A&A 486, 331-340 (2008)
DOI: 10.1051/0004-6361:20077454
M. González - P. J. Gutiérrez - L. M. Lara - R. Rodrigo
Instituto de Astrofísica de Andalucía-CSIC, PO Box 3004, 18080 Granada, Spain
Received 12 March 2007 / Accepted 9 April 2008
Abstract
Context. It is plausible that at least part of the water ice of cometary nuclei is initially in an amorphous phase, doped with other volatiles. As the nuclei are heated, the amorphous ice would then transform irreversibly into cubic ice. The net energy liberated in this transformation may be affected by the presence of any impurities because part of the energy liberated during crystallization may be expended in the desorption of dopant elements.
Aims. Our goal is to study the evolution of the crystallization front of the amorphous ice in a simulated nucleus, providing quantitative results. In particular, the influence of the net energy released during crystallization on the thermophysical evolution will be analyzed.
Methods. We use a simplified thermophysical model to simulate a cometary nucleus, where the ice is assumed initially to be in an amorphous phase. The model allows us to estimate the instantaneous rate of crystallization and the time spent in crystallization, for a fixed volume of amorphous ice, as a function of the net energy released. Simulations are performed for different characterizations of the nucleus interior such as dust-to-ice ratio, density, or thermal inertia.
Results. As expected, the evolution of the crystallization front depends strongly on the characteristics of the nucleus interior. If the nucleus interior has, however, a dust-to-ice ratio smaller than 1, and a low thermal inertia, approximately of 20 W K-1 m-2 s1/2, the crystallization front evolves discontinuously, with quasi-periodic increases in the crystallization rate. Those increases have a period that ranges from 1 to 40 days, if the energy released by crystallization is unaffected by impurities. These surges of crystallization could be responsible for the periodic outbursts observed for comet 9P/Tempel 1 shortly before the Deep Impact experiment. The evolution of the crystallization front becomes continuous and almost steady, if the net energy released is half that of the pure, exothermic case, regardless of the characteristics of the nucleus interior. On the other hand, if the dust-to-ice ratio is high (larger than 1) and/or the thermal inertia is high (larger than 100), the crystallization front evolves in a continuous and smooth manner, even for pure, exothermic crystallization.
Other quantitative results, including a comparison with plausible erosion rates, are described.
Key words: comets: general - methods: numerical - solar system: general
Comets have porous bodies, which are composed of ices and dust, and are a few kilometers in size. Water ice is their principal,
volatile constituent, although other volatile compounds, such as CO, CO2,
CH4, or NH3, are also present. Comets become highly active, ejecting a significant amount of gas and dust
produced by ice sublimation, with solar heating, usually at less than 4 AU from the Sun, although some show activity at larger heliocentric distances (e.g. Hale-Bopp, 29P/Schwassmann-Wachmann 1). Conventionally, bursts of activity interrupt more regular behavior (see e.g. A'Hearn et al. 2005, for comet 9P/Tempel 1). There is no definitive explanation for these outbursts, although various
possibilities have been suggested, such as crystallization, surface fragmentation due to the formation of gas pockets, meteoritic impacts, polymerization of hydrogen cyanide, HCN, and destruction of cometary grains under strong solar wind (see for example the review of the different sources for the outbursts by Gronkowski 2007, and references therein). Activity is presently poorly understood, mainly because our knowledge of the internal
structure of cometary nuclei, its formation, and evolution, is scarce. There is, for example, no direct
and simple correspondence between heliocentric distance and the
volatility of the constituents (see e.g. Capria 2002). This suggests that highly volatile constituents, or at least
part of them, may be trapped within the water-ice structure.
Nevertheless, the processes involved in their trapping, and storing, and
therefore the internal distribution of this dust-ice mixture is
unknown or, at least, controversial. There is evidence that cometary nuclei formed at low temperature and
pressure. Thus, one possible explanation is that water ice condensed in the amorphous phase, when it was able to trap other volatile compounds within its
structure. This idea could be supported with observations of icy grains in
the coma of some comets, such as
C/2002 C7 and Hale-Bopp. Near-infrared spectra of the detected icy grains do not show the characteristic 1.65
-absorption
feature of crystalline ice, which implies that the water ice could
be in the amorphous phase (e.g. Davies et al. 1997; Kawakita et al. 2004). Since the spectral feature depends strongly on the temperature,
the non-detection of the absorption feature cannot be considered definitive proof of
amorphous ice.
