Efficient analytical expressions for dynamic structure of liquid binary alloys: K-Cs as a case study

Area of Science:

• Condensed matter physics
• Materials science
• Physical chemistry

Background:

• Understanding collective dynamics in liquid alloys is crucial for materials science.
• Previous models often simplified the complex interactions within liquid binary alloys.

Purpose of the Study:

• To propose a novel fitting scheme for analyzing collective dynamics in liquid binary alloys.
• To apply this scheme to the liquid equimolar potassium-cesium (K-Cs) alloy.

Main Methods:

• Developed a fitting scheme incorporating three relaxing and two propagating modes.
• Utilized partial density-density time correlation functions and dynamic structure factors.
• Incorporated exact sum rules for partial dynamic structure factors.
• Analyzed simulation-derived data and Bhatia-Thornton number-concentration formalism.

Main Results:

• Successfully obtained the dispersion and damping of collective excitations in liquid K-Cs.
• Characterized the behavior of relaxing modes across a wide range of wave numbers.
• Validated the fitting scheme by comparing results with inelastic neutron scattering data.

Conclusions:

• The proposed fitting scheme provides a robust framework for analyzing collective dynamics in liquid binary alloys.
• The study offers new insights into the excitation behavior of liquid K-Cs alloys.