<s>
ReaxFF	B-Algorithm
(	O
for	O
“	O
reactive	O
force	O
field	O
”	O
)	O
is	O
a	O
bond	O
order-based	O
force	O
field	O
developed	O
by	O
Adri	O
van	O
Duin	O
,	O
William	O
A	O
.	O
Goddard	O
,	O
III	O
,	O
and	O
co-workers	O
at	O
the	O
California	O
Institute	O
of	O
Technology	O
.	O
</s>
<s>
explicitly	O
)	O
,	O
ReaxFF	B-Algorithm
eschews	O
explicit	O
bonds	O
in	O
favor	O
of	O
bond	B-Algorithm
orders	I-Algorithm
,	O
which	O
allows	O
for	O
continuous	O
bond	O
formation/breaking	O
.	O
</s>
<s>
ReaxFF	B-Algorithm
aims	O
to	O
be	O
as	O
general	O
as	O
possible	O
and	O
has	O
been	O
parameterized	O
and	O
tested	O
for	O
hydrocarbon	O
reactions	O
,	O
alkoxysilane	O
gelation	O
,	O
transition-metal-catalyzed	O
nanotube	O
formation	O
,	O
and	O
many	O
advanced	O
material	O
applications	O
such	O
as	O
Li	O
ion	O
batteries	O
,	O
TiO2	O
,	O
polymers	O
,	O
and	O
high-energy	O
materials	O
.	O
</s>
<s>
To	O
be	O
able	O
to	O
deal	O
with	O
bond	O
breaking	O
and	O
formation	O
whilst	O
having	O
only	O
1	O
single	O
atom	O
type	O
for	O
each	O
element	O
,	O
ReaxFF	B-Algorithm
is	O
a	O
fairly	O
complex	O
force	O
field	O
with	O
many	O
parameters	O
.	O
</s>
