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Article history:
Received 11 May 2012
Received in revised form 27 January 2013
Available online 21 February 2013
Keywords:
Ultra-high-performance concrete
Dynamic loading
Phase transformation
Microstructure
Energy dissipation
Load-carrying capacity
a b s t r a c t
The effect of the a-quartz-to-coesite silica phase transformation on the load-carrying and energy-dissipation capacities of ultra-high-performance concrete (UHPC) under dynamic loading with hydrostatic
pressures of up to 10 GPa is evaluated. The model resolves essential deformation and failure mechanisms
and provides a phenomenological account of the transformation. Four modes of energy dissipated are
tracked, including inelastic deformation, distributed cracking, interfacial friction, and the energy dissipated through transformation of the quartz aggregate. Simulations are carried out over a range of volume
fractions of the constituent phases. Results show that the phase transformation has a signicant effect on
the energy-dissipation capacity of UHPC for the conditions studied. Although transformation accounts for
less than 2% of the total energy dissipation, the transformation leads to a twofold increase in the crack
density and yields almost an 18% increase in the overall energy dissipation. Structure-response relations
that can be used for materials design are established.
2013 Elsevier Ltd. All rights reserved.
1. Introduction
Ultra high-performance concrete (UHPC) is often used in structures that are intended to provide protection against a variety of
threat scenarios, including blast and impact (Cavil et al., 2006).
These intense loading regimes lead to elevated temperatures and
pressures. Under such conditions, the material constituents can
change phase, which can drastically alter the dynamic response
of the material. Understanding the mechanical behavior alone,
however, is not enough to characterize a material in these loading
regimes. Dynamic loading of UHPC is inherently a coupled multiphysics process involving mechanical, thermal, and phase transformation behavior.
The mechanical aspects, including fracture, friction, and bulk
granular ow, lead to internal temperature rises within a UHPC
structure and hydrostatic pressures on the order of multiple GPa.
These internal temperature rises and large pressures within UHPC
can induce phase transformations in the constituents (Wang et al.,
2010). One such transformation is the solid-state transformation of
quartz from the a-quartz phase to the coesite phase. It should be
noted that this transformation has not been fully quantied
experimentally and further investigation is still needed. Increased
Corresponding author at: The George W. Woodruff School of Mechanical
Engineering, Georgia Institute of Technology, Atlanta, GA 30332-0405, USA. Tel.: +1
404 894 3294.
E-mail address: min.zhou@gatech.edu (M. Zhou).
0020-7683/$ - see front matter 2013 Elsevier Ltd. All rights reserved.
http://dx.doi.org/10.1016/j.ijsolstr.2013.01.042
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J.J. Buck et al. / International Journal of Solids and Structures 50 (2013) 18791896
2010; Omer, 2007; Naus, 2010; Handoo et al., 2002). More recent
work has attempted to bridge the gap between mass transport
properties and mechanical properties by simulating the damage
initiation in UHPC exposed to rapid heating (Lammi et al., 2011).
Numerical simulations of dynamic loading of UHPC at the microstructural scale have been performed that included an explicit account of the quartz aggregate, along with various other phases,
including porosity, steel bers, and the cementitious matrix (Aragao et al., 2010; Lammi et al., 2011; Ellis et al., 2012).
The authors are presently unaware of any work reported in the
literature that accounts for phase change within UHPC at the mesostructural level with the ultimate goal of characterizing the
mechanical behavior of the material under high strain-rate dynamic loading. Analysis techniques capable of capturing the coupled nature of the material response are needed to inform the
design of UHPC structures that must to be resilient to extreme
loading environments. Before UHPC structures can be tailored to
specic applications, the behavior of each constituent during energetic blast and impact events, which induce very high strain-rate
deformation, must be well characterized.
