Ice Mantles Research Articles

Cosmic ray sputtering yield of interstellar ice mantles

Aims. Cosmic-ray-induced sputtering is one of the important desorption mechanisms at work in astrophysical environments. The chemical evolution observed in high-density regions, from dense clouds to protoplanetary disks, and the release of species condensed on dust grains, is one key parameter to be taken into account in interpretations of both observations and models. Methods. This study is part of an ongoing systematic experimental determination of the parameters to consider in astrophysical cosmic ray sputtering. As was already done for water ice, we investigated the sputtering yield as a function of ice mantle thickness for the two next most abundant species of ice mantles, carbon monoxide and carbon dioxide, which were exposed to several ion beams to explore the dependence with deposited energy. Results. These ice sputtering yields are constant for thick films. It decreases rapidly for thin ice films when reaching the impinging ion sputtering desorption depth. An ice mantle thickness dependence constraint can be implemented in the astrophysical modelling of the sputtering process, in particular close to the onset of ice mantle formation at low visual extinctions.

The prebiotic molecular inventory of Serpens SMM1

Aims. Methyl isocyanate (CH3NCO) and glycolonitrile (HOCH2CN) are isomers and prebiotic molecules that are involved in the formation of peptide structures and the nucleobase adenine, respectively. These two species are investigated to study the interstellar chemistry of cyanides (CN) and isocyanates (NCO) and to gain insight into the reservoir of interstellar prebiotic molecules. Methods. ALMA observations of the intermediate-mass Class 0 protostar Serpens SMM1-a and ALMA-PILS data of the low-mass Class 0 protostar IRAS 16293B are used. Spectra are analysed with the CASSIS line analysis software package in order to identify and characterise molecules. Results. CH3NCO, HOCH2CN, and various other molecules are detected towards SMM1-a. HOCH2CN is identified in the PILS data towards IRAS 16293B in a spectrum extracted at a half-beam offset position from the peak continuum. CH3NCO and HOCH2CN are equally abundant in SMM1-a at [X]/[CH3OH] of 5.3 × 10−4 and 6.2 × 10−4, respectively. A comparison between SMM1-a and IRAS 16293B shows that HOCH2CN and HNCO are more abundant in the former source, but CH3NCO abundances do not differ significantly. Data from other sources are used to show that the [CH3NCO]/[HNCO] ratio is similar in all these sources within ~10%. Conclusions. The new detections of CH3NCO and HOCH2CN are additional evidence for a large interstellar reservoir of prebiotic molecules that can contribute to the formation of biomolecules on planets. The equal abundances of these molecules in SMM1-a indicate that their formation is driven by kinetic processes instead of thermodynamic equilibrium, which would drive the chemistry to one product. HOCH2CN is found to be much more abundant in SMM1-a than in IRAS 16293B. From the observational data, it is difficult to indicate a formation pathway for HOCH2CN, but the thermal Strecker-like reaction of CN− with H2CO is a possibility. The similar [CH3NCO]/[HNCO] ratios found in the available sample of studied interstellar sources indicate that these two species are either chemically related or their formation is affected by physical conditions in the same way. Both species likely form early during star formation, presumably via ice mantle reactions taking place in the dark cloud or when ice mantles are being heated in the hot core. The relatively high abundances of HOCH2CN and HNCO in SMM1-a may be explained by a prolonged stage of relatively warm ice mantles, where thermal and energetic processing of HCN in the ice results in the efficient formation of both species.

