So you really haven't done a MD simulation.


所有跟贴·加跟贴·新语丝读书论坛

送交者: james_hussein_bond 于 2009-01-06, 19:54:48:

回答: 你这么看就明白了 由 008 于 2009-01-06, 19:44:34:

You can implement a microscopic bit-reversible molecular dynamics (so there is no round-off error), that is in contact with a thermostat (noise source). You run the simulation for a given length of time, then reverse the simulation. The reverse simulation will track the original system back in time for a little while, then suddenly run away. The length of time it stays with the original system depends on the Liapunov exponents of the system.

This is well-documented in the literature. In fact, if you have a MD code you can do it and see it for yourself. So molecular dynamics simulations with a thermostat is inherently irreversible.

I don't care what your physics models tell you. In real life all processes happen in an environment that is similar to a thermostat. So most of these processes are also irreversible.




所有跟贴:


加跟贴

笔名: 密码: 注册笔名请按这里

标题:

内容: (BBCode使用说明