▾ NaCl shear (body-force) — click to collapse

Body-force shear (Couette-like): apply Fx = m·γ̇·(y−yc) to every atom, so each layer gets a uniform shear rate γ̇. Top atoms drift in +x, bottom in −x. No frozen boundaries, no surface artifacts; the deformation is uniform shear by construction.

For a solid: at small γ̇ the shear strain γ accumulates linearly in time (γ(t) = γ̇·t) until the elastic restoring force balances the body force. Steady-state strain: γ_∞ = γ̇·m·D / k_eff (where k_eff is effective elastic stiffness).

URL params: ?shear=1e-5&n=5.
 
Status: setting up…
Shear rate γ̇: 1/au-time²
y_center: grid cells
Total atoms:

Top-atom vx (live): au/t
Bottom-atom vx (live): au/t
Top-atom δx (live): au
Bottom-atom δx (live): au
Strain γ = (δtop−δbot)/Ly (live):

Accumulated shear work _shearWork: Ha
Watch: δx(top) growing positive, δx(bottom) growing negative; γ should plateau at steady state. Then γ_∞/γ̇ relates to elastic stiffness.
Reference: NaCl C44 ≈ 12.6 GPa.