Structure Factors and Bond Angles for Amorphous Materials and Glasses

Philip S. Salmon from the University of Bath provides the data sets used to prepare figures for a Journal of Statistical Mechanics article. The data includes structure factors and bond angle distributions for materials like amorphous silicon, germanium, SiO2, GeO2, ZnCl2, and GeSe2. It supports analysis of ordering on different length scales in liquid and amorphous materials.

Use Cases

• Analyzing the relationship between bond angles and material fragility based on the fragility index and bond angle data.
• Comparing partial structure factors (e.g., S_NN, S_CC, S_NC) across different network-forming glasses.
• Studying pressure dependence of total structure factors in materials like GeO2 and GeSe2.
• Examining pair-distribution functions for materials like liquid AuSi and glassy ZnCl2.
• Modeling bond angle distributions using polarisable ion model calculations for AX2 systems.

Strengths

• Data is directly linked to a peer-reviewed article in the Journal of Statistical Mechanics: Theory and Experiment.
• Covers multiple material systems including amorphous silicon, germanium, and several network glasses (SiO2, GeO2, ZnCl2, GeSe2).
• Includes multiple types of structural data: total and partial structure factors, pair-distribution functions, and bond angle distributions.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• Last update date is unknown; freshness unverified.

Provenance

Source

University of Bath / Journal of Statistical Mechanics: Theory and Experiment

Collection Method

Data sets used to prepare figures for a scientific article; likely from experimental measurements and simulations.