Problems about Fix evaporate command_the temperaure in this area jump higher

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1

Dear Sir/Madam,
Excuse me,I am in trouble with “fix evaporate command” when simulating a fluid flow.The whole process of flow is under nve ensemble.The command is as follows:

                                    "fix deleteatom argon evaporate 10 1  atomsink 8899"

    I hope to delete 1 particle every 10fs at the export without affecting the temperature of fluid in this   region .   Unfortunately,  the temperature jump to a high level .How could I achieve this step -only "delete 1 particle every 10fs  " without this unfavorable influence under natural condions? Other effective command or How to modify the "fix_evaporate.cpp“？

         Thank you for your reply!

                                                                                                                                          Youwei Gu

                                                                                                                   From Tsinghua University
2

Dear Sir/Madam,
    Excuse me,I am in trouble with "fix evaporate command" when simulating a
fluid flow.The whole process of flow is under nve ensemble.The command is as
follows:

                                    "fix deleteatom argon evaporate 10 1
atomsink 8899"

    I hope to delete 1 particle every 10fs at the export without affecting
the temperature of fluid in this region . Unfortunately, the
temperature jump to a high level .How could I achieve this step -only
"delete 1 particle every 10fs " without this unfavorable influence under
natural condions? Other effective command or How to modify the
"fix_evaporate.cpp“？

you are asking the wrong question here.

if you just punch a "hole" in your system, you *have* to expect some
kind of implosion happening. how much of a change that actually is
depends on many factors (e.g.: strength of interactions and number of
atoms).

if you do not want to have any change to the kinetic energy, you must
not change the potential energy of the remaining atoms and *that* is
only possible, if you delete an atom that has no significant
interactions with its neighbors.

axel.