button to choose CSV export.

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Tip

The exported Excel file has AutoFilter enabled. You can use the filter to search for specific data in the Excel file as well.

Result Card (Visualization view)

When you search for glasses, this visualization is available to use. Click on the Visualization tab to switch between the table view and the visualization view.

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Tip

Double-click on the data point in the plot to open the calculation result. Or you can right-click on the data point to open the context menu for more options such as opening the table.

As we already introduced in the Search for Tables, you can use the Data tab in the plot panel to visualize the data with three different chart types. Here, we skip this part and go directly to the Fitting tab.

Curve fitting can be performed in the Fitting tab from the plot panel:

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To read more about the curve fitting function, check Curve fitting.

More Showcases

We would love to hear from you about the research topics that you are interested in or the research you are working on, please contact us if you want to share with us.