Another possibility for gas trapping is the formation of clathrate hydrates. Originally proposed by Delsemme and Swings (1952), the presence of clathrates was included in cometary, thermophysical modeling (e.g. Flammer et al. 1998). Cometary clathrate formation is indeed becoming an attractive explanation, following the Hale-Bopp visit and the analysis of Stardust samples (e.g. Brownlee et al. 2006; Ciesla 2007), which may be consistent with circulation in the solar nebula. Observations exist that could be explained by the presence of clathrate hydrates, in particular because laboratory experiments point out the difficulty of amorphous ice formation, even for low temperatures (e.g. Moore et al. 1994). These structures consist of a guest molecule surrounded by several molecules of water, which form a cage. The formation of clathrates could explain the under-abundance of N2 in comets Hale-Bopp, DeVico, and Ikeya-Zhang, and the large variability of CO observed in comets (see e.g. Gautier & Hersant 2005). This is because the order of clathration of the most abundant cometary species, is CH4, CO and N2. Since the amount of water molecules is limited, some CO and N2 molecules may not form clathrates, and they would not be incorporated into, at least, some cometary nuclei. It is necessary to note that the aforementioned under-abundance of certain species can also be explained with amorphous water ice, which is more efficient at trapping CO than N2 (see e.g. Ehrenfreud et al. 2002, and references therein).
Both proposed mechanisms have arguments for and against, and given our present knowledge (see e.g. Capria 2002; Colangeli et al. 2004), it is difficult to argue definitely in favor of either one of them. Probably, both mechanisms are effective inside cometary nuclei.
We assume that cometary nuclei are formed initially from amorphous ice, and that consequently highly-volatile constituents are trapped. We explore some of the consequences of this assumption. We study the evolution of the crystallization front, with a high, temporal resolution, and in particular, the role of volatile desorption on the energy budget of a body composed of impure amorphous water-ice. Our goal is to quantify how the net energy released during crystallization can affect the cometary, thermophysical evolution, and the physical circumstances under which the effects would be most significant.
In a cometary context, several models have dealt with
crystallization (e.g. Klinger 1981; Herman & Podolak 1985;
Espinasse et al. 1991, etc.). Most cometary models describe
the net energy released by crystallization in a similar way (see,
e.g. Prialnik 1992). This energy is calculated to be that of pure
amorphous water ice, minus the desorption energy of the dopant, and weighted
by the fraction of trapped volatile inside the matrix. Some models (e.g. Prialnik 1992; Tancredi et al. 1994) consider
crystallization to be an almost purely exothermic process. In these cases, the energy absorbed to liberate the dopants from the amorphous matrix, is calculated to be
,
where
and
are the specific, internal energies of the (dopant) gas and amorphous ice, respectively. For CO, (the second, most-abundant, volatile component in cometary nuclei, as inferred by observations), these authors estimate
to be, approximately,
J kg-1 of trapped gas. This value provides a small contribution to the net energy released, since the fraction of gas trapped in the amorphous matrix is small (for comets, usually less than 10% of water ice, in mass).
In these cases, crystallization constitutes an important internal-source of energy, evolving as a runaway process. This is why crystallization was proposed to be a possible cause of outbursts observed in comets.
Laboratory experiments indicate, however, that the energy absorbed by desorption of volatile dopants, trapped in the amorphous water ice, could be far higher than the
above-mentioned value. Sandford & Allamandola (1990) calculated the surface, binding energy of CO in H2O, to be
J kg-1, and the volume binding energy to be
J kg-1
(
J kg-1 for annealed samples), from experimental studies of the sticking efficiencies of deposited gas mixtures. Using both experimental and theoretical results, Manca et al. (2001) and Allouche et al. (1998), estimated that the desorption energy of CO from the surface of water ice was
J kg-1. Allouche et al. (1998), from quantum calculations, estimated that the volume, binding energy was four times larger than the surface, binding energy. If the amount of impurities is sufficiently large, the energetic contribution of trapped CO, for the values calculated above, would be similar to the energy produced by the crystallization of pure amorphous water ice.
Under these circumstances, crystallization could be endothermic. For non-annealed samples, Sandford & Allamandola (1990) indeed calculated a volume, binding energy that implies crystallization could be endothermic, for quantities of CO larger than 5.5% by mass (with respect to water ice), which is an acceptable percentage for comets.
These results are in line with those of Kouchi & Sirono (2001), which were derived for experiments of Differential Thermal Analysis (DTA), on amorphous samples doped with various volatiles. These authors found that crystallization was endothermic, when CO impurities were larger than 3% by mass.
Few cometary models have assumed that crystallization can be endothermic. Of those that have, Sirono & Yamamoto (1999) estimate the energetic contribution of dopants to be equal to the latent heat of
sublimation (for CO
J kg-1). Enzian et al. (1997) adopted a similar parametrization of the net energy released, although, in their simulations, the quantity
of dopant does not exceed the endothermic threshold.
