Pages that link to "Item:Q743330"
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The following pages link to Mechanical properties and elastic constants of atomistic systems through the stress-fluctuation formalism (Q743330):
Displaying 6 items.
- All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals (Q311588) (← links)
- Computation of the thermal elastic constants for arbitrary manybody potentials in LAMMPS using the stress-fluctuation formalism (Q2692451) (← links)
- General energy-strain scheme for accurate evaluation of the Born elasticity term for solid and liquid systems under finite temperature and pressure conditions (Q2698796) (← links)
- Free energy calculations by molecular simulations of deformed polymer glasses (Q2698840) (← links)
- (Q4246844) (← links)
- Accurate stress calculations based on numerical atomic orbital bases: implementation and benchmarks (Q6098545) (← links)
