Brownian dynamics simulations also known as BDS, is a computer-based simulation technique were a pre-design system is allowed to respond to any given configuration (in this case to an applied external forces/torque) to study the interaction inside the system. These interactions allowed the system to respond instantaneously to the given configuration, which causes the system to adopt a new arrangenment. Then the position, the velocity, the diffusivity and the displacement in this new arrangenment are recalculated. The sequence of such steps simulates the progressive change of system in time,however, even in absence of an external force/torque between components the system will still evolve from one configuration to the other due to molecular interaction call Brownian motion. The Brownian motion is represented in a simulation of particles suspended in a fluid as random collitions acting on each particle. This process is used in different branches of science as colloidal science, material science, etc.
We use this technology to study a similar system with a catalytically particle. We are focus in the behavior of a catalytically particle suspended in a fluid with bath particles with an applied external force/torque to restrict his movement were we can calculate it’s position, velocity, diffusivity and the mean square displacement. With all this information we intend to provide to the world of science the theoretical framework with models, descriptions and a vast of numerical tools were we can matirialized the idea of nanomachines into reality, like for example the process of drug delivery at nano-scale, improve microprocessors and other applications. After acquire all the necesary knowledge we can improve the world of nanotechnology.
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Jose A. Rodriguez