In a companion work (Buck et al., 2012), a parametric study was
performed to assess the effects of microstructure phase volume
fractions on the dynamic mechanical behavior of UHPC without
thermal or phase transformational considerations. Results showed
that the volume fractions of the constituents have more inuence
on the energy dissipation than the load-carrying capacity, inelastic
deformation is the source of over 70% of the energy dissipation,
and the presence of porosity changes the role of bers in the dissipation process. The goal of the present study is to address both
the mechanical and transformational aspects of the deformation
process. In particular, one aim of this paper is to quantify the effect
of the a-quartz-to-coesite phase transformation in UHPC subject to
energetic impact events. This will be accomplished by comparing
the load-carrying and energy-dissipation capacities in UHPC with
and without the inclusion of a phenomenological model capable
of phenomenologically capturing the effects of the aforementioned
phase transformation. As part of the analysis, the development and
validation of the phenomenological model are discussed. Finally,
updated microstructure performance-relation maps are developed
to account for the effect of phase transformation of quartz on the response of the UHPC analyzed. The same micromechanical cohesive
nite element model (CFEM) used in the rst part of this study
(Buck et al., 2012) is adopted to allow explicit resolution of the constituents in the concrete microstructure, including the cementitious
matrix, aggregate, bers, and voids. The model also allows explicit
account of crack formation and frictional interaction between crack
surfaces that come into contact under compression. The volume
fractions of phases of the microstructure are systematically varied
to delineate the effects of each material constituent. This approach
enables the contributions of different dissipation mechanisms (bulk
inelasticity, fracture/crack formation, and interfacial friction) to be
tracked and quantied. The simulations are carried out at strain
rates on the order of 105 s1 and pressures between 1 and 10 GPa.
Fig. 1. Cohesive nite element model for UHPC microstructures with four constituent phases of UHPC, imposed velocity, periodic boundary conditions, cohesive
elements, and innite elements.
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J.J. Buck et al. / International Journal of Solids and Structures 50 (2013) 18791896
F t p tanb d 6 0;
where
"
3 #
1
1
1
r
:
q 1 1
2
K
K
q
G t p tanw;
where w is the dilation angle. After yielding, a material with nonassociated ow has the rate of plastic deformation tensor
Dpl
e_ pl @G
;
c @r
e_ pl
r
2 pl
D : Dpl
3
and
c 1
1
tan w:
3
The values used for the parameters in the DruckerPrager constitutive relation are provided in Table 1 (Swamy and Mangat,
1974).
Table 1
Parameters used in the DruckerPrager constitutive
relation.
Density (g/cm3)
2.4
22.9
0.2
40
28
20
0.8
Fig. 2. DruckerPrager yield criterion (a) in tp plane, and (b) in the p-plane Abaqus v6.10 Theory Manual, 2010.
1882
J.J. Buck et al. / International Journal of Solids and Structures 50 (2013) 18791896
0.4
160
0.3
140
120
-Quartz
0.2
Coesite
100
80
E (GPa)
0.1
0
0
where cij are the components of the elastic stiffness tensor. The Voigt shear modulus GV is dened as
15GV c11 c22 c33 c12 c23 c31 3c44 c55 c66 ;
where sij are the components of the elastic compliance tensor. The
Reuss shear modulus GR is dened as
10
K VRH
KR KV
:
2
11
GVRH
GR GV
:
2
12
y ay c c:
13
a 0 0
a 07
5 aI:
0 a
@y 6
F
40
@y
0
tr
14
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J.J. Buck et al. / International Journal of Solids and Structures 50 (2013) 18791896
Table 2
VoigtReussHill average stiffness values for a-quartz and coesite at key pressure values.
Pressure (GPa)
KV (GPa)
KR (GPa)
KVRH (GPa)
GV (GPa)
GR (GPa)
GVRH (GPa)
E (GPa)
0.0 (1 atm)
2.35
2.35
10.00
38.11
47.37
106.37
133.21
37.65
46.74
100.22
127.97
37.88
47.06
103.29
130.59
48.07
49.55
59.47
60.97
41.38
43.48
51.52
50.40
44.73
46.52
55.49
55.68
96.29
104.96
141.19
146.26
0.08
0.13
0.27
0.31
dV
det Ftr a3 0:9118:
dV
15
Therefore, a = 0.9697.
The total deformation gradient is
F aI Fel aFel :
16
17
where V is the left stretch tensor. Finally, the Cauchy stress r, or the
true stress in the nal state, is calculated in incremental form
according to
dr C : deL ;
18
where C is the fourth-order elastic stiffness tensor for quartz. To calculate the Cauchy stress at the i + 1th time step, the Cauchy stress
increment is simply added to the previous Cauchy stress, i.e.,
ri1 ri dr:
19
The above constitutive relations are implemented in the Abaqus/Explicit user material subroutine VUMAT (Abaqus v6.10 Theory Manual, 2010). To verify the proper implementation of the
constitutive relations, the behavior of a block of a-quartz under
uniform hydrostatic pressure is analyzed. Equal pressure loads
are applied to ve of the six faces of the cube, with the rear face
xed in the Z direction, creating a hydrostatic compression state
of stress in the material. The load increases gradually from 0 to
9 GPa so that the behavior of the cube can be clearly observed both
before and after the transition pressure of 2.35 GPa.
