| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Ströker, Philipp | - |
| dc.contributor.author | Hellmann, Robert | - |
| dc.contributor.author | Meier, Karsten | - |
| dc.date.accessioned | 2022-09-26T09:27:32Z | - |
| dc.date.available | 2022-09-26T09:27:32Z | - |
| dc.date.issued | 2022-06 | - |
| dc.identifier.issn | 2470-0045 | - |
| dc.identifier.issn | 2470-0053 | - |
| dc.description.abstract | Ten different thermodynamic properties of the noble gas argon in the liquid and supercritical regions were obtained from semiclassical Monte Carlo simulations in the isothermal-isobaric ensemble using ab initio potentials for the two-body and nonadditive three-body interactions. Our results for the density and speed of sound agree with the most accurate experimental data for argon almost within the uncertainty of these data, a level of agreement unprecedented for many-particle simulations. This demonstrates the high predictive but yet unexploited power of ab initio potentials in the field of molecular modeling and simulation for thermodynamic properties of fluids. | - |
| dc.description.sponsorship | Thermodynamik | - |
| dc.language.iso | eng | - |
| dc.relation.ispartof | Physical review. E, Statistical, nonlinear, and soft matter physics | - |
| dc.title | Thermodynamic properties of argon from Monte Carlo simulations using ab initio potentials | - |
| dc.type | Article | - |
| dc.identifier.doi | 10.1103/PhysRevE.105.064129 | - |
| dc.identifier.pmid | 35854585 | - |
| dc.identifier.scopus | 2-s2.0-85133374033 | - |
| dcterms.bibliographicCitation.volume | 105 | - |
| dcterms.bibliographicCitation.issue | 6 | - |
| dcterms.bibliographicCitation.pagestart | 1 | - |
| dcterms.bibliographicCitation.pageend | 8 | - |
| local.submission.type | only-metadata | - |
| dc.type.article | Scientific Article | - |
| hsu.peerReviewed | ✅ | - |
| item.grantfulltext | none | - |
| item.languageiso639-1 | en | - |
| item.fulltext_s | No Fulltext | - |
| item.openairetype | Article | - |
| item.fulltext | No Fulltext | - |
| crisitem.author.dept | Thermodynamik | - |
| crisitem.author.dept | Thermodynamik | - |
| crisitem.author.parentorg | Fakultät für Maschinenbau und Bauingenieurwesen | - |
| crisitem.author.parentorg | Fakultät für Maschinenbau und Bauingenieurwesen | - |
| Appears in Collections: | 3 - Publication references (without fulltext) | |
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