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pair_eim3.tex
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Fri, Nov 15, 21:09
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text/x-tex
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Sun, Nov 17, 21:09 (2 d)
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rLAMMPS lammps
pair_eim3.tex
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\documentstyle
[12pt]
{
article
}
\begin
{
document
}
\begin
{
eqnarray*
}
\phi
_{
ij
}
\left
(r
\right
) =
\left\{
\begin
{
array
}{
lr
}
\left
[\frac{E_{b,ij}\beta_{ij}}{\beta_{ij}-\alpha_{ij}}\exp\left(-\alpha_{ij} \frac{r-r_{e,ij}}{r_{e,ij}}\right)-\frac{E_{b,ij}\alpha_{ij}}{\beta_{ij}-\alpha_{ij}}\exp\left(-\beta_{ij} \frac{r-r_{e,ij}}{r_{e,ij}}\right)\right]
f
_
c
\left
(r,r
_{
e,ij
}
,r
_{
c,
\phi
,ij
}
\right
),
&
p
_{
ij
}
=1
\\
\left
[\frac{E_{b,ij}\beta_{ij}}{\beta_{ij}-\alpha_{ij}} \left(\frac{r_{e,ij}}{r}\right)^{\alpha_{ij}} -\frac{E_{b,ij}\alpha_{ij}}{\beta_{ij}-\alpha_{ij}} \left(\frac{r_{e,ij}}{r}\right)^{\beta_{ij}}\right]
f
_
c
\left
(r,r
_{
e,ij
}
,r
_{
c,
\phi
,ij
}
\right
),
&
p
_{
ij
}
=2
\end
{
array
}
\right
.
\end
{
eqnarray*
}
$$
\eta
_{ji}
=
A_{
\eta
,ij}
\left
(
\chi
_j
-
\chi
_i
\right
)
f_c
\left
(
r,r_{s,
\eta
,ij},r_{c,
\eta
,ij}
\right
)
$$
$$
\psi
_{ij}
\left
(
r
\right
)
=
A_{
\psi
,ij}
\exp\left
(-
\zeta
_{ij}r
\right
)
f_c
\left
(
r,r_{s,
\psi
,ij},r_{c,
\psi
,ij}
\right
)
$$
$$
f_{c}
\left
(
r,r_p,r_c
\right
)
=
0
.
510204
erfc
\left
[
\frac
{
1
.
64498
\left
(
2
r
-
r_p
-
r_c
\right
)
}{r_c
-
r_p}
\right
]
-
0
.
010204
$$
\end
{
document
}
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