Apart from crystallization, amorphous water ice can affect our system in other ways. The behavior of amorphous water ice, when annealed, is not yet well established. It is agreed that there are two forms of amorphous ice, High and Low Density Amorphous (HDA and LDA, respectively), and that HDA transforms into LDA, and then LDA into cubic ice as temperature increases. A number of Temperature-Programmed Desorption (TPD) experiments that studied the release of trapped volatiles, during annealing of doped amorphous solid water, showed that impurities were liberated at various temperatures, remaining even until the water ice started to sublimate (e.g. Collings et al. 2003; Gálvez et al. 2007, etc.). Jenniskens & Blake (1994) suggested that there is a glass transition before crystallization and that a new relaxed form of amorphous ice coexists in a metastable state with the cubic ice: this would explain why the volatiles are preserved until water sublimation. Other authors believe that this glass transition, if it exists, occurs at temperatures higher than crystallization, and cannot be detected (e.g. Macfarlane & Angell 1984; or Yue & Angell 2004). The influence of impurities on the behavior of these ices goes beyond altering only the energy released by crystallization, as the volatile species can experience other energetically-significant processes, such as flux through the ice matrix or recondensation.
We are interested mostly in the evolution of the crystallization front, and the effect of the energy liberated by crystallization, when part of it is absorbed in the desorption of occluded gases. Due to the lack of agreement in measurements of the different energies involved, we evaluate the impact of the net-energy release, during the crystallization process, on the evolution rate of the crystallization front, and therefore on the cometary, thermophysical evolution.
In the following sections, we describe the model used in our investigations, the results obtained, and our conclusions.
The equations that describe the thermophysical evolution of our simulated, cometary nucleus are the mass- and energy- conservation laws. We consider the single spatial component to be the radial one, z. Lateral heat-conduction is neglected because of the low conductivity of cometary material (see e.g. Prialnik et al. 2004). Our nucleus is a porous, solid matrix, made of amorphous water ice and dust, with water vapor filling its pores. The dust is the non-volatile refractory material, and is considered to be a static component in our model.
Thus, the equations to be solved are:
The activation law for crystallization,
,
is given by (Schmitt et al. 1989):
Inside the interior of the nucleus, our boundary conditions are null heat and vapor fluxes, which are valid only when applied at sufficiently large depth. We note that from a numerical standpoint, equations are discretized with finite differences, using a Crank-Nicolson approximation scheme.
We note that, when assuming that impurities modify the energy released during crystallization, we implicitly assume that desorption occurs at similar temperatures as crystallization. If we assume that desorption happens at lower temperatures, the energy released on the phase transition, would be similar to that of pure water ice, but the energy of desorption would be consumed before crystallization.
From a thermophysical point-of-view, there are other variables, besides the net energy released during crystallization, whose values, for comets, are not known accurately, but are critical for cometary-nucleus modeling. In particular, it is expected that the evolution of the crystallization front is very sensitive to the internal temperature. A typical value of the initial, internal temperature in cometary modeling is 30 K. In principle, such a low internal temperature, which could find support from, for example, the detection of S2, a highly volatile molecule that requires a low temperature to remain in a condensed phase, may have a strong influence on the crystallization-front evolution-rate. This is because a significant time is taken to raise the temperature to the level at which crystallization starts. In our simulations, initial, internal temperatures of both 30 K and 70 K, the latter of which, was arbitrarily chosen, were assumed. The effects of the initial, temperature profile are discussed in the results section. An initial temperature higher than 70 K, such as approximately 100 K, would produce, almost simultaneously, a crystallization of the entire volume. It would then become difficult to define the crystallization front and measure its evolution rate.
In cometary models, other quantities that affect the crystallization-front evolution but are not accurately defined, are the amorphous ice content, which is directly related to the energy released inside the nucleus, and the thermal inertia, which is directly related to the rate at which heat diffuses into the nucleus. Both of these quantities are in turn dependent on variables such as porosity, density, and dust-to-ice ratio, which are also poorly constrained. Although there is agreement that comets are fluffy conglomerates, for which porosities higher than 0.65 are usually invoked, (see e.g. Davidsson et al. 2007, and references therein), no accurate measurements of porosity exist. In our simulations, porosities ranging from
0.3 up to 0.8 were considered. Measurements of the dust-to-ice ratio were calculated from
observations; these ratios are poorly constrained, and estimated for the coma, which may not
be representative of the dust-to-ice ratio in the nucleus. Measurements for the Deep Impact experiment imply that the ratios are large, ranging from 1 to 100, depending on the mass exponent and cut-off mass used (see e.g. Küppers
et al. 2005). These estimates could reflect the stratigraphy of the nucleus, which could have an outer dusty layer and an ice-rich interior (Sunshine et al. 2007). This implies that the actual dust-to-ice ratio may be between a value smaller than 1 and values much larger than 1. In our simulations, a
dust-to-ice ratio ranging from 0.1 up to 20 is considered. The two variables mentioned above are related to the comet bulk density, which is also poorly constrained. Although measurements (e.g. Davidsson & Gutiérrez
2004, 2005, 2006), including that of Tempel 1
from the DI experiment (Richardson & Melosh 2006) are consistent with a
mean value of about 400-500 kg m-3, the uncertainty error bar is large, of about 300 kg m-3. Our simulations cover densities that range from 250 up to 700 kg m-3.
