Structure of As-Se Glasses by Neutron Diffraction with Isotope Substitution

Philip S. Salmon from the University of Bath published data sets used to prepare Figures 1-7 in a Journal of Chemical Physics article. The data sets refer to the measured or modelled structure of As-Se glasses with compositions at or near to As_{0.30}Se_{0.70}, As_{0.35}Se_{0.65} and As_{0.40}Se_{0.60}. The data includes total structure factors F(k), total pair-distribution functions G(r), and difference functions Delta F_{gamma}(k) and Delta G_{gamma}(r).

Use Cases

• Validate computational models of glass structure based on neutron diffraction data.
• Analyze the relationship between composition and atomic ordering in As-Se glasses based on the provided structure factors.
• Compare structural measurement techniques using the D4c versus GEM instrument data.
• Study pair-distribution functions to infer bond lengths and coordination numbers in amorphous materials.

Strengths

• Data is directly linked to a peer-reviewed publication in the Journal of Chemical Physics.
• Includes measurements for three specific glass compositions: As_{0.30}Se_{0.70}, As_{0.35}Se_{0.65}, and As_{0.40}Se_{0.60}.
• Contains both raw measured data and processed/smoothed functions for analysis.

Limitations

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

Provenance

Source

University of Bath

Collection Method

Neutron diffraction with isotope substitution, using D4c and GEM instruments.