The initial gas-phase sulfur abundance in the Orion Molecular Cloud from sulfur radio recombination lines

The abundances of chemical elements and their depletion factors are essential parameters for understanding the composition of the gas and dust that are ultimately incorporated into stars and planets. Sulfur is an abundant but peculiar element in the sense that, despite being less volatile than other elements (e.g., carbon), it is not a major constituent of dust grains in diffuse interstellar clouds. Here, we determine the gas-phase carbon-to-sulfur abundance ratio, [C]/[S], and the [S] in a dense star-forming cloud from new radio recombination lines (RRLs) detected with the Yebes 40m telescope – at relatively high frequencies (∼40 GHz ≃ 7 mm) and angular resolutions (down to 36″) – in the Orion Bar, a rim of the Orion Molecular Cloud (OMC). We detect nine Cnα RRLs (with n = 51–59) as well as nine narrow line features separated from the Cnα lines by δv = −8.4 ± 0.3 km s−1. Based on this velocity separation, we assign these features to sulfur RRLs, with little contribution of RRLs from the more condensable elements Mg, Si, or Fe. Sulfur RRLs lines trace the photodissociation region of the OMC. In these neutral gas layers, up to AV ≃ 4, the ions C+ and S+ lock in most of the C and S gas-phase reservoir. We determine a relative abundance of [C]Ori/[S]Ori = 10.4 ± 0.6 and, adopting the same [C]Ori measured in the translucent gas toward star θ1 Ori B, an absolute abundance of [S]Ori = (1.4 ± 0.4)⋅10−5. This value is consistent with emission models of the observed sulfur RRLs if N(S+) ≃ 7⋅1017 cm−2 (beam-averaged). The [S]Ori is the “initial” sulfur abundance in the OMC, before an undetermined fraction of the [S]Ori goes into molecules and ice mantles in the cloud interior. The inferred abundance [S]Ori matches the solar abundance, thus implying that there is little depletion of sulfur onto rocky dust grains, with D(S) = 0.0 ± 0.2 dex.

2-aminooxazole in Astrophysical Environments: IR Spectra and Destruction Cross Sections for Energetic Processing

Abstract 2-aminooxazole (2AO), a N-heterocyclic molecule, has been proposed as an intermediate in prebiotic syntheses. It has been demonstrated that it can be synthesized from small molecules such as cyanamide and glycoaldehyde, which are present in interstellar space. The aim of this work is to provide infrared (IR) spectra, in the solid phase for conditions typical of astrophysical environments and to estimate its stability toward UV photons and cosmic rays. IR (4000–600 cm−1) absorption spectra at 20 K, 180 K, and 300 K, IR band strengths, and room-temperature UV (120–250 nm) absorption spectra are given for the first time for this species. Destruction cross sections of ≈9.5 10−18 cm2 and ≈2 10−16 cm2 were found in the irradiation at 20 K of pure 2AO and 2AO:H2O ices with UV (6.3–10.9 eV) photons or 5 keV electrons, respectively. These data were used to estimate half-life times for the molecule in different environments. It is estimated that 2AO could survive UV radiation and cosmic rays in the ice mantles of dense clouds beyond cloud collapse. In contrast, it would be very unstable on the surface of cold solar system bodies like Kuiper Belt objects, but the molecule could still survive within dust grain agglomerates or cometesimals.

Observational Evidence for Rotational Desorption of Complex Molecules by Radiative Torques from Orion BN/KL

Abstract Complex organic molecules (COMs) are believed to form in the ice mantle of dust grains and are released to the gas by thermal sublimation when grain mantles are heated to temperatures of T d ≳ 100 K . However, some COMs are detected in regions with temperatures below 100 K. Recently, a new mechanism of rotational desorption due to centrifugal stress induced by radiative torques (RATs) was proposed by Hoang & Tram (2020) that can desorb COMs at low temperatures. In this paper, we report observational evidence for rotational desorption of COMs toward the nearest massive star-forming region, Orion BN/KL. We compare the abundance of three representative COMs that have very high binding energy computed by the rotational desorption mechanism with observations by ALMA, and demonstrate that the rotational desorption mechanism can explain the existence of such COMs. We also analyze the polarization data from SOFIA/HAWC+ and JCMT/SCUBA-2 and find that the polarization degree at far-infrared/submillimeter decreases with increasing the grain temperature for T d ≳ 71 K . This is consistent with the theoretical prediction using the RAT alignment theory and Radiative Torque Disruption mechanism. Such an anticorrelation between dust polarization and dust temperature supports the rotational disruption as well as rotational desorption mechanism of COMs induced by RATs.