Measurements of thermal inertia, which is related to previous variables, for Tempel 1, are consistent with values below 50 W K-1 m-2 s1/2 (Lisse et al. 2005; Groussin et al. 2007). Thermal-inertia measurements derived from thermal emission, as for the measurements presented above, are, however, model dependent. This was pointed out by Davidsson et al. (2007), who showed that two different thermophysical models require different thermal inertias, ranging from 100 up to 400 W K-1 m-2 s1/2, to
reproduce identical non-gravitational changes in the orbit. In light of the surface-composition measurements of Sunshine et al. (2007), the low value
of 50 W K-1 m-2 s1/2 could correspond to the thermal inertia of the
refractory material alone. In our simulations, we consider a thermal inertia, controlled mainly by the dust-to-ice ratio and the Hertz factor, that ranges from 20 up to 400 W K-1 m-2 s1/2
.
Given the uncertainty in all of the aforementioned variables, the simulations cover a range of plausible values for them, as summarized in Table 1. It is necessary to keep in mind that some of them are coupled (e.g. porosity, dust-to-ice ratio, bulk density, thermal inertia, etc.). In this respect, the change of a variable leads, generally, to a change in the others, and not all variable combinations reflect physically meaningful values, according to our present knowledge of comets. In all simulations performed, all parameters were retained within specified limits. In Table 1, parameter values for pure substances are in-between the values in the cometary models, which are taken from Tancredi et al. (1994), Prialnik et al. (2004) and Enzian et al. (1997).
Table 1: Values of the parameters used in the simulations. The effect of some variables on the results was studied by altering their values within a plausible range. For example, several values of porosities, dust-to-ice ratios, and thermal inertia were used in the simulations.
All of the following results are described for a surface temperature of 160 K. At the end of the section, the effect of this boundary condition is discussed.
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Figure 1:
Local rate of crystallization (kg m-3 h-1)
against time for simulated
nuclei with different net energies released. In this figure, panel a)
corresponds to a net energy released of
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From Fig. 1, both the quantitative and qualitative dependence of crystallization rate on the net energy released, is clearly evident. When the net energy released by crystallization is that of pure amorphous water ice (panel (a) in Fig. 1), the rate of crystallization may evolve discontinuously, with repetitive strong ``surges'', which are, logically, accompanied by respective increases in temperature. If those surges are analyzed in detail, it could be seen that the crystallization evolves comparatively slowly until its rate reaches a value of about 105 kg m-3 h-1. Then, it increases above 106 kg m-3 h-1 very rapidly. Those surges are quasi-periodic, with the period slightly increasing as the crystallization front evolves toward the interior. This is expected in this kind of static model, in which the energy coming from the upper boundary generally diminishes with depth. In the simulation shown in panel (a) of Fig. 1, spurts show a period of 5-7 days.
In Fig. 1, it can been seen that the surges of crystallization appear only when the net energy released is high. For the set of parameters corresponding to the simulations shown in Fig. 1, local rate surges do not appear, or appear only at the beginning of the nucleus crystallization, for energies smaller
than 50% of the energy liberated for pure amorphous water ice, i.e.
smaller than
J kg-1. Below that threshold, the energy released is insufficiently high to
create the rate spurts. In those cases, the local rate of
crystallization evolves in a continuous way. This behavior is
illustrated, for example, in panels (b) and (c) of
Fig. 1. In
panel (b), corresponding to an energy of
J kg-1,
it can be seen that some peaks appear only at the beginning of the
simulation. These initial peaks could be an ``edge''
effect due to the
height at the start of the calculations,
disappearing when the temperature profile becomes smooth. In addition,
with the simplified model used in these simulations, it is not possible
to say if those initial peaks would propagate into the nucleus if erosion of the surface were taken into account. This would depend, of course, on the balance between the erosion rate and the evolution of the crystallization front, a circumstance which will be discussed in the next section.
