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Aigen Li

Publications and source records attributed to Aigen Li.

At least 37 records · Page 2Linked to original sources
arXiv2024

Infrared Emission of Specific Polycyclic Aromatic Hydrocarbon Molecules: Indene

Polycyclic aromatic hydrocarbon (PAH) molecules have long been suggested to be present in the interstellar medium (ISM). Nevertheless, despite their expected ubiquity and sustained searching efforts, identifying specific interstellar PAH molecules from their infrared (IR) spectroscopy has so far been unsuccessful. However, due to its unprecedented sensitivity, the advent of the James Webb Space Telescope (JWST) may change this. Meanwhile, recent years have witnessed breakthroughs in detecting specific PAH molecules (e.g., indene, cyanoindene, and cyanonaphthalene) through their rotational lines in the radio frequencies. As JWST holds great promise for identifying specific PAH molecules in the ISM based on their vibrational spectra in the IR, in this work we model the vibrational excitation of indene, a molecule composed of a six-membered benzene ring fused with a five-membered cyclopentene ring, and calculate its IR emission spectra for a number of representative astrophysical regions. This will facilitate JWST to search for and identify indene in space through its vibrational bands and to quantitatively determine or place an upper limit on its abundance.

astro-ph.GA↗
arXiv2024

Dust and Volatiles in the Disintegrating Comet C/2019 Y4 (ATLAS)

C/2019 Y4 (ATLAS) is an Oort cloud comet with an orbital period of $\sim$5895$\,{\rm yr}$. Starting in March 2020, its nucleus underwent disintegration. In order to investigate the gas and dust properties of C/2019 Y4 (ATLAS) during its disintegration, we obtained long-slit spectra at 3600--8700$\,{\rm\mathring{A}}$ and $BVRI$ multi-band images with the Xinglong 2.16-Meter Telescope in April 2020. Our observations revealed that C/2019 Y4 (ATLAS) exhibited strong emission bands of CN, C$_2$, C$_3$, and NH$_2$ which are superimposed on a dust scattering continuum, typical of cometary spectra in the optical. The production rates of CN, C$_2$, and C$_3$ derived using the Haser model and the corresponding C$_2$/CN and C$_3$/CN ratios suggest that C/2019 Y4 (ATLAS) is a ``typical'' Oort cloud comet under the A'Hearn classification, although it appears less dusty as revealed by the $Afρ$ quantities. Its dust-scattering reflectivity is slightly red, with a gradient of $\sim$5% per $10^3\,{\rm\mathring{A}}$. We model the reflectivity gradient in terms of porous dust and find that the red color is accounted for by porous dust.

astro-ph.EP↗
arXiv2023

Simulations of the Visible, Infrared and Terahertz Properties of Doped Cyclo[18]carbon Molecules Using Tuned Exchange-Correlation Potential

Cyclocarbon molecules are critical in understanding the carbon structure formation and the nature of the interaction between carbon atoms. In cyclocarbons, light elements such as H, O and N may interplay with rings to form doped cyclocarbon molecules. Such molecules show unique optical properties that have never been reported before. In this study, density functional theory with a tuned PBE functional (39% HF exchange) is employed to study the ground and excited states of a cyclo[18] carbon molecule (C18) and its doped variants C18M (M = H, Be, B, N, and O). The doping is shown to either make the UV-Vis spectra of C18 blue- or red-shifted depending on the spin brought by the dopant. Furthermore, introducing extra-atoms is found to cause the emergence of a new set of infrared modes in the structure under investigation. Finally, applying the molecular dynamic simulations enables one to observe the terahertz characteristics of C18M with frequencies up to 1.5 THz due to the propagation of a particular pattern along the carbon ring.

cond-mat.mes-hall↗
arXiv2023

PDRs4All III: JWST's NIR spectroscopic view of the Orion Bar

(Abridged) We investigate the impact of radiative feedback from massive stars on their natal cloud and focus on the transition from the HII region to the atomic PDR (crossing the ionisation front (IF)), and the subsequent transition to the molecular PDR (crossing the dissociation front (DF)). We use high-resolution near-IR integral field spectroscopic data from NIRSpec on JWST to observe the Orion Bar PDR as part of the PDRs4All JWST Early Release Science Program. The NIRSpec data reveal a forest of lines including, but not limited to, HeI, HI, and CI recombination lines, ionic lines, OI and NI fluorescence lines, Aromatic Infrared Bands (AIBs including aromatic CH, aliphatic CH, and their CD counterparts), CO2 ice, pure rotational and ro-vibrational lines from H2, and ro-vibrational lines HD, CO, and CH+, most of them detected for the first time towards a PDR. Their spatial distribution resolves the H and He ionisation structure in the Huygens region, gives insight into the geometry of the Bar, and confirms the large-scale stratification of PDRs. We observe numerous smaller scale structures whose typical size decreases with distance from Ori C and IR lines from CI, if solely arising from radiative recombination and cascade, reveal very high gas temperatures consistent with the hot irradiated surface of small-scale dense clumps deep inside the PDR. The H2 lines reveal multiple, prominent filaments which exhibit different characteristics. This leaves the impression of a "terraced" transition from the predominantly atomic surface region to the CO-rich molecular zone deeper in. This study showcases the discovery space created by JWST to further our understanding of the impact radiation from young stars has on their natal molecular cloud and proto-planetary disk, which touches on star- and planet formation as well as galaxy evolution.

