# LAMMPS input script for elastic constant calculation units real dimension 3 boundary p p p atom_style atomic # Read initial structure read_data your_initial_structure.data # Define settings for the simulation neighbor 2.0 bin neigh_modify delay 10 every 1 check yes # Define the strain and ...
New RHEO package reproducing hydrodynamics and elastic objects (i.e. an improved version of SPH that can work in combination with BPM) New ML-UF3 package with pair style uf3 implementing the ultra-fast forcefield (uf3) machine learned interatomic potential. A KOKKOS version is included as wel...
看了一下lammps網址上的"elastic constant"，提到在溫度0k下，change_box這項指令可以藉由施加變形?碛嬎...
including structural properties (e.g. bond length distribution, coordination numbers, radial distribution functions), thermodynamic properties (e.g. temperature, pressure, volume), dynamic behaviors (e.g. diffusion coefficient, viscosity), and mechanical responses (e.g. elastic constant, Poisson ratio)...
The central atoms are connected via Finitely Extensible Nonlinear Elastic (FENE) bonds [34]. The wall atoms, similar to shell atoms, interact with the lb fluid via fixes lb/fluid and lb/viscous. The nanopore is made by deleting a 10 nm×4 nm×4 nm block from the middle of the wall....
Relaxation of a dislocation in Al: An edge dislocation [63] is inserted in an Al cylinder by displacing the atoms according to the anisotropic-elastic solution [64]. The cylinder has 25,340 atoms and a radius of 5.2 nm, including a border of width 1.4 nm where atoms are frozen in the...
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