Quantification of the Role of Chemical Desorption in Molecular Clouds.

ConspectusDark molecular clouds have low temperatures of approximately 10 K and experience very little UV irradiation. These clouds are the birthplace of new stars and consist of gas and dust particles. The latter can act as a meeting place to facilitate surface chemistry to form saturated molecules such as formaldehyde, methyl formate, and dimethyl ether. These complex organic molecules or COMs become encapsulated in the ice that forms on the dust grains, and these ices are the precursor for cometary ices and other icy bodies. They likely played a role in bringing material to the early earth.Although these COMs are likely formed on the surfaces of dust grains, several of them have been detected in the gas phase. This means that they have desorbed from the grain under these cold, dark conditions where thermal desorption and photodesorption are negligible. It has been speculated that reactive, or chemical, desorption is responsible for the high gas-phase abundance. After a surface reaction, its products might be vibrationally, translationally, and/or rotationally excited. Dissipation of the excess energy to translational energy can briefly increase the desorption rate, leading to chemical desorption. Astrochemical modellers have added terms to their rate equations to account for this effect. These terms, however, have had little experimental or theoretical verification.In this Account, we use classical molecular dynamics (MD) simulations to give adsorbed molecules a fixed amount of energy as a proxy for excess energy and to record whether this leads to desorption. The excitation energy can be varied freely while keeping all other variables constant. This allows for the study of trends rather than being limited to a single reaction and a single system. The focus is on the dependence of the chemical desorption on the excitation energy, excitation type, and binding energy. Rotational and vibrational excitation was explicitly taken into account. An analytical expression for the chemical desorption probability was obtained in this way. It depends on the binding energy and reaction enthalpy. This expression was then implemented in a gas–grain astrochemical code to simulate the chemical evolution of a dark molecular cloud, and the results were compared against observational abundances of COMs in three different molecular clouds. The results with our new expression based on the MD simulations show good agreement for all species except H2CO, which has both gas-phase and surface-formation routes. This is a significant improvement over models without chemical desorption or with other expressions for chemical desorption, as frequently used by other authors. It is encouraging to see that a general description with a firmer theoretical basis leads to a significant improvement. Understanding chemical desorption can help to explain the unexpectedly high gas-phase abundance of some COMs, and chemical desorption also provides a link between the gas phase and the ice mantle, and its understanding might help in creating a diagnostic tool to learn more about the ice composition.

The efficiency of grain growth in the diffuse interstellar medium

ABSTRACT Grain growth by accretion of gas-phase metals is a common assumption in models of dust evolution, but in dense gas, where the time-scale is short enough for accretion to be effective, material is accreted in the form of ice mantles rather than adding to the refractory grain mass. It has been suggested that negatively charged small grains in the diffuse interstellar medium (ISM) can accrete efficiently due to the Coulomb attraction of positively-charged ions, avoiding this issue. We show that this inevitably results in the growth of the small-grain radii until they become positively charged, at which point further growth is effectively halted. The resulting gas-phase depletions under diffuse ISM conditions are significantly overestimated when a constant grain size distribution is assumed. While observed depletions can be reproduced by changing the initial size distribution or assuming highly efficient grain shattering, both options result in unrealistic levels of far-ultraviolet extinction. We suggest that the observed elemental depletions in the diffuse ISM are better explained by higher initial depletions, combined with inefficient dust destruction by supernovae at moderate ($n_{\rm H}\sim 30 \, {\rm cm}^{-3}$) densities, rather than by higher accretion efficiences.

