Techniques to accelerate convergence of stress-controlled molecular dynamics simulations of dislocation motion

Dislocation mobility —the relation between applied stress and dislocation velocity—is an important property to model the mechanical behavior of structural materials. These mobilities reflect the interaction between the dislocation core and the host lattice and, thus, atomistic resolution is required to capture its details. Because the mobility function is multiparametric, its computation is often highly demanding in terms of computational requirements. Optimizing how tractions are applied can be greatly advantageous in accelerating convergence and reducing the overall computational cost of the simulations. In this paper we perform molecular dynamics simulations of ½ 〈1 1 1〉 screw dislocation motion in tungsten using step and linear time functions for applying external stress. We find that linear functions over time scales of the order of 10–20 ps reduce fluctuations and speed up convergence to the steady-state velocity value by up to a factor of two.

Electrodynamic Tether at Jupiter I: Capture operation and constraints

Tethered spacecraft missions to the Jovian system suit the use of electrodynamic tethers because: 1) magnetic stresses are 100 times greater than at the Earth; 2) the stationary orbit is one-third the relative distance for Earth; and 3) moon Io is a nearby giant plasma source. The (bare) tether is a reinforced aluminum foil with tens of kilometer length L and a fraction of millimeter thickness h, which collects electrons as an efficient Langmuir probe and can tap Jupiter’s rotational energy for both propulsion and power. In this paper, the critical capture operation is explicitly formulated in terms of orbit geometry and established magnetic and thermal plasma models. The design parameters L and h and capture perijove radius rp face opposite criteria independent of tape width. Efficient capture requires a low rp and a high L 3/2/h ratio. However, combined bounds on tether bowing and tether tensile stress, arising from a spin made necessary by the low Jovian gravity gradient, require a high rp and a low L 5/2/h ratio. Bounds on tether temperature again require a high rp and a low L 3/8/(tether emissivity)1/4 ratio. Optimal design values are discussed.