empirical_thermal_conductivity

Official Resources

• Source Repository: https://github.com/houzf/empirical_thermal_conductivity
• License: See repository

Overview

empirical_thermal_conductivity is a tool to estimate lattice thermal conductivity using empirical models, including Clarke’s, Cahill–Pohl’s, and Slack’s models. It is designed for quick estimates and comparisons when full phonon-BTE calculations are not required.

Scientific domain: Thermal conductivity estimation, empirical models
Target user community: Materials scientists needing fast baseline thermal conductivity estimates

Theoretical Methods

• Clarke model
• Cahill–Pohl model
• Slack model

Capabilities (CRITICAL)

• Compute thermal conductivity estimates from empirical relations
• Print supporting quantities such as Debye temperature and related parameters (as implemented)

Inputs & Outputs

• Input formats: Material parameters as defined by the tool
• Output data types: Estimated thermal conductivity values and reported intermediate quantities

Interfaces & Ecosystem

• Standalone estimator; can be integrated into screening workflows

Limitations & Known Constraints

• Empirical models provide approximate estimates; may not capture strong anharmonicity/complex scattering.

Verification & Sources

Primary sources:

1. Source repository: https://github.com/houzf/empirical_thermal_conductivity

Confidence: VERIFIED

Verification status: ✅ VERIFIED

• Source code: PUBLIC