The behavior of the unit cube can be seen in Fig. 5(a), which
shows the hydrostatic pressure as a function of uniaxial strain.
Due to the symmetry of the model, all strain components are equal,
as the strain represents the strain in any direction. A key observation from the gure is that, when the transition pressure of
2.35 GPa is reached, the hydrostatic pressure remains nearly
constant as the transformation occurs and the volume contracts.
e_p
r ep ; e_ p ; T A Bep n 1 Clog _
e0
1
T T tr
T m T tr
m
:
20
J.J. Buck et al. / International Journal of Solids and Structures 50 (2013) 18791896
10
Normalized Volume
1884
8
6
4
2
0
-0.12
-0.08
-0.04
0.9
0.8
0.7
Strain
100
200
300
400 500
(b)
(a)
Fig. 5. Validation of the phase transformation algorithm through the consideration of the response of a unit cube under hydrostatic pressure: (a) hydrostatic pressure as a
function of radial strain, and (b) unit cube volume as a function of time with and without transformation.
1 2
K nn
tn
B C 6
t
@ s A 40
0
tt
Table 3
Parameters used in JohnsonCook model for
reinforcing steel bers.
Density (g/cm3)
Youngs modulus E (GPa)
Poissons ratio (m)
A (MPa)
B (MPa)
n
C
Troom (K)
Tmelt (K)
m
e_ 0 (s1)
Specic heat (J/kg K)
7.8
203
0.28
792
510
0.26
0.014
300
1793
1.03
1
477
t Ku:
21
tn
K nn
B C 6
@ ts A 4 K ns
tt
K nt
K ns
K ss
K st
K nt
30
un
7B C
K st 5@ us A:
K tt
ut
22
0
K ss
0
1
un
7B C
0 5@ us A:
K tt
ut
0
30
23
ht n i
t 0n
!2
t5
0
t5
!2
tt
0
tt
!2
1:
24
G G g
S
t
GCn GCS GCn
GC :
Gn GS Gt
25
J.J. Buck et al. / International Journal of Solids and Structures 50 (2013) 18791896
1885
Cement
Quartz aggregate
Cement-aggregate interface
Cement-ber interface
Kn (TPa)
Ks/t (TPa)
t0n (MPa)
22.9
9.5
40.0
96.6
44.7
50.0
22.9
9.5
10.0
22.9
9.5
10.0
t0s=t (MPa)
25.0
40.0
6.0
6.0
Gcn (J/m2)
Gcs=t (J/m2)
40.0
40.0
15.0
15.0
5.0
5.0
5.0
5.0
1.45
1.45
1.45
1.45
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J.J. Buck et al. / International Journal of Solids and Structures 50 (2013) 18791896
20
x2 (mm)
15
10
-Quartz
0 1 2 3 4 5
x1 (mm)
(a)
(b)
(c)
Fig. 6. Phase transition of quartz aggregate as deformation progresses at: (a) 0.5 ls,
(b) 3.0 ls, and (c) 6.0 ls.
Fig. 7. Ratio between the load-carrying capacity for cases with quartz phase transformation and the load-carrying capacity for cases without transformation (baseline cases)
for microstructures with (a) 10% aggregate, (b) 20% aggregate, (c) 30% aggregate, and (d) 40% aggregate.
J.J. Buck et al. / International Journal of Solids and Structures 50 (2013) 18791896
1887
Fig. 8. Ratio between total energy dissipation for cases with quartz phase transformation and the total energy dissipation for cases without transformation (baseline cases)
for microstructures with (a) 10% aggregate, (b) 20% aggregate, (c) 30% aggregate, and (d) 40% aggregate.
1888
J.J. Buck et al. / International Journal of Solids and Structures 50 (2013) 18791896
Etr
Ep
Ef
E/Etotal
0.8
0.6
Ep
0.4
Ef
0.2
Ed
Ed
0
0
0.1
0.2
0.3
Strain
(a)
(b)
Fig. 9. Evolution of the energy dissipated through different mechanisms in a microstructure with 40% aggregate, 0% porosity, and 0% bers for simulations (a) with quartz
phase transformation and (b) without quartz phase transformation.
Fig. 10. Ratio between the energy dissipated through damage for cases with quartz phase transformation and the energy dissipated through damage for cases without the
phase transformation (baseline cases) for microstructures with (a) 10% aggregate, (b) 20% aggregate, (c) 30% aggregate, and (d) 40% aggregate.
