configurational enthalpy and statistical temperature

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1

Dear LAMMPS users ,

Greetings .

As you know in NPH ensemble we can calculate instantaneous enthalpy (ke+pe+p*v) that is different with enthalpy as a thermodynamic average , and also with using of thermo_style output we can have temperature at a fixed pressure .
Now my question is that if these two concepts are in fact equal to configurational enthalpy and statistical temperature or not ?
Actually these concepts are vague for me and I could not find any references to make it clear to me .

I would be grateful if you help me with it .

Best ,
Saeed.

2

Dear LAMMPS users ,

Greetings .

As you know in NPH ensemble we can calculate instantaneous enthalpy
(ke+pe+p*v) that is different with enthalpy as a thermodynamic average , and
also with using of thermo_style output we can have temperature at a fixed
pressure .
Now my question is that if these two concepts are in fact equal to
configurational enthalpy and statistical temperature or not ?
Actually these concepts are vague for me and I could not find any references
to make it clear to me .

this is not really a LAMMPS question.
you should consult with your adviser, or whoever brought this up,
or try a science related forum, e.g. http://physics.stackexchange.com/

I would be grateful if you help me with it .

please understand that the LAMMPS mailing list is not a classroom.

thanks,
     axel.