The Formation of Glycolonitrile (HOCH2CN) from Reactions of C+ with HCN and HNC on Icy Grain Mantles

Abstract Quantum chemical cluster calculations show that reactions of C+ with HCN or HNC embedded in the surface of an icy grain mantle can account for the formation of a recently detected molecule, glycolonitrile, which is considered to be an important precursor to ribonucleic compounds. Reactions of cations deposited on ice mantles with minimal kinetic energy have been found theoretically to result in previously unknown pathways to significant organic compounds in protostellar systems and the interstellar medium. In density functional theory cluster calculations involving up to 24H2O, C+ reacts consistently with HCN embedded in ice to yield the neutral HOCHNC radical with no barrier, along with H3O+ as a byproduct. If HOCHNC then reacts with H, three species can be formed: HOCH2NC (isocyanomethanol), HOCH2CN (glycolonitrile), and HOCHNCH. For the C++ HNC reaction on ice, the HOCHCN and H2OCCN radicals form as intermediates, the first of which is another direct precursor to glycolonitrile via H addition. In addition to characterizing reaction pathways, predictions are provided of the vibrational and electronic spectra of the HCN and HNC starting clusters and the HOCHNC ice-bound intermediate.

Computational Surface Modelling of Ices and Minerals of Interstellar Interest—Insights and Perspectives

The universe is molecularly rich, comprising from the simplest molecule (H2) to complex organic molecules (e.g., CH3CHO and NH2CHO), some of which of biological relevance (e.g., amino acids). This chemical richness is intimately linked to the different physical phases forming Solar-like planetary systems, in which at each phase, molecules of increasing complexity form. Interestingly, synthesis of some of these compounds only takes place in the presence of interstellar (IS) grains, i.e., solid-state sub-micron sized particles consisting of naked dust of silicates or carbonaceous materials that can be covered by water-dominated ice mantles. Surfaces of IS grains exhibit particular characteristics that allow the occurrence of pivotal chemical reactions, such as the presence of binding/catalytic sites and the capability to dissipate energy excesses through the grain phonons. The present know-how on the physicochemical features of IS grains has been obtained by the fruitful synergy of astronomical observational with astrochemical modelling and laboratory experiments. However, current limitations of these disciplines prevent us from having a full understanding of the IS grain surface chemistry as they cannot provide fundamental atomic-scale of grain surface elementary steps (i.e., adsorption, diffusion, reaction and desorption). This essential information can be obtained by means of simulations based on computational chemistry methods. One capability of these simulations deals with the construction of atom-based structural models mimicking the surfaces of IS grains, the very first step to investigate on the grain surface chemistry. This perspective aims to present the current state-of-the-art methods, techniques and strategies available in computational chemistry to model (i.e., construct and simulate) surfaces present in IS grains. Although we focus on water ice mantles and olivinic silicates as IS test case materials to exemplify the modelling procedures, a final discussion on the applicability of these approaches to simulate surfaces of other cosmic grain materials (e.g., cometary and meteoritic) is given.

Sputtering of Presolar Grains via Galactic Cosmic Rays in the Interstellar Medium

Abstract The sputtering rate of presolar silicon carbide grains due to galactic cosmic rays has been computed for their experimentally deduced lifetimes (∼1 Gyr) in the interstellar medium. An ion target simulator, SDTrimSP, was used to model the sputtering of interstellar grains with varying sizes and thicknesses of the ice mantle formed around the grain during their journey through the interstellar medium. Temperature, composition, and density for four different types of molecular cloud environments (quiescent, low-mass young stellar objects (YSOs), intermediate-mass YSOs, and high-mass YSO weak processing) considered indicate the sputtering rate on the mantle ice composition depends on water composition to a certain extent. The model simulations indicate galactic cosmic ray(s) with an energy range from 10 MeV to 1 GeV are just capable of sputtering/destructing ∼13%–15% of the grain itself. This value, stretched over 1 Gyr is not as significant as the other destruction processes and therefore can be classified as a minor destruction process. The effect of galactic cosmic rays on the ice mantle and core is also noted with particular emphasis on amorphization/recoils generated inside the SiC core and their distribution within the grain.