J.J. Buck et al. / International Journal of Solids and Structures 50 (2013) 18791896
1889
Fig. 11. Fraction of energy dissipated through damage and fraction of energy dissipated through fracture (intra-cement, intra-quartz, and along cement-quartz interfaces) in
microstructures with 40% aggregate, 0% bers, and (a) 0% porosity without phase transformation, (b) 0% porosity with phase transformation, (c) 5% porosity without phase
transformation, and (d) 5% porosity with phase transformation.
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J.J. Buck et al. / International Journal of Solids and Structures 50 (2013) 18791896
dently. The relative magnitudes of the different forms of dissipation may be different if, say, the material constitutive relation is
changed. In particular, an uncapped DruckerPrager relation is
used here for the cementitious matrix and the aggregate. If a
capped model is used instead, quantications different from what
is reported here may be obtained. In the model of this paper, both
shear failure and crushing failure within the bulk matrix material
are considered. Crushing can occur through the collapse of voids/
porosity 100 lm in size at different volume fractions these voids
are explicitly modeled, i.e., there are no nite elements in the regions of the voids. Only pores below this size are implicitly considered in the DruckerPrager constitutive relation. It would be
interesting and worthwhile in the future to study how different
forms of dissipation change as material constitutive behavior or
relation is changed (e.g., a capped DruckerPrager relation is used).
Here, we focus on a framework for establishing microstructureperformance relations, as detailed in Section 4.3 below, with a particular set of constitutive relations.
4.2.5. Effect of phase transformation on energy dissipated through
inelastic deformation
The ratio of the inelastic energy dissipation calculated from the
transformation-enabled simulations to that as calculated from the
baseline simulations is shown in Fig. 14. For the sake of brevity,
this ratio will be referred to as the inelastic dissipation ratio.
The quartz phase transformation can decrease the energy dissipated through inelastic deformation by up to 9.3% compared to
the baseline results. At a given aggregate volume fraction, the
inelastic dissipation ratio is highest at low porosity volume fractions and high ber volume fractions. In particular, the highest
inelastic dissipation ratio of 0.99 is at 10% aggregate, 0% porosity,
and 7.5% bers. The lowest is seen at 40% aggregate, 5% porosity,
and 0% bers.
Fig. 12. Ratio of scalar crack density parameter between simulations accounting for quartz phase transformation and the baseline simulations without the phase
transformation; (a) 10% aggregate, (b) 20% aggregate, (c) 30% aggregate, and (d) 40% aggregate.
J.J. Buck et al. / International Journal of Solids and Structures 50 (2013) 18791896
1891
Fig. 13. Ratio of energy dissipated through interfacial friction between simulations accounting for quartz phase transformation and baseline simulations without the phase
transformation; (a) 10% aggregate, (b) 20% aggregate, (c) 30% aggregate, and (d) 40% aggregate.
Fig. 14. Ratio of energy dissipated through inelastic deformation between simulations accounting for quartz phase transformation and baseline simulations without the
phase transformation; (a) 10% aggregate, (b) 20% aggregate, (c) 30% aggregate, and (d) 40% aggregate.
1892
J.J. Buck et al. / International Journal of Solids and Structures 50 (2013) 18791896
0.085
95% C.I.
fit
(a)
0.1
1.35
(b)
0.075
(c)
1.25
0.08
0.07
tn/tmatrix
n
0.09
Etotal/W
(Etotal/W) x (tn/tmatrix
)
n
0.11
0.065
0.055
1.15
1.05
0.06
R2 = 0.98
0.05
0.05 0.06 0.07 0.08 0.09 0.1 0.11
R 2 = 0 .9 7
0.045
0.045 0.055 0.065 0.075 0.085
0.95
0.95
R2 = 0.98
1.05
1.15
1.25
1.35
Fig. 15. Microstructure-performance relation map relating (a) energy-dissipation and load-carrying capacities to volume fractions of constituents, (b) energy-dissipation
capacity to volume fractions of constituents, and (c) load-carrying capacity to volume fractions of constituents.
