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Investigated Cu Precipitation in Fecu Alloys Contains of (B,N): A Combined First-Principles Calculations and Kinetic Monte Carlo Simulations

https://doi.org/10.2139/ssrn.4653008
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The kinetics of precipitation from supersaturated solid solutions
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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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Monte Carlo simulations of copper precipitation in dilute iron-copper alloys during thermal ageing and under electron irradiation
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kmos: A lattice kinetic Monte Carlo framework
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Kinetic Monte Carlo simulation of electrodeposition using the embedded-atom method
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Solute interaction with point defects in α Fe during thermal ageing: A combined ab initio and atomic kinetic Monte Carlo approach
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Kinetic Monte Carlo modeling of cascade aging and damage accumulation in Fe–Cu alloys
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Precipitation of the FeCu system: A critical review of atomic kinetic Monte Carlo simulations
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Atomic kinetic Monte Carlo model based on ab initio data: Simulation of microstructural evolution under irradiation of dilute Fe–CuNiMnSi alloys
inferredcites →https://doi.org/10.1016/s0927-0256(02)00163-5openalex-extracted
Atomistic computer simulation of the formation of Cu-precipitates in steels
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A climbing image nudged elastic band method for finding saddle points and minimum energy paths
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Dynamic Monte Carlo with a proper energy barrier: Surface diffusion and two-dimensional domain ordering
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A fluorescence EXAFS study of the structure of copper-rich precipitates in Fe–Cu and Fe–Cu–Ni alloys
inferredcites →https://doi.org/10.1080/09500839108215121openalex-extracted
Transmission electron microscope investigations of the structure of copper precipitates in thermally-aged Fe—Cu and Fe—Cu—Ni
inferredcites →https://doi.org/10.1080/10420159808229676openalex-extracted
Recent progress in understanding reactor pressure vessel steel embrittlement
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Low-temperature solubility of copper in iron: experimental study using thermoelectric power, small angle X-ray scattering and tomographic atom probe
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Special points for Brillouin-zone integrations
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Ab initio molecular dynamics for liquid metals
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Relativistic separable dual-space Gaussian pseudopotentials from H to Rn
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Virtual crystal approximation revisited: Application to dielectric and piezoelectric properties of perovskites
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Cu-precipitation kinetics in α−Fe from atomistic simulations: Vacancy-trapping effects and Cu-cluster mobility
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First-principles calculations of the ferroelastic transition between rutile-type and CaCl 2 -type SiO 2 at high pressures
inferredcites →https://doi.org/10.1103/physrevb.85.224203openalex-extracted
Virtual-crystal approach to aluminum-avoidance materials: A first-principles density-functional calculation of micas
inferredcites →https://doi.org/10.1103/physrevlett.3.412openalex-extracted
Crystal Stability and the Theory of Ferroelectricity
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Generalized Gradient Approximation Made Simple
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First-Principles Determination of the Soft Mode in Cubic ZrO 2
inferredcites →https://doi.org/10.2355/isijinternational.34.359openalex-extracted
Precipitation Hardening in Fe-Cu Binary and Quaternary Alloys.
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