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• W4292286221 endingPage "49" @default.
• W4292286221 startingPage "21" @default.
• W4292286221 abstract "Interatomic potentials (or forcefields) for detailed structures are produced by fitting certain functions within constraints of investigational data or with planned data from the first-principles methods. The experimental data employed for fitting comprises equilibrium lattice parameter, bulk modulus, cohesive energy, thermal expansion coefficient, dielectric constants, elastic modulus, vibration spectrum, surface energy and vacancy formation energies. All these empirical potentials are specifically for their own domain or system. It should be ensured that it is transferable and one must be cautious about applying one specific potential to other systems or situations." @default.
• W4292286221 created "2022-08-19" @default.
• W4292286221 creator A5005554695 @default.
• W4292286221 creator A5032465989 @default.
• W4292286221 creator A5039073384 @default.
• W4292286221 creator A5055228928 @default.
• W4292286221 date "2022-01-01" @default.
• W4292286221 modified "2023-10-16" @default.
• W4292286221 title "Introduction to Interatomic Potentials/Forcefields" @default.
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