0018-151X/03/4104- $25.00 © 2003 MAIK “Nauka / Interperiodica” 0447
High Temperature, Vol. 41, No. 4, 2003, pp. 447–458. Translated from Teplofizika Vysokikh Temperatur, Vol. 41, No. 4, 2003, pp. 515–526.
Original Russian Text Copyright © 2003 by Lomonosov, Fortov, Frolova, Khishchenko, Charakhch’yan, Shurshalov.
INTRODUCTION
The study of polymorphous transformations of car-
bon in shock waves [1–17] is of special interest from
the standpoint of the development of dynamic methods
of synthesis of superhard materials [17]. In this paper,
we treat one of the possible new approaches to the pro-
duction of artificial diamonds, which was suggested
previously [18]. This approach is based on the use of
conic solid-state targets similar to those employed in
problems associated with controlled thermonuclear
fusion [19, 20]. The initial results of numerical simula-
tion [18] were obtained disregarding the graphite-to-
diamond transformation and pertained only to the study
of the cumulative effect arising in the initial stage of the
process of compression. We used new semiempirical
wide-range equations of state for polymorphous modi-
fications of carbon, as well as various models of the
kinetics of phase transformation of graphite to dia-
mond. The investigation was largely performed using
the kinetic parameters obtained as a result of experi-
ments with highly oriented quasi-single-crystal graph-
ite [10]. Some calculations were performed within a
model corresponding to experiments with isotropic
artificial graphite [9]. All stages of the process were
simulated, including the unloading. Conic targets of
two types were involved, namely, those with a closed
recess and with a cone smoothly changing to a channel.
Note some features of real flow which are disre-
garded in the formulation of the problem. The differ-
ence between standard cubic diamond [1, 2] and hexag-
onal modification of diamond (lonsdaleite) [4] is disre-
garded, as well as the reverse transformation of
diamond to graphite (graphitization) [6, 11] and the
effect of thermal conductivity. Nevertheless, the sug-
gested model enables one to investigate the dependence
of the main characteristics of flow on the parameters of
the problem and make a sound choice of such parame-
ters during experiments.
EQUATIONS OF STATE FOR GRAPHITE
AND DIAMOND
In the case of numerical simulation of unsteady-
state hydrodynamic processes, one needs to know the
thermodynamic properties of the medium. The
employed equations of state for materials largely define
the reliability of the calculation results. Given below is
the model of semiempirical equations of state which we
used to describe the thermodynamic characteristics of
polymorphous modifications of carbon in a wide range
of density and temperature in the phase diagram.
The free energy F , selected as the thermodynamic
potential of graphite and diamond, is represented in the
form of the sum of three terms defining the elastic part
of interaction at T = 0 ä (F
c
) and the thermal contribu-
tion of atoms (F
a
) and electrons (F
e
) [21],
(1)
The first and last components in Eq. (1) have differ-
ent forms for each solid phase, and the third component
has the same forms.
The volume dependence of the energy of elastic
interaction of diamond upon compression σ
c
1
(where σ
c
= V
0c
/V and V
0c
is the specific volume of
crystal at P = 0 and T = 0 K) has a conventional form
[22] of expansion in powers of inverse interatomic
FVT , ( 29 F
c
V ( 29 F
a
VT , ( 29 F
e
VT , ( 29 . + + =
THERMOPHYSICAL PROPERTIES
OF MATERIALS
The Simulation of Transformation of Graphite to Diamond
under Conditions of Dynamic Compression in a Conic Target
I. V. Lomonosov
1
, V. E. Fortov
1
, A. A. Frolova
2
,
K. V. Khishchenko
1
, A. A. Charakhch’yan
2
, and L. V. Shurshalov
2
1
Institute of High Energy Density, IVTAN (Institute of High Temperatures) Scientific Association,
Russian Academy of Sciences, Moscow, 125412 Russia
2
Dorodnitsyn Computer Center, Russian Academy of Sciences, Moscow, 117967 Russia
Received November 28, 2002
Abstract—Some results are given of numerical simulation of carbon loading in conic lead targets using alumi-
num impactors moving at a velocity of 4 km/s. Semiempirical wide-range equations of state for materials and
a kinetic model of nonequlibrium transformation of graphite to diamond, calibrated against the available exper-
imental data, are used in the calculations. The cumulative effect on the target axis of symmetry is investigated,
as well as the effect of the sample unloading after the arrival of the release wave from the rear surface of the
impactor.