1
0.1
4
0.11
0.1
0.09
0.08
5 0.07
30
Va
f (% 20
)
10
5
0
40
0.07
Va
f (% 20
)
Vf
0.05
(a)
0.08
5
2.5 p (%) 0.06
30
0.09
Vff (%)
Vff (%)
10
5
0
40
Vf
10 0
0.05
(b)
5
0.09
0.075
0.065
5
0.055
30
Va
f (% 20
)
0.07
5
30
2.5 p (%)
Va
f (% 20
)
Vf
10 0
0.08
10
5
0
40
Vff (%)
Vff (%)
10
5
0
40
0.045
(c)
2.5 p %)
(
10 0
0.05
(d)
1.4
1.35
Vff (%)
1.2
30
Va
20
f (%
)
2.5 p (%
1.1
Vf
10 0
(e)
1.25
10
5
0
40
Vff (%)
1.3
10
5
0
40
0.06
Vf
1.15
5
30
Va
f (% 20
)
2.5 p %)
(
1.05
Vf
10 0
0.95
(f)
Fig. 16. Values of performance parameters shown over the microstructure design space: (a) g1, (b) g2, (c) g3, (d) g4, (e) g5, and (f) g6.
1893
J.J. Buck et al. / International Journal of Solids and Structures 50 (2013) 18791896
4 = 0.1
)
(Etotal/W) x (tn/tmatrix
n
0.11
0.1
0.09
0.08
4 = 0.08
0.07
0.06
0.05
0.05 0.06 0.07 0.08 0.09 0.1 0.11
4
4 = 0.06
Fig. 17. Constituent volume fractions that satisfy three different values of the combined performance parameter g4.
5 = 0.065
5 = 0.075
5 = 0.055
!
ETotal
tn
0:049
matrix g4
2:8
2:1 ;
W
a 0:76
tn
1 Vf
1 Vp
1 V
f
26
which provides the best description of the correlation among dissipation, loading carried, and microstructure. In the above relation, as
well as in Eqs. (27) and (28) below, V af , V ff , and V pf refer to the
volume fractions of aggregate, bers, and porosity, respectively.
The chart in Fig. 15(a) can be used to select a desired microstructure
setting for any given combination of load-carrying capacity and energy-dissipation capacity. The relations also illustrate the trade-offs
between energy dissipation and strength in microstructure design.
Fig. 15(b) relates the energy-dissipation capacity to the volume
fractions of constituents. The parameter that provides the best
description of the correlation between the dissipation and microstructure is
ETotal
0:049
g5
0:45
1:6
2:9 :
W
a
1 V ff
1 V pf
1 Vf
27
tn
tmatrix
n
Fig. 18. Isosurfaces for the g5 parameter with shading indicating the value of the g6
parameter within the design space used in this study.
0:81
0:99 1 V pf
g6
0:45
1:6 :
1 V af
1 V ff
28
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J.J. Buck et al. / International Journal of Solids and Structures 50 (2013) 18791896
6 = 1.15
6 = 1.05
6 = 1.25
Fig. 19. Isosurfaces for the g6 parameter with shading indicating the value of the g5
parameter within the design space used in this study.
Fig. 20. Boundaries of g5 and g6 for the range of constituent volume fractions
considered in this study.
J.J. Buck et al. / International Journal of Solids and Structures 50 (2013) 18791896
1895
Fig. 21. Illustration of a microstructure design tool based on the Inductive Design Exploration Method (IDEM) that allows users to select the performance parameters
independently and shows the portion of the design space that meets or exceeds the specied performance criteria for (a) g4 = 0.0584 and g6 = 0.95, (b) g4 = 0.07083 and
g6 = 0.95, (a) g4 = 0.05525 and g6 = 1.1227.
Acknowledgements
This research was sponsored by the US Department of Homeland Security, Science and Technology Directorate, Infrastructure
Protection and Disaster Management Division: Ms. Mila Kennett,
Program Manager. The research was performed under the direction
of Dr. Beverly P. DiPaolo, Engineering Research and Development
Center (ERDC), US Army Corps of Engineers. Permission to publish
was granted by the Director, Geotechnical and Structures Laboratory, ERDC. Approved for public release; distribution is unlimited.
This research is part of a basic research demonstration project
on improvised explosive device effects and is performed in collaboration with the ERDC Geotechnical and Structures Laboratory
(GSL), Oak Ridge National Laboratory, and Sandia National
Laboratories.
Views expressed are solely those of the authors and do not necessarily reect the opinions or policy of the US Department of
Homeland Security, the US Army Corps of Engineers, or any other
agency of the US Government, and no ofcial endorsement should
be inferred.
The authors would also like to thank Brett Ellis and Chris Lammi
for their contributions to the development of the concrete structure instantiation code used in this study. MZ also acknowledges
support from the National Research Foundation of Korea through
WCU Grant No. R31-2009-000-10083-0 at Seoul National
University where he is a World Class University (WCU) Professor.
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J.J. Buck et al. / International Journal of Solids and Structures 50 (2013) 18791896
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