The surges in the crystallization rate can be easily explained. When the
surface temperature is sufficiently high, crystallization begins, releasing a large amount of energy that produces an increase in the
temperature and, consequently, the rate of crystallization. These increased values are maintained
until all the amorphous ice in the crystallization front becomes
crystalline. At this moment, the energy released diffuses mainly toward
the surface, as the conductivity of amorphous ice is extremely low. This
circumstance slows down the crystallization. Additional simulations, artificially
increasing the thermal conductivity of amorphous ice, show that, if
thermal conductivity of the amorphous region is similar to that of the
crystalline, spurts of crystallization would not appear.
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Figure 2: Panel a): instantaneous crystallization rate for a nucleus with the same characteristics as that of panel a) of Fig. 1 except for the thermal inertia. In this case, the thermal inertia is 400 W K-1 m-2 s1/2. Panel b): instantaneous crystallization rate for a nucleus with the same characteristics as in panel a) of Fig. 1 except for the density, which is now 700 kg m-3. |
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In general, the apparition of surges in the instantaneous crystallization rate, their separation in time, and the threshold of the net energy released below which the spurts disappear, depend on the balance between the timescales of heat diffusion and crystallization for the local temperature, in the region of the crystallization front. Generally, rate surges appear when the timescale of heat diffusion is longer than that of crystallization. That is, the heat liberated in the crystallization does not diffuse fast enough, and it is accumulated into the volume element, increasing its temperature and, therefore, increasing the crystallization rate. In this problem, the fact that the thermal inertia of amorphous ice is small (several orders of magnitude smaller than that of dust and that of crystalline ice) plays, as mentioned above, a relevant role. Crystallization timescale is the inverse of Eq. (6), which depends on the temperature (and therefore on the net energy released, and on the amorphous ice content). As for the timescale of heat diffusion, it depends on the density, effective heat capacity, effective thermal conductivity, and therefore on the temperature, and on all the densities of the different compounds forming the nucleus (and therefore on the dust-to-ice ratio). We refer the author to Prialnik et al. (2004) for an in-depth description of the different timescales of processes involved in the thermophysical description of a cometary nucleus, including those of crystallization and heat diffusion. Given the strong coupling among the different variables involved in cometary-nucleus modeling, it is not possible to definitively state the effect of a particular variable, without considering the effect of the others. In general, the only secure comment to be made is that every variable that increases the timescale of heat diffusion will increase the period of crystallization surges. Equally, every variable that produces a net decrease in the timescale of heat diffusion, compared to that of crystallization, produces an increase in the frequency of the crystallization spurts or, eventually, a high but smooth crystallization rate. In a similar way, if the energy released is comparatively small (for example, when the ice content is small compared to the dust, or when the dopant components require a significant fraction of energy to be desorbed), the crystallization timescale is similar to or shorter than the timescale of heat diffusion and surges do not appear. In those cases, the crystallization front evolves with a smooth and small rate.
In any case, the simulations performed, allowed us to illustrate the effect of some bulk variables, such as density and thermal inertia. Considering the expressions given in Prialnik et al. (2004), the timescale of heat diffusion can be re-written as
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(8) |
Panel (b) of Fig. 2 shows the inverse behavior. This simulation corresponds to the same simulated nucleus as in panel (a) of Fig. 1, but in this case, the bulk density is 700 kg m-3. It can be seen that the increase in density translates into an increase in the period of the crystallization surges, now appearing every 15-20 days.
Other magnitudes, such as the dust-to-ice ratio, directly related to the total, net energy released, and the internal temperature also have an important impact. Logically, the larger the dust-to-ice ratio, and the higher the internal temperature, the longer is the period of the crystallization spurts. Eventually, a large dust-to-ice ratio may lead to the disappearance of the surges. In our simulations, nuclei with a dust-to-ice ratio of 20 do not show any spurt in the crystallization rate, even when the net energy released is that of pure amorphous ice. This is not only due to the fact that there is less ice, but also to the fact that the thermal conductivity is controlled mostly by the dust, allowing substantial heat diffusion into the interior. Additional simulations in which the dust-to-ice ratio is varied, and the remainder parameters are maintained within the ranges given in Table 1, show that surges in the rate of crystallization disappear for dust-to-ice ratios larger than approximately 5.
In summary, the net energy released in crystallization significantly
affects the evolution of the local rate of crystallization. The
crystallization may evolve in a discontinuous manner, with strong and
repetitive increases in its rate, if the energy released during
crystallization is comparatively high. Considering the entire set of
simulations, surges of crystallization may appear with a period ranging
from the order of 1 day (when the dust-to-ice ratio is
0.1, the
density is low
250 kg m-3, and the thermal inertia is moderate
100 W K-1 m-2 s1/2), up to the order of 1 month (when the density is
700 kg m-3, and the thermal inertia is small,
20 W K-1 m-2 s1/2). From
our simulations, and regardless of the physical characteristics of the
nucleus (within the range given in Table 1), crystallization
surges do not appear when the net energy released is smaller than
J kg-1, that is half the energy released in the
crystallization of pure, amorphous ice. For the energy reported by Sandford & Allamandola (1990) for the volume, binding energy in non-annealed samples,
this would imply that a 2.73% (in mass) of impurities would be sufficient to produce a
smooth evolution of the crystallization front.
