“…4 This anomaly has historically been attributed to the onset of some additional diffusion mechanism contributing at high temperature. However, all such ad hoc assumptions have been ruled out, 10 and it is now believed that the vacancy mechanism alone is responsible for self-diffusion in bcc metals, as it is in fcc metals. The selfdiffusion rate D then depends on the vacancy concentration c v and the vacancy migration rate ⌫ v as…”
Section: Self-diffusion As a Thermally Activated Processmentioning
First-principles molecular-dynamics simulations based on a recently developed exchange-correlation functional show that self-diffusion in the refractory metal molybdenum is associated with strongly temperaturedependent activation energies for vacancy formation and migration. While static calculations of self-diffusion rates based on transition-state theory deviate systematically from experiments, with up to two orders of magnitude, the current results are accurate to within a mean deviation of 4 over the experimental range in temperature.
“…4 This anomaly has historically been attributed to the onset of some additional diffusion mechanism contributing at high temperature. However, all such ad hoc assumptions have been ruled out, 10 and it is now believed that the vacancy mechanism alone is responsible for self-diffusion in bcc metals, as it is in fcc metals. The selfdiffusion rate D then depends on the vacancy concentration c v and the vacancy migration rate ⌫ v as…”
Section: Self-diffusion As a Thermally Activated Processmentioning
First-principles molecular-dynamics simulations based on a recently developed exchange-correlation functional show that self-diffusion in the refractory metal molybdenum is associated with strongly temperaturedependent activation energies for vacancy formation and migration. While static calculations of self-diffusion rates based on transition-state theory deviate systematically from experiments, with up to two orders of magnitude, the current results are accurate to within a mean deviation of 4 over the experimental range in temperature.
“…A general theory for electromigration has been published before. [28] The force causing atom displacements is expressed as the sum of a direct electrostatic force and an electron-mediated "wind force". [28] The current densities required for Cu electromigration in bamboo-like CNTs were measured to be 3.07 × 10 6 A cm -2 .…”
mentioning
confidence: 99%
“…[28] The force causing atom displacements is expressed as the sum of a direct electrostatic force and an electron-mediated "wind force". [28] The current densities required for Cu electromigration in bamboo-like CNTs were measured to be 3.07 × 10 6 A cm -2 . [7] Regretfully, the maximum passing currents through the tubes during the present longitudinal or transverse Cu flows were not precisely measured in our experiments.…”
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