Cosmic-Ray Tracks in Astrophysical Ices: Modeling with the Geant4-DNA Monte Carlo Toolkit

Abstract Cosmic rays are ubiquitous in interstellar environments, and their bombardment of dust-grain ice mantles is a possible driver for the formation of complex, even prebiotic molecules. Yet, critical data that are essential for accurate modeling of this phenomenon, such as the average radii of cosmic-ray tracks in amorphous solid water (ASW) remain unconstrained. It is shown that cosmic-ray tracks in ASW can be approximated as a cylindrical volume with an average radius that is mostly independent of the initial particle energy. Interactions between energetic ions and both low-density amorphous (LDA) and high-density amorphous (HDA) ice targets are simulated using the Geant4-DNA Monte Carlo toolkit, which allows for tracking secondary electrons down to subexcitation energies in the material. We find the peak track-core radii, r cyl, for LDA and HDA ices to be 9.9 nm and 8.4 nm, respectively—somewhat less than double the value of 5 nm often assumed in astrochemical models.

A survey of CH2DOH towards starless and pre-stellar cores in the Taurus molecular cloud

ABSTRACT Recent observations indicate that organic molecules are prevalent towards starless and pre-stellar cores. Deuteration of these molecules has not been well studied during the starless phase. Published observations of singly deuterated methanol, CH2DOH, have only been observed in a couple of well-studied, dense, and evolved pre-stellar cores (e.g. L1544, L183). Since the formation of gas-phase methanol during this cold phase is believed to occur via desorption from the icy grain surfaces, observations of CH2DOH may be useful as a probe of the deuterium fraction in the ice mantles of dust grains. We present a systematic survey of CH2DOH towards 12 starless and pre-stellar cores in the B10 region of the Taurus molecular cloud. Nine of the 12 cores are detected with [CH2DOH]/[CH3OH] ranging from <0.04 to 0.23$^{+0.12}_{-0.06}$ with a median value of 0.11. Sources not detected tend to have larger virial parameters and larger methanol linewidths than detected sources. The results of this survey indicate that deuterium fractionation of organic molecules, such as methanol, during the starless phase may be more easily detectable than previously thought.

The role of radiolysis in the modelling of C2H4O2 isomers and dimethyl ether in cold dark clouds

ABSTRACT Complex organic molecules (COMs) have been detected in a variety of interstellar sources. The abundances of these COMs in warming sources can be explained by syntheses linked to increasing temperatures and densities, allowing quasi-thermal chemical reactions to occur rapidly enough to produce observable amounts of COMs, both in the gas phase, and upon dust grain ice mantles. The COMs produced on grains then become gaseous as the temperature increases sufficiently to allow their thermal desorption. The recent observation of gaseous COMs in cold sources has not been fully explained by these gas-phase and dust grain production routes. Radiolysis chemistry is a possible non-thermal method of producing COMs in cold dark clouds. This new method greatly increases the modelled abundance of selected COMs upon the ice surface and within the ice mantle due to excitation and ionization events from cosmic ray bombardment. We examine the effect of radiolysis on three C2H4O2 isomers – methyl formate (HCOOCH3), glycolaldehyde (HCOCH2OH), and acetic acid (CH3COOH) – and a chemically similar molecule, dimethyl ether (CH3OCH3), in cold dark clouds. We then compare our modelled gaseous abundances with observed abundances in TMC-1, L1689B, and B1-b.

Binding Energies of Interstellar Molecules on Crystalline and Amorphous Models of Water Ice by Ab Initio Calculations

Abstract In the denser and colder (≤20 K) regions of the interstellar medium (ISM), near-infrared observations have revealed the presence of submicron-sized dust grains covered by several layers of H2O-dominated ices and “dirtied” by the presence of other volatile species. Whether a molecule is in the gas or solid-phase depends on its binding energy (BE) on ice surfaces. Thus, BEs are crucial parameters for the astrochemical models that aim to reproduce the observed evolution of the ISM chemistry. In general, BEs can be inferred either from experimental techniques or by theoretical computations. In this work, we present a reliable computational methodology to evaluate the BEs of a large set (21) of astrochemical relevant species. We considered different periodic surface models of both crystalline and amorphous nature to mimic the interstellar water ice mantles. Both models ensure that hydrogen bond cooperativity is fully taken into account at variance with the small ice cluster models. Density functional theory adopting both B3LYP-D3 and M06-2X functionals was used to predict the species/ice structure and their BEs. As expected from the complexity of the ice surfaces, we found that each molecule can experience multiple BE values, which depend on its structure and position at the ice surface. A comparison of our computed data with literature data shows agreement in some cases and (large) differences in others. We discuss some astrophysical implications that show the importance of calculating BEs using more realistic interstellar ice surfaces to have reliable values for inclusion in the astrochemical models.