This last statement requires additional consideration. On the one
hand, it is necessary to bear in mind that this energy threshold may increase for particular physical characteristics of the nucleus. For example, for a comparatively-high, thermal inertia (above 100 W K-1 m-2 s1/2) and/or a high dust-to-ice ratio (larger than 5), the crystallization front will evolve in a continuous and smooth manner, even if the net energy released is that of pure, amorphous ice. On the other hand, it must be noted that the energy threshold for discontinuous evolution of the crystallization front is close to the lower limit estimated for the energy released during the crystallization of pure, amorphous water ice,
J kg-1, as reported by Hallbrucker & Mayer (1987, See Sect. 2). If this value is representative of the crystallization of cometary, amorphous ice, then the crystallization would probably evolve in a smooth and continuous way, even if it is unaffected by impurities.
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Figure 3:
Normalized mean rate of crystallization for different simulated nuclei as a function of the net energy released during
crystallization. All values are normalized to the minimum to show the
general tendency. Solid line corresponds to a nucleus with a density of
400 kg m-3, a dust-to-ice ratio of 1, and a thermal inertia of
20 W K-1 m-2 s1/2 (triangles,
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Figure 3 illustrates the dependence of the mean rate of crystallization on the net energy released during crystallization. The mean crystallization rate was calculated by estimating the time spent in the complete crystallization of the volume from 0.5 m up to 1.5 m. The initial, control point is selected well below the surface to avoid any possible ``edge'' effect due to the initial, temperature profile. We verified that the mean crystallization rate, estimated from the first half meter of the selected volume, is practically the same as that estimated from the second half meter of the control volume. All curves obtained in the simulations show a similar behavior or dependence. In general, the mean velocity depends exponentially on the net energy released in crystallization. Nevertheless, it can be noted (considering the upper dashed line) that an upper limit to the mean velocity may exist, which is defined by the ability of the medium to transport energy toward the interior. This circumstance may produce the flattening of the profile when the net energy released is high. In principle, all physical parameters that describe the nucleus affect the dependence of the mean crystallization rate on the net energy released, but all simulations show a profile within those shown in the figure. That is, the impact of the net energy released in the mean crystallization rate may range from a practically null effect, when the dust-to-ice ratio is large, to an increase of a factor 30, for ice-rich nuclei.
The impact of the most important parameters on the
mean rate of crystallization can be clearly seen in Fig. 4. This figure, which is separated into three plots corresponding to the different dust-to-ice
ratios (representing different ice contents, and therefore different
quantities to crystallize), shows the mean crystallization rate
when the energy released is that of pure amorphous ice, and when the
crystallization is neutral from an energetic standpoint. Results are
shown for different thermal inertias (20 and 100 W K-1 m-2 s1/2), and different
internal temperatures (30 K and 70 K). In this figure, the represented
values are the mean obtained by averaging the results of the simulations
with different densities (and therefore porosities), but keeping the remainder
of the physical characteristics to similar values (i.e. the same dust-to-ice ratio, thermal inertia,
and temperature). Error bars represent the dispersion due to the range
of densities simulated. In the following description, all the multiplicative factors given are referred to the mean velocity when the transformation is
neutral from an energetic point-of-view. Looking at Fig. 4, it
can be seen that, logically, the larger the dust-to-ice ratio, the
smaller the effect of the net energy released during crystallization. In
our simulations, the largest effect of the net energy released during
crystallization is obtained for small dust-to-ice ratios. When the dust-to-ice ratio is 0.1,
the mean crystallization rate of a nucleus that releases the energy as
commonly assumed in cometary, thermophysical models, is a factor of between 20
and 30 (depending on the
initial temperature) larger than that of a nucleus in which all the energy
released during crystallization is absorbed by the desorption of dopant
elements. If the dust-to-ice ratio is 1, the energy released during
crystallization may produce an increase that is smaller than an order of
magnitude (with respect to the energetically-neutral simulation).
When the nucleus is dominated by dust, the net energy released during
crystallization hardly affects the mean velocity of
crystallization: this behavior, as previously explained, is due
not only to the fact that the ice content (and therefore the total
energy released) may diminish as the dust-to-ice ratio increases, but also to
the fact that the thermal properties, including heat diffusion, are
controlled by the dust. This favors heat diffusion
toward the interior, while a nucleus that is composed mainly of amorphous ice (below
the crystallization front) practically inhibits heat diffusion
toward the interior.
