Engineering,
Journal Year:
2022,
Volume and Issue:
10, P. 99 - 109
Published: Feb. 24, 2022
Finding
energetic
materials
with
tailored
properties
is
always
a
significant
challenge
due
to
low
research
efficiency
in
trial
and
error.
Herein,
methodology
combining
domain
knowledge,
machine
learning
algorithm,
experiments
presented
for
accelerating
the
discovery
of
novel
materials.
A
high-throughput
virtual
screening
(HTVS)
system
integrating
on-demand
molecular
generation
models
covering
prediction
crystal
packing
mode
scoring
established.
With
proposed
HTVS
system,
candidate
molecules
promising
desirable
are
rapidly
targeted
from
generated
space
containing
25
112
molecules.
Furthermore,
study
structure
shows
that
good
comprehensive
performances
target
molecule
agreement
predicted
results,
thus
verifying
effectiveness
methodology.
This
work
demonstrates
new
paradigm
discovering
can
be
extended
other
organic
without
manifest
obstacles.
FirePhysChem,
Journal Year:
2021,
Volume and Issue:
2(2), P. 83 - 139
Published: Oct. 1, 2021
Energetic
material
is
a
very
essential
company
of
compounds,
widely
used
in
various
fields,
primarily
the
military
industry
and
space
technologies.
These
compounds
are
unique
that
they
capable
instantly
decomposing
to
release
enormous
energy.
The
chemical
diversity
energetic
organic
constantly
increasing
through
combination
high-nitrogen
frameworks
explosophoric
groups,
which
follows
overall
trend
interest
their
chemistry
applications.
scientific
community
looking
for
more
powerful
less
sensitive
external
impulses
both
civilian
use.
Herein,
detailed
overview
regarding
classic
novel
groups
frameworks,
as
well
description
selected
synthesis
target
has
been
given
time
period
since
2010.
physical
properties
performances
benchmark
prospective
also
collected.
Nature Communications,
Journal Year:
2022,
Volume and Issue:
13(1)
Published: Sept. 28, 2022
The
design
and
synthesis
of
novel
energetic
compounds
with
integrated
properties
high
density,
energy,
good
thermal
stability
sensitivities
is
particularly
challenging
due
to
the
inherent
contradiction
between
energy
safety
for
compounds.
In
this
study,
a
structure
4-amino-7,8-dinitropyrazolo-[5,1-d]
[1,2,3,5]-tetrazine
2-oxide
(BITE-101)
designed
synthesized
in
three
steps.
With
help
complementary
advantages
different
explosophoric
groups
diverse
weak
interactions,
BITE-101
superior
benchmark
explosive
HMX
all
respects,
including
higher
density
1.957
g·cm
Chemical Communications,
Journal Year:
2024,
Volume and Issue:
60(12), P. 1646 - 1649
Published: Jan. 1, 2024
A
series
of
nitrogen-rich
fused
energetic
materials
were
synthesized
from
commercially
available
inexpensive
starting
and
fully
characterized
using
1
H
13
C
NMR,
IR
spectroscopy,
elemental
analysis,
DSC.
Defence Technology,
Journal Year:
2021,
Volume and Issue:
17(6), P. 1995 - 2010
Published: Feb. 9, 2021
Heterocyclic
skeleton
(Azoles)
and
different
energetic
groups
containing
high
performing
explosives
are
highly
emerged
in
recent
years
to
meet
the
challenging
requirements
of
materials
both
military
civilian
applications
with
improved
performance.
For
this
purpose
tetrazole
(Azole)
is
identified
as
an
attractive
heterocyclic
backbone
functional
nitro
(-NO2),
nitrato
(-ONO2),
nitrimino
(-NNO2),
nitramino
(–NH–NO2)
replace
traditionally
used
explosives.
The
based
compounds
having
these
demonstrated
advanced
performance
(detonation
velocity
pressure),
densities,
heat
formation
(HOF)
became
a
potential
replacement
traditional
such
RDX.
This
review
presents
summary
recently
reported
nitro-tetrazole
poly-nitro,
di/mono-nitro,
nitrato/nitramino/nitrimino,
bridged/bis/di
groups,
describing
their
preparation
methods,
advance
properties,
further
high-performing
explosives,
especially
those
last
decade.
aims
provide
fresh
concept
for
designing
together
major
challenges
perspectives.
Nature Communications,
Journal Year:
2021,
Volume and Issue:
12(1)
Published: April 9, 2021
Abstract
Owing
to
its
simple
preparation
and
high
oxygen
content,
nitroformate
[
−
C(NO
2
)
3
,
NF]
is
an
extremely
attractive
oxidant
component
for
propellants
explosives.
However,
the
poor
thermostability
of
NF-based
derivatives
has
been
unconquerable
barrier
more
than
150
years,
thus
hindering
application.
In
this
study,
first
example
a
nitrogen-rich
hydrogen-bonded
organic
framework
(HOF-NF)
designed
constructed
through
self-assembly
in
energetic
materials,
which
NF
anions
are
trapped
pores
resulting
via
dual
force
ionic
hydrogen
bonds
from
strengthened
framework.
These
factors
lead
decomposition
temperature
HOF-NF
moiety
being
200
°C,
exceeds
challenge
thermal
stability
over
180
°C
time
among
compounds.
A
large
number
compounds
with
stabilities
excellent
properties
can
be
synthesized
on
basis
work.