Exploring the Chemistry Induced by Energetic Processing of the H2-bearing, CO-rich Apolar Ice Layer

Abstract Interstellar ice mantles on the surfaces of dust grains are thought to have a bilayered structure, with a H2O-rich polar layer, covered by a CO-rich apolar layer that probably harbors H2 and other volatiles such as N2. In this work, we explore the chemistry induced by 2 keV electrons and Lyα photons in H2:CO:15N2 ice analogs of the CO-rich layer when exposed to similar fluences to those expected from the cosmic-ray-induced secondary electrons and UV photons during the typical lifetime of dense clouds. Six products were identified upon 2 keV electron irradiation: CO2, C2O (and other carbon chain oxides), CH4, H2CO, H2C2O, and H15NCO. The total product abundances corresponded to 5%−10% of the initial CO molecules exposed to electron irradiation. Lyα photon irradiation delivered one to two orders of magnitude lower yields with a similar product branching ratio, which may be due to the low UV-photon absorption cross section of the ice sample at this wavelength. Formation of additional N-bearing species, namely C2 15N2 and 15NH3, was only observed in the absence of H2 and CO molecules, respectively, suggesting that reactants derived from H2 and CO molecules preferentially react with each other instead of with 15N2 and its dissociation products. In summary, ice chemistry induced by energetic processing of the CO-rich apolar ice layer provides alternative formation pathways for several species detected in the interstellar medium, including some related to the complex organic molecule chemistry. Further quantification of these pathways will help astrochemical models constrain their relative contribution to the interstellar budget of, especially, the organic species H2CO and HNCO.

Rotational Disruption of Dust and Ice by Radiative Torques in Protoplanetary Disks and the Implications for Observations

Abstract Dust and ice mantles on dust grains play an important role in various processes in protoplanetary disks (PPDs) around a young star, including planetesimal formation, surface chemistry, and being the reservoir of water in habitable zones. In this paper, we perform two-dimensional modeling of rotational disruption of dust grains and ice mantles due to centrifugal force within suprathermally rotating grains spun-up by radiative torques for disks around T-Tauri and Herbig Ae/Be stars. We first study rotational disruption of large composite grains and find that large aggregates could be disrupted into individual nanoparticles via the RAdiative Torque Disruption (RATD) mechanism. We then study rotational desorption of ice mantles and ro-thermal desorption of molecules from the ice mantle. We find that ice mantles in the disk's warm surface layer and above can be disrupted into small icy fragments, followed by rapid evaporation of molecules. We suggest that the rotational disruption mechanism can replenish the ubiquitous presence of polycyclic aromatic hydrocarbons/nanoparticles in the hot surface layers of PPDs as observed in mid-IR emission, which are presumably destroyed by extreme ultraviolet (UV) stellar photons. We find that the water snowline is more extended in the presence of rotational desorption, which would decrease the number of comets but increase the number of asteroids formed in the solar nebula. Finally, we suggest that RATD breaking up carbonaceous grains more efficiently than it does silicates might resolve the carbon deficit problem measured on the Earth and rocky bodies.

