| 101 |
|
\end{figure} |
| 102 |
|
|
| 103 |
|
RNEMD is preferable in many ways to the forward NEMD |
| 104 |
< |
methods\cite{ISI:A1988Q205300014,hess:209,backer:154503} because it |
| 105 |
< |
imposes what is typically difficult to measure (a flux or stress) and |
| 106 |
< |
it is typically much easier to compute momentum gradients or strains |
| 107 |
< |
(the response). For similar reasons, RNEMD is also preferable to |
| 108 |
< |
slowly-converging equilibrium methods for measuring thermal |
| 109 |
< |
conductivity and shear viscosity (using Green-Kubo |
| 104 |
> |
methods\cite{ISI:A1988Q205300014,hess:209,Vasquez:2004fk,backer:154503,ISI:000266247600008} |
| 105 |
> |
because it imposes what is typically difficult to measure (a flux or |
| 106 |
> |
stress) and it is typically much easier to compute momentum gradients |
| 107 |
> |
or strains (the response). For similar reasons, RNEMD is also |
| 108 |
> |
preferable to slowly-converging equilibrium methods for measuring |
| 109 |
> |
thermal conductivity and shear viscosity (using Green-Kubo |
| 110 |
|
relations\cite{daivis:541,mondello:9327} or the Helfand moment |
| 111 |
|
approach of Viscardy {\it et |
| 112 |
|
al.}\cite{Viscardy:2007bh,Viscardy:2007lq}) because these rely on |
