- 【Updated on May 12, 2025】 Integration of CiNii Dissertations and CiNii Books into CiNii Research
- Trial version of CiNii Research Knowledge Graph Search feature is available on CiNii Labs
- Suspension and deletion of data provided by Nikkei BP
- Regarding the recording of “Research Data” and “Evidence Data”
Reliability of Classical Molecular Dynamics Method to Thermodynamic Properties of Hydrogen
Description
In this study, the reliability of classical molecular dynamics (MD) method to thermodynamic properties of cryogenic hydrogen was investigated. The Lennard-Jones (LJ) potential, 2-Center Lennard-Jones (2CLJ) potential and modified Buckingham (exp-6) potential were applied for this investigation. MD calculations were conducted at a wide density-temperature range. The Equation of State (EOS) obtained by the MD results was calculated using Kataoka’s method, and they were compared with NIST (National Institute of Standards and Technology) data. As a result, it was confirmed that the thermal properties obtained by MD results can reproduce the NIST data at gas phase, while it cannot at liquid phase and around its critical point. These distinctions are considered to arise from the manybody effect or quantum effect of actual hydrogen liquid.
Journal
-
- 48th AIAA Aerospace Sciences Meeting Including the New Horizons Forum and Aerospace Exposition
-
48th AIAA Aerospace Sciences Meeting Including the New Horizons Forum and Aerospace Exposition 2010-01-04
American Institute of Aeronautics and Astronautics (AIAA)