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Figure 4: Mean crystallization rate estimated considering all the simulations both when the net energy released is that of pure amorphous ice (filled symbols) and when the crystallization is energetically neutral (empty symbols). The results are split into three plots, each for a different dust-to-ice ratio. The upper plot corresponds to simulations with a dust-to-ice ratio of 0.1, middle plot to a dust-to-ice ratio of 1, and the lower plot to a dust-to-ice ratio of 20. Inside each plot, symbols on the left correspond to a thermal inertia of 20 W K-1 m-2 s1/2, and those on the right to a thermal inertia of 100 W K-1 m-2 s1/2. Symbols are slightly displaced for clarity. In addition, triangles correspond to simulations where the initial internal temperature is 30 K and squares to simulations with an initial temperature of 70 K. Errors bars represent the dispersion due to the range of densities and porosities simulated (see Table 1). Symbols stand for the mean value. Finally, marks located at a thermal inertia of 60 W K-1 m-2 s1/2 in the middle plot, represent different estimates of the erosion rate, taken from different studies (see text for references). HER, MER, LER represent the ranges of high, medium, and low erosion rates, as found in the literature. |
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We note that the effect of the net energy released in the mean crystallization rate is practically independent of the thermal inertia (for the range of values tested). We mean that the increase in the mean crystallization rate, when the energy released is that of pure, amorphous ice, as opposed to that of an energetically-neutral transition, is approximately the same, regardless of the thermal inertia of our simulations. Only a slight reduction, which is due to the increase in the heat diffusion toward the interior, with no practical effects on thermophysical modeling, was observed. The internal temperature also has an impact, although it is small. Logically, the colder the nucleus interior, the smaller is the effect of the energy released in crystallization. This is because part of the energy has to be expended, before the temperature can increase, with no practical effect on crystallization. The effect of the internal temperature on the crystallization, when it is purely exothermic, is more evident for a dust-to-ice ratio of 1 (See Fig. 3). Under this circumstance, when the initial internal temperature is low, a pure, exothermic crystallization would only increase the mean crystallization rate by a factor 2, or less, compared with the mean rate of an energetically-neutral crystallization. Nevertheless, for temperatures of 70 K, the net energy released may increase the mean rate of crystallization by a factor of the order of 10. For large dust-to-ice ratios, as mentioned above, the net energy released has no practical effect.
The crystallization rates represented in Fig. 4 can be
quantitatively compared to surface erosion rates. So far there are
several estimates of cometary erosion rates, both observationally
derived, and theoretically calculated. To our knowledge, the largest
erosion rate ever estimated was that of C/1999 S4 (LINEAR). Both
Makinen et al. (2001), and Altenhoff et al. (2004) estimated the
erosion rate of this comet, although they obtained very different
results. While the former authors obtained an erosion rate of
3.3 m day-1, suggesting that the material of this comet was leaving the
nucleus by fragmentation, the latter authors estimated a value of
0.01 m day-1. Given the singularity of comet C/1999 S4 (LINEAR), which
fractured, possibly these erosion rates cannot be considered as being
regular. Theoretically, Cohen et al. (2003) estimated the
erosion rate of a comet in the orbit of comet 46P/Wirtanen. These
authors concluded that for a dust-to-ice ratio of 1, and a density of
approximately 700 kg m-3, equatorial regions (assuming that the spin axis
is normal to the orbital plane) would erode at a rate of
5.7-
m day-1. Scaling these values to our mean density of
400 kg m-3, the rate would be 7-
m day-1. Those
values are only slightly larger than those obtained by Banaszkiewicz
& Rickman (1995) (quoting Rickman 1992). These authors estimated a mean erosion rate of
m day-1, for a Jupiter-family comet, with a perihelion distance of 1 AU, a period of 6 years, and a density of 300 kg m-3,
which is
m day-1 when normalized to a density of
400 kg m-3. The
range covered by these estimates is represented in
Fig. 4. Henceforth, this set of estimates is referred to as
high erosion rate (HER). Below that range, Groussin & Lamy
(2003) estimated the erosion rate for a nucleus in the orbit
of 46P. For a dust-to-ice ratio in the range of 0.5-2, and a
density of 1000 kg m-3, these authors calculated that comet 46P would erode at a rate of
m day-1, that is,
m day-1 if the density were our mean value of
400 kg m-3. The value
obtained by Groussin & Lamy is only slightly larger than the value
reported by Keller et al. (2004) for comet Borrelly,
2-
m day-1, if the bulk density is smaller than
1000 kg m-3. Prialnik (2004) also provides a theoretical expression
to estimate the mean erosion per orbit of a comet (see Table 5 in that
review). By using that formula, the erosion rate for a typical Jupiter-family comet, with a density of 400 kg m-3, would be approximately
m day-1, of the same order as the two latter
values. The range of values covering the estimates by Groussin & Lamy
(2003), Keller et al. (2004), and that of Prialnik
et al. (2004)
is also represented in Fig. 4. This range can be considered as the
medium erosion rate (MER). Below that range, we find only the
estimate of McDonnell et al. (1987) for comet Halley from Giotto measurements.
