Non-equilibrium lifetimes of DNA under electronic current in a molecular junction (2509.08307v1)

Abstract: We investigate the non-equilibrium mechanical motion of double-stranded DNA in a molecular junction under electronic current using Keldysh-Langevin molecular dynamics. Non-equilibrium electronic force reshapes the effective potential energy surface, and along with electronic viscosity force and stochastic force, governs voltage-dependent dynamics of DNA's collective mechanical coordinate. We compute mean first-passage times to quantify the non-equilibrium lifetime of the DNA junction. At low voltage biases, electron-mechanical motion coupling destabilises DNA by shifting the potential minimum towards critical displacement and suppressing barriers, shortening lifetimes by several orders of magnitude. Unexpectedly, at higher voltages the trend reverses: the potential minimum shifts away from instability and the barrier re-emerges, producing re-stabilisation of the junction. In addition, we demonstrate the Landauer blowtorch effect in this system: coordinate-dependent fluctuations generate a spatially varying effective temperature, changing current-induced dynamics of mechanical degrees of freedom. Apparent temperatures of DNA mechanical motion increase far above ambient due to current-induced heating, correlating with suppressed electronic current at stronger couplings. Our results reveal a non-equilibrium interplay between current-driven forces, dissipation, and fluctuations in DNA junctions, establishing mechanisms for both destabilisation and recovery of DNA stability under electronic current.