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A general approach for calculating melt–solid impurity segregation coefficients based on thermodynamic integration
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/jcc.21909openalex-snapshot
Soft‐core potentials in thermodynamic integration: Comparing one‐ and two‐step transformations
inferredcites →https://doi.org/10.1006/jcph.1995.1039openalex-snapshot
Fast Parallel Algorithms for Short-Range Molecular Dynamics
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The configuration and diffusion of isolated oxygen in silicon and germanium
inferredcites →https://doi.org/10.1016/j.commatsci.2006.06.010openalex-snapshot
Interatomic potential for Si–O systems using Tersoff parameterization
inferredcites →https://doi.org/10.1016/j.ijheatmasstransfer.2016.04.026openalex-snapshot
Mass transfer behaviors of oxygen during cold crucible continuous casting silicon
inferredcites →https://doi.org/10.1016/j.ijheatmasstransfer.2017.01.092openalex-snapshot
Global simulation of coupled oxygen and carbon transport in an industrial directional solidification furnace for crystalline silicon ingots: Effect of crucible cover coating
inferredcites →https://doi.org/10.1016/j.jcrysgro.2010.07.052openalex-snapshot
Impurity segregation in directional solidified multi-crystalline silicon
inferredcites →https://doi.org/10.1016/j.jcrysgro.2012.06.004openalex-snapshot
Effects of cusp-shaped magnetic field on melt convection and oxygen transport in an industrial CZ-Si crystal growth
inferredcites →https://doi.org/10.1016/j.jcrysgro.2019.125404openalex-snapshot
Transient global modeling for the pulling process of Czochralski silicon crystal growth. II. Investigation on segregation of oxygen and carbon
inferredcites →https://doi.org/10.1016/j.jhazmat.2020.122383openalex-snapshot
Guidelines for the use and interpretation of adsorption isotherm models: A review
inferredcites →https://doi.org/10.1016/s0017-9310(03)00049-8openalex-snapshot
Global simulation of a silicon Czochralski furnace in an axial magnetic field
inferredcites →https://doi.org/10.1016/s0022-0248(99)00878-7openalex-snapshot
Oxygen and carbon transfer during solidification of semiconductor grade silicon in different processes
inferredcites →https://doi.org/10.1038/s41467-018-07882-8openalex-snapshot
Double-slit photoelectron interference in strong-field ionization of the neon dimer
inferredcites →https://doi.org/10.1063/1.3042096openalex-snapshot
Entropic origins of stability in silicon interstitial clusters
inferredcites →https://doi.org/10.1063/1.332115openalex-snapshot
Oxygen segregation in Czochralski silicon growth
inferredcites →https://doi.org/10.1063/1.448024openalex-snapshot
New Monte Carlo method to compute the free energy of arbitrary solids. Application to the fcc and hcp phases of hard spheres
inferredcites →https://doi.org/10.1063/1.4728163openalex-snapshot
Solubility of NaCl in water by molecular simulation revisited
inferredcites →https://doi.org/10.1063/1.4917049openalex-snapshot
Thermodynamic and morphological analysis of large silicon self-interstitial clusters using atomistic simulations
inferredcites →https://doi.org/10.1063/1.5006944openalex-snapshot
Atomistic simulations of carbon diffusion and segregation in liquid silicon
inferredcites →https://doi.org/10.1063/1.5088495openalex-snapshot
Carbon solubility in liquid silicon: A computational analysis across empirical potentials
inferredcites →https://doi.org/10.1063/5.0032602openalex-snapshot
The Young–Laplace equation for a solid–liquid interface
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Lattice kinetic Monte Carlo simulations of defect evolution in crystals at elevated temperature
inferredcites →https://doi.org/10.1080/23746149.2018.1548305openalex-snapshot
Silicon solar cells: toward the efficiency limits
inferredcites →https://doi.org/10.1103/physrevb.35.9120openalex-snapshot
Phase diagram of silicon by molecular dynamics
inferredcites →https://doi.org/10.1103/physrevb.39.5566openalex-snapshot
Modeling solid-state chemistry: Interatomic potentials for multicomponent systems
inferredcites →https://doi.org/10.1103/physrevb.41.3248.2openalex-snapshot
Erratum: Modeling solid-state chemistry: Interatomic potentials for multicomponent systems
inferredcites →https://doi.org/10.1103/physrevb.49.16349openalex-snapshot
Chemical order in amorphous silicon carbide
inferredcites →https://doi.org/10.1103/physrevb.60.11449openalex-snapshot
Computational study of interstitial oxygen and vacancy-oxygen complexes in silicon
inferredcites →https://doi.org/10.1103/physrevb.72.014119openalex-snapshot
Role of configurational entropy in the thermodynamics of clusters of point defects in crystalline solids
inferredcites →https://doi.org/10.1103/physrevb.79.214109openalex-snapshot
Free energy of a ⟨110⟩ dumbbell interstitial defect in bcc Fe: Harmonic and anharmonic contributions
inferredcites →https://doi.org/10.1103/physrevb.97.054102openalex-snapshot
Computing the absolute Gibbs free energy in atomistic simulations: Applications to defects in solids
inferredcites →https://doi.org/10.1103/physrevx.8.041048openalex-snapshot
Machine Learning a General-Purpose Interatomic Potential for Silicon
inferredcites →https://doi.org/10.1149/1.1838541openalex-snapshot
Segregation of Oxygen at a Solid/Liquid Interface in Silicon
inferredcites →https://doi.org/10.1149/1.2403610openalex-snapshot
Concentration, Solubility, and Equilibrium Distribution Coefficient of Nitrogen and Oxygen in Semiconductor Silicon
inferredcites →https://doi.org/10.15488/5174openalex-snapshot
Double-slit photoelectron interference in strong-field ionization of the neon dimer
inferredcites →https://doi.org/10.1557/proc-610-b7.11openalex-snapshot
Diffusion Engineering by Carbon in Silicon
inferredcites →https://doi.org/10.2320/matertrans.43.2120openalex-snapshot
Solubilities and Equilibrium Distribution Coefficients of Oxygen and Carbon in Silicon
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1016/j.actamat.2026.122330openalex-snapshot
Sulfur migration in silver: Insights from first-principles static and dynamic simulations
inferred← citeshttps://doi.org/10.1016/j.molliq.2023.123924openalex-snapshot
A comprehensive investigation on the accuracy and efficiency of methods for melting temperature calculation using molecular dynamics simulations
inferred← citeshttps://doi.org/10.1016/j.solmat.2026.114309openalex-snapshot
Advances in doping technology for Czochralski monocrystalline silicon
inferred← citeshttps://doi.org/10.1016/j.susc.2023.122449openalex-snapshot
Interface and surface segregation of germanium in the SiGe semiconductor
inferred← citeshttps://doi.org/10.1063/5.0095638openalex-snapshot
A unified approach for calculating free energies of liquid and defective crystals based on thermodynamic integration
inferred← citeshttps://doi.org/10.3390/ma15114026openalex-snapshot
Thermodynamic Formation Properties of Point Defects in Germanium Crystal
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