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Extension of Kirkwood–Buff theory to solids and its application to the compressibility of fcc argon

https://doi.org/10.1063/5.0049673
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1016/0031-8914(69)90031-7openalex-snapshot
Isothermal elastic constants for argon. theory and Monte Carlo calculations
inferredcites →https://doi.org/10.1016/j.fluid.2018.12.015openalex-snapshot
Kirkwood-Buff integration: A promising route to entropic properties?
inferredcites →https://doi.org/10.1016/j.softx.2015.06.001openalex-snapshot
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
inferredcites →https://doi.org/10.1021/ct301017qopenalex-snapshot
Convergence of Sampling Kirkwood–Buff Integrals of Aqueous Solutions with Molecular Dynamics Simulations
inferredcites →https://doi.org/10.1021/jz301992uopenalex-snapshot
Kirkwood–Buff Integrals for Finite Volumes
inferredcites →https://doi.org/10.1038/ncomms11859openalex-snapshot
Polymorphism in magic-sized Au144(SR)60 clusters
inferredcites →https://doi.org/10.1063/1.1748352openalex-snapshot
The Statistical Mechanical Theory of Solutions. I
inferredcites →https://doi.org/10.1063/1.1817970openalex-snapshot
Modeling nonionic aqueous solutions: The acetone-water mixture
inferredcites →https://doi.org/10.1080/00268976.2018.1434908openalex-snapshot
Kirkwood–Buff integrals of finite systems: shape effects
inferredcites →https://doi.org/10.1080/08927022.2013.839871openalex-snapshot
DL_MONTE: a general purpose program for parallel Monte Carlo simulation
inferredcites →https://doi.org/10.1080/08927022.2017.1416114openalex-snapshot
Finite-size effects of Kirkwood–Buff integrals from molecular simulations
inferredcites →https://doi.org/10.1080/08927022.2019.1569760openalex-snapshot
DL_MONTE: a multipurpose code for Monte Carlo simulation
inferredcites →https://doi.org/10.1103/physrev.150.703openalex-snapshot
Measurements of X-Ray Lattice Constant, Thermal Expansivity, and Isothermal Compressibility of Argon Crystals
inferredcites →https://doi.org/10.1103/physrevb.101.205423openalex-snapshot
Ensemble averaged Madelung energies of finite volumes and surfaces
inferredcites →https://doi.org/10.1103/physreve.97.051301openalex-snapshot
Size and shape dependence of finite-volume Kirkwood-Buff integrals
inferredcites →https://doi.org/10.1103/physreve.98.063302openalex-snapshot
Finite-size estimates of Kirkwood-Buff and similar integrals
inferredcites →https://doi.org/10.1107/s0108767391011327openalex-snapshot
Accuracy of pair distribution function analysis applied to crystalline and non-crystalline materials
inferredcites →https://doi.org/10.1126/science.1135080openalex-snapshot
The Problem with Determining Atomic Structure at the Nanoscale
inferredcites →https://doi.org/10.1524/zkri.2005.220.12_2005.1002openalex-snapshot
Atomic pair distribution function analysis of materials containing crystalline and amorphous phases
inferredcites →https://doi.org/10.1524/zkri.218.2.132.20664openalex-snapshot
Structural analysis of complex materials using the atomic pair distribution function — a practical guide

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.2139/ssrn.4684969openalex-extracted
inferred← citeshttps://doi.org/10.1007/s40242-023-3005-5openalex-snapshot
Spatial Correlation in Typical Binary Polycondensation Systems: An Essential Extension of the Kirkwood-Buff Theory
inferred← citeshttps://doi.org/10.1016/j.actamat.2024.119781openalex-snapshot
Quantifying free energies through local composition fluctuations in binary solid solutions: A proof-of-concept study using atomistic embedded-atom simulations
inferred← citeshttps://doi.org/10.1016/j.actamat.2026.121950openalex-snapshot
Direct measurement of the Gibbs free energy of mixing via atom probe tomography
inferred← citeshttps://doi.org/10.1021/acs.jctc.4c01047openalex-snapshot
How to Compute Density Fluctuations at the Nanoscale
inferred← citeshttps://doi.org/10.1021/acs.jpca.3c00076openalex-snapshot
EwaldSolidSolution: A High-Throughput Application to Quickly Sample Stable Site Arrangements for Ionic Solid Solutions
inferred← citeshttps://doi.org/10.1021/acs.macromol.2c00642openalex-snapshot
Mixing Thermodynamics and Flory–Huggins Interaction Parameter of Polyethylene Oxide/Polyethylene Oligomeric Blends from Kirkwood–Buff Theory and Molecular Simulations
inferred← citeshttps://doi.org/10.1063/5.0076744openalex-snapshot
Connecting density fluctuations and Kirkwood–Buff integrals for finite-size systems
inferred← citeshttps://doi.org/10.1063/5.0106162openalex-snapshot
Kirkwood–Buff integrals: From fluctuations in finite volumes to the thermodynamic limit
inferred← citeshttps://doi.org/10.1103/physreve.103.l061301openalex-snapshot
Validity of the compressibility equation and Kirkwood-Buff theory for crystalline matter
inferred← citeshttps://doi.org/10.3390/physchem2020014openalex-snapshot
Thermodynamic Analysis of ArxXe1-x Solid Solutions Based on Kirkwood–Buff Theory
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