Physical Chemistry Chemical Physics,
Год журнала:
2024,
Номер
26(23), С. 16859 - 16870
Опубликована: Янв. 1, 2024
A
highly
piezochromic
co-crystal
of
the
energetic
molecule
NTO
with
bipyridine.
Colour
change
attributed
to
direct
compresion
crystal
lattice.
No
phase
transition
observed
between
0–8
GPa.
Impact
sensitivity
reduced
compared
NTO.
RSC Advances,
Год журнала:
2022,
Номер
12(48), С. 31282 - 31292
Опубликована: Янв. 1, 2022
The
model
predicts
impact
sensitivity
of
mono-molecular
crystals
with
90%
accuracy
on
a
log-scale,
the
ability
to
discriminate
polymorphs,
but
it
does
not
transfer
well
cocrystals.
The Journal of Physical Chemistry A,
Год журнала:
2021,
Номер
125(35), С. 7723 - 7734
Опубликована: Авг. 2, 2021
A
long-held
belief
is
that
shock
energy
induces
initiation
of
an
energetic
material
through
indirect
up-pumping
mechanism
involving
phonon
scattering
doorway
modes.
In
this
paper,
a
3-phonon
theoretical
analysis
in
RDX
presented
involves
both
direct
and
pathways
where
the
transfer
dominates.
The
calculation
considers
individual
modes
which
are
then
analyzed
bands.
Scattering
handled
up
to
third
order
term
Hamiltonian
based
on
Fermi's
Golden
Rule.
On
average,
with
frequencies
90
cm-1
scatter
quickly
redistribute
all
This
stimulation
occurs
rapidly,
within
0.16
ps,
distortions
NN
bonds.
Modes
from
1839
further
up-pump
bond
distortion
route
5.6
ps.
highest
frequency
have
lowest
contribution
due
their
lower
participation
phonon-phonon
scattering.
stimulated
directly
by
estimated
account
for
52
89\%
total
various
distorting
Crystal Growth & Design,
Год журнала:
2023,
Номер
23(8), С. 6161 - 6171
Опубликована: Июль 3, 2023
Studies
on
the
physicomechanical
properties
of
commonly
used
energetic
materials
(EMs)
that
were
pursued
by
group
led
Professor
John
Sherwood
are
reviewed
in
this
paper.
The
studies
ranged
from
growth
high
quality
single
crystals
and
characterization
their
defect
dislocation
structures,
mechanical
testing,
through
to
study
polymorphism
EM
fundamental
aspects
crystallization
processes
general.
work
performed
definition
good
conditions
for
all
EMs
studied
full
structure,
slip
systems,
hardness
cyclotrimethylene
trinitramine
(RDX)
pentaerythritol
tetranitrate
(PETN).
Partial
structures
cyclotetramethylene
tetranitramine
(HMX)
2,4,6-trinitrotoluene
(TNT)
was
also
achieved.
Additionally,
crystal
polymorph
information
defined,
allowing
a
deeper
understanding
structure
TNT.
In
addition
general
review,
some
thoughts
given
as
possible
future
routes
further
could
suitably
utilize
complementary
nature
established
modern
techniques.
Physical Chemistry Chemical Physics,
Год журнала:
2023,
Номер
25(46), С. 31646 - 31654
Опубликована: Янв. 1, 2023
Herein
we
report
the
first
high-pressure
study
of
energetic
material
3,4,5-trinitro-1
H
-pyrazole
(3,4,5-TNP)
using
neutron
powder
diffraction
and
single-crystal
X-ray
diffraction.
Physical Chemistry Chemical Physics,
Год журнала:
2024,
Номер
26(23), С. 16859 - 16870
Опубликована: Янв. 1, 2024
A
highly
piezochromic
co-crystal
of
the
energetic
molecule
NTO
with
bipyridine.
Colour
change
attributed
to
direct
compresion
crystal
lattice.
No
phase
transition
observed
between
0–8
GPa.
Impact
sensitivity
reduced
compared
NTO.