Diffusive Hydrogenation Reactions of CO Embedded in Amorphous Solid Water at Elevated Temperatures ∼70 K

Abstract The surface processes on interstellar dust grains have an important role in the chemical evolution in molecular clouds. Hydrogenation reactions on ice surfaces have been extensively investigated and are known to proceed at low temperatures mostly below 20 K. In contrast, information about the chemical processes of molecules within an ice mantle is lacking. In this work, we investigated diffusive hydrogenation reactions of carbon monoxide (CO) embedded in amorphous solid water (ASW) as a model case and discovered that the hydrogenation of CO efficiently proceeds to yield H2CO and CH3OH even above 20 K when CO is buried beneath ASW. The experimental results suggest that hydrogen atoms diffuse through the cracks of ASW and have a sufficient residence time to react with embedded CO. The hydrogenation reactions occurred even at temperatures up to ∼70 K. Cracks collapse at elevated temperatures but the occurrence of hydrogenation reactions means that the cracks would not completely disappear and remain large enough for penetration by hydrogen atoms. Considering the hydrogen-atom fluence in the laboratory and molecular clouds, we suggest that the penetration of hydrogen and its reactions within the ice mantle occur in astrophysical environments.

Formation pathways of complex organic molecules: OH• projectile colliding with methanol ice mantle (CH3OH)10

In this article, we simulated the collisions of an OH• projectile impacting on a methanol cluster formed by ten units of methanol to mimic an ice mantle (CH3OH)10. The chemical processes occurring after the impact were studied through Born-Oppenheimer (ab-initio) molecular dynamics. We focus on collisions with initial kinetic impact energy of 10–22 eV, where the richest chemistry happens. We report the formation mechanisms of stable complex organic molecules (COMs) such as methoxymethanol CH3OCH2OH, formic acid HCOOH, formyl radical HCO, formaldehyde H2CO and its elusive HCOH isomer. We show that CH2(OH)2, •CH2OH or +CH2OH are key intermediates to generate H2CO and other COMs. We compare the outcomes using OH• with those using OH− projectiles. These processes are likely relevant to the production of COMs in astrophysical environments. We discuss its formation mechanism and the astrophysical implications of these chemical pathways in star-forming regions.

Collisions between ice-covered silica grains: An atomistic study

We use molecular dynamics simulation to study collisions of silica grains covered by an ice mantle. Such heterogeneous particles may belong to debris disks of planetary systems below the snow line. For hydroxylated silica spheres, our results of the bouncing velocity obtained for nm-sized grains extrapolate well to experimental results for μm-sized particles. However, with increasing thickness of the ice mantle, the bouncing velocity strongly increases while the coefficient of restitution is reduced, meaning that the inelastic losses increase. An analysis of the processes occurring during the collision of two core–mantle grains shows that the ice mantle in the collision zone is strongly heated during the collision-induced compression. Temperatures surpass the triple point of water such that the ice may melt and become soft enough to yield sideways during the collision, dissipating collision energy. The ice thus acts both as a ‘cushion’ to soften the collision dynamics and as a glue to bind the two grains together. As a consequence of the energy dissipation, the bouncing velocity increases with increasing mantle thickness. The consequences of our findings on collisions of larger ice-coated grains are discussed. We conclude that collision-induced heating constitutes an important process in the collision of ice-covered grains, since it changes the collision physics from a ‘dry’ to a ‘wet’ contact.

Late Holocene (0–6 ka) sea-level changes in the Makassar Strait, Indonesia

Abstract. The Spermonde Archipelago, off the coast of southwest Sulawesi, consists of more than 100 small islands and hundreds of shallow-water reef areas. Most of the islands are bordered by coral reefs that grew in the past in response to paleo relative sea-level changes. Remnants of these reefs are preserved today in the form of fossil microatolls. In this study, we report the elevation, age, and paleo relative sea-level estimates derived from fossil microatolls surveyed in five islands of the Spermonde Archipelago. We describe 24 new sea-level index points, and we compare our dataset with both previously published proxies and with relative sea-level predictions from a set of 54 glacial isostatic adjustment (GIA) models, using different assumptions on both ice melting histories and mantle structure and viscosity. We use our new data and models to discuss Late Holocene (0–6 ka) relative sea-level changes in our study area and their implications in terms of modern relative sea-level estimates in the broader South and Southeast Asia region.