A nonequilibrium molecular dynamics (NEMD) heat flow algorithm is used to c
ompute the heat conductivity of one-dimensional (ID) lattices. For the well
-known Fermi-Pasta-Ulam (FPU) lattice, it is shown that for heat field stre
ngths higher than a certain critical value, a stable solitary wave (soliton
) can emerge spontaneously in molecular dynamics simulations. For lower fie
ld strengths the dynamics of the system are mostly chaotic. heat conductivi
ty obtained via the NEMD algorithm increases monotonically with the size of
the system. It is also demonstrated that the 1D nonequilibrium system may
reach different steady states depending on the initial conditions.