The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
New Monte Carlo method to compute the free energy of arbitrary solids. Application to the fcc and hcp phases of hard spheres
Abstract
We present a new method to compute the absolute free energy of arbitrary solid phases by Monte Carlo simulation. The method is based on the construction of a reversible path from the solid phase under consideration to an Einstein crystal with the same crystallographic structure. As an application of the method we have recomputed the free energy of the fcc hard-sphere solid at melting. Our results agree well with the single occupancy cell results of Hoover and Ree. The major source of error is the nature of the extrapolation procedure to the thermodynamic limit. We have also computed the free energy difference between hcp and fcc hard-sphere solids at densities close to melting. We find that this free energy difference is not significantly different from zero: −0.001<ΔF<0.002.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
Handbook of Mathematical Functions
McQuarrie, D. A. (1966) · American Journal of Physics · doi:10.1119/1.1972842 · Cited by 40,433
Cited by
Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
The General Utility Lattice Program ( GULP )
Gale, J. D., & Rohl, A. L. (2003) · Molecular Simulation · doi:10.1080/0892702031000104887 · Cited by 2,265
Simulating water with rigid non-polarizable models: a general perspective
Vega, C., & Abascal, J. L. F. (2011) · Physical Chemistry Chemical Physics · doi:10.1039/c1cp22168j · Cited by 991
Melting line of aluminum from simulations of coexisting phases
Morris, J. R., Wang, C. Z., Ho, K. M., & Chan, C. T. (1994) · Physical Review B · doi:10.1103/physrevb.49.3109 · Cited by 558
Phase diagram of hard spheres confined between two parallel plates
Schmidt, M., & Löwen, H. (1997) · Physical Review E · doi:10.1103/physreve.55.7228 · Cited by 265
Metadata
- Authors
- Frenkel, D., & Ladd, A. J. C.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1984-10-01
- Volume
- 81
- Issue
- 7
- Pages
- 3188-3193
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2097650833
- Cited by
- 1,274
- References
- 1
- FWCI
- 7.71
- Type
- journal article
- Language
- en
- Open access
- closed
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
How to cite
Cite CoChat for the checks on this page, and the paper for its own findings.
- This page
- CoChat. (2026). Citation check: New Monte Carlo method to compute the free energy of arbitrary solids. Application to the fcc and hcp phases of hard spheres. https://app.cochat.ai/papers/10.1063/1.448024
- The paper
- Frenkel, D., & Ladd, A. J. C. (1984). New Monte Carlo method to compute the free energy of arbitrary solids. Application to the fcc and hcp phases of hard spheres. The Journal of Chemical Physics. https://doi.org/10.1063/1.448024
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