These authors estimated that the surface of Halley eroded at a rate of
m day-1. This value, considered as the
low erosion rate (LER), is also represented in Fig. 4.
We understand that given the uncertainty in the variables involved, and the fact that erosion data are scarce, a direct comparison between crystallization and erosion rates is highly speculative. Nevertheless, thinking of the detection of icy grains in the comae of several comets, presumably in the amorphous state (see Introduction), and given the results obtained in our simulations, it may be worth describing the different possibilities. Considering the simulations performed and assuming always that amorphous ice is (or was) present in cometary nuclei, looking at Fig. 4, it can be seen that if cometary erosion were represented by the low erosion rate, it seems that there would not be any possibility to find amorphous ice below the surface. If the erosion rate were that of LER, the crystallization front would evolve faster than the erosion for all ranges of physical parameters tested. At the other end, if the surface eroded at a rate within the high range, simulations suggest that amorphous ice could exist comparatively close to the surface, regardless of the energy released during crystallization, if the thermal inertia is very small, of the order of 20 W K-1 m-2 s1/2. If the thermal inertia were of the order of 100 W K-1 m-2 s1/2, simulations suggest that crystallization evolves slower than the HER, except when the dust-to-ice ratio is small (of the order of 0.1) and the energy released is comparatively high (above 45 000 J kg-1). The most complex situation is the comparison between the crystallization rate and a surface eroding at a medium rate (MER). If the erosion rate were MER, the physical circumstances in which crystallization would be slower than the erosion strongly depend on the dust-to-ice ratio. For a dusty nucleus (dust-to-ice ratio of the order of 20), the erosion is faster than the crystallization, regardless of the energy released, provided that the thermal inertia is low (of the order of 20 W K-1 m-2 s1/2). For an icy-nucleus (dust-to-ice ratio of 0.1), in addition to a low thermal inertia, the crystallization must be neutral from an energetic standpoint. A nucleus with a dust-to-ice ratio of 1 would behave similarly to an icy nucleus, except that if the internal temperature is low (of the order of 30 K), even a crystallization releasing the energy of pure, amorphous ice would presumably evolve slower than erosion with MER.
According to the findings obtained from the Deep Impact experiment, the nucleus of Tempel 1 could be a body with a low thermal inertia, and an ice-rich interior. These characteristics could be represented by our simulations with a dust-to-ice ratio of 0.1, and a thermal inertia of 20 W K-1 m-2 s1/2. Under these physical circumstances, if the surface evolved at HER, our simulations suggest that amorphous ice would evolve at a similar rate, and therefore, if it exists, could be located comparatively close to the surface, even for crystallization that released the energy of pure amorphous ice. If the surface evolved at MER, crystallization generally would evolve faster than the surface, except if the energy released during crystallization is smaller than 45 000 J kg-1. Finally, if the surface moved at LER, the crystallization front would evolve faster than the surface regardless of the energy released.
As seen in the previous section, the net energy released in crystallization may significantly affect both the instantaneous and mean rate of crystallization. The effect of the net energy released depends strongly on the physical properties of the nucleus. Unfortunately, present uncertainty in the basic properties of cometary nuclei, such as density, thermal inertia, porosity, and dust-to-ice ratio, imply that we cannot determine accurately the effect of the net energy released and that several possible outcomes are equally likely.
Assuming that amorphous ice is (or was) present in cometary nuclei, our simulations imply that
Finally, it is necessary to point out that given the differences in behavior of our system due to the variation of the net energy released, the porosity, the dust-to-ice ratio, and the conductivity of amorphous water ice, a complete understanding of these phenomena is necessary to develop realistic models of the thermal evolution of doped, amorphous ice in any context, particularly in the astrophysical one. Experiments with large samples of amorphous water ice, co-deposited with other volatile dopants and for various dust-to-ice ratios would be highly desirable. These experiments would allow studies of the evolution of the crystallization front, and the interactions between the gas trapped and the amorphous matrix.
Acknowledgements
The research carried out has been supported by the National Spanish Research Council (CSIC) under project HIELOCRIS (PIF2005) and by the Spanish Ministerio de Educación y Ciencia under project ESP2006-02934. P.J.G. acknowledges financial support from the Spanish Ministerio de Educación y Ciencia (contract ``Ramón y Cajal'').