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After minimization, the temperature was gradually increased in 10 ps from 0 K to 300 K (6 K every 0.2 ps) with the protein atoms subject to harmonic constraints, followed by Langevin dynamics for 1 ns, during which the harmonic constraints were gradually lifted.
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The purpose of the present investigation is to determine the optimum cutting condition for the minimization of the temperature, force and surface roughness simultaneously during bone drilling.
A mathematical formulation and computational techniques are presented to describe optimal control and design strategies for the suppression of turbulent motions in the melt and the minimization of temperature gradients in the crystal in Czochralski crystal growth processes.
The temperature minimization goal is reinforced using a smart heuristic that guides 3D moves in the direction of placing power hungry blocks next to the heat sink.
The algorithm is based on the minimization of the average temperature on the base plate of heat sinks and then try to obtain the optimal design variables for vortex generators of pin-fin heat sinks.
Owing that the total heat load is considered fixed, the maximization of the heating performance translates into the minimization of the peak temperature ('hot spot') of the pipe wall.
Rigid body refinement of the positions of the VL VH and CL CH1 domain pairs, simulated annealing, energy minimization, and temperature factor refinement lowered the Rwork to 0.27 and Rfree to 0.33.
Following separate minimization of the solvent and intact system and regularization of the temperature (298 K) at constant volume and pressure, a 20 ns simulation at constant pressure and temperature (NPT) was used for equilibration.
The objective function is the simultaneous minimization of drilling temperature and thrust force.
Energy minimization and equilibrations were performed to remove the steric clashes and to set the temperature at 300 K and pressure at 1 atm using Berendsen thermostat coupling [ 34].
Following initial energy minimization and a 100-ps MD run, during which the protein atoms were position restrained, the temperature of solute and solvent was raised from 50 to 300 K in a stepwise manner.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com