astro-ph.GA↗
arXiv2023

PDRs4All IV. An embarrassment of riches: Aromatic infrared bands in the Orion Bar

(Abridged) Mid-infrared observations of photodissociation regions (PDRs) are dominated by strong emission features called aromatic infrared bands (AIBs). The most prominent AIBs are found at 3.3, 6.2, 7.7, 8.6, and 11.2 $μ$m. The most sensitive, highest-resolution infrared spectral imaging data ever taken of the prototypical PDR, the Orion Bar, have been captured by JWST. We provide an inventory of the AIBs found in the Orion Bar, along with mid-IR template spectra from five distinct regions in the Bar: the molecular PDR, the atomic PDR, and the HII region. We use JWST NIRSpec IFU and MIRI MRS observations of the Orion Bar from the JWST Early Release Science Program, PDRs4All (ID: 1288). We extract five template spectra to represent the morphology and environment of the Orion Bar PDR. The superb sensitivity and the spectral and spatial resolution of these JWST observations reveal many details of the AIB emission and enable an improved characterization of their detailed profile shapes and sub-components. While the spectra are dominated by the well-known AIBs at 3.3, 6.2, 7.7, 8.6, 11.2, and 12.7 $μ$m, a wealth of weaker features and sub-components are present. We report trends in the widths and relative strengths of AIBs across the five template spectra. These trends yield valuable insight into the photochemical evolution of PAHs, such as the evolution responsible for the shift of 11.2 $μ$m AIB emission from class B$_{11.2}$ in the molecular PDR to class A$_{11.2}$ in the PDR surface layers. This photochemical evolution is driven by the increased importance of FUV processing in the PDR surface layers, resulting in a "weeding out" of the weakest links of the PAH family in these layers. For now, these JWST observations are consistent with a model in which the underlying PAH family is composed of a few species: the so-called 'grandPAHs'.

astro-ph.GA↗
arXiv2023

PDRs4All II: JWST's NIR and MIR imaging view of the Orion Nebula

The JWST has captured the most detailed and sharpest infrared images ever taken of the inner region of the Orion Nebula, the nearest massive star formation region, and a prototypical highly irradiated dense photo-dissociation region (PDR). We investigate the fundamental interaction of far-ultraviolet photons with molecular clouds. The transitions across the ionization front (IF), dissociation front (DF), and the molecular cloud are studied at high-angular resolution. These transitions are relevant to understanding the effects of radiative feedback from massive stars and the dominant physical and chemical processes that lead to the IR emission that JWST will detect in many Galactic and extragalactic environments. Due to the proximity of the Orion Nebula and the unprecedented angular resolution of JWST, these data reveal that the molecular cloud borders are hyper structured at small angular scales of 0.1-1" (0.0002-0.002 pc or 40-400 au at 414 pc). A diverse set of features are observed such as ridges, waves, globules and photoevaporated protoplanetary disks. At the PDR atomic to molecular transition, several bright features are detected that are associated with the highly irradiated surroundings of the dense molecular condensations and embedded young star. Toward the Orion Bar PDR, a highly sculpted interface is detected with sharp edges and density increases near the IF and DF. This was predicted by previous modeling studies, but the fronts were unresolved in most tracers. A complex, structured, and folded DF surface was traced by the H2 lines. This dataset was used to revisit the commonly adopted 2D PDR structure of the Orion Bar. JWST provides us with a complete view of the PDR, all the way from the PDR edge to the substructured dense region, and this allowed us to determine, in detail, where the emission of the atomic and molecular lines, aromatic bands, and dust originate.

astro-ph.GA↗
arXiv2023

Synergies between interstellar dust and heliospheric science with an Interstellar Probe

We discuss the synergies between heliospheric and dust science, the open science questions, the technological endeavors and programmatic aspects that are important to maintain or develop in the decade to come. In particular, we illustrate how we can use interstellar dust in the solar system as a tracer for the (dynamic) heliosphere properties, and emphasize the fairly unexplored, but potentially important science question of the role of cosmic dust in heliospheric and astrospheric physics. We show that an Interstellar Probe mission with a dedicated dust suite would bring unprecedented advances to interstellar dust research, and can also contribute-through measuring dust - to heliospheric science. This can, in particular, be done well if we work in synergy with other missions inside the solar system, thereby using multiple vantage points in space to measure the dust as it `rolls' into the heliosphere. Such synergies between missions inside the solar system and far out are crucial for disentangling the spatially and temporally varying dust flow. Finally, we highlight the relevant instrumentation and its suitability for contributing to finding answers to the research questions.

astro-ph.IM↗
arXiv2023

Polycyclic Aromatic Hydrocarbon Molecules and the 2175 Angstrom Interstellar Extinction Bump

The exact nature of the 2175 Angstrom extinction bump, the strongest spectroscopic absorption feature superimposed on the interstellar extinction curve, remains unknown ever since its discovery in 1965. Popular candidate carriers for the extinction bump include nano-sized graphitic grains and polycyclic aromatic hydrocarbon (PAH) molecules. To quantitatively evaluate PAHs as a possible carrier, we perform quantum chemical computations for the electronic transitions of 30 compact, pericondensed PAH molecules and their cations as well as anions with a wide range of sizes from 16 to 96 C atoms and a mean size of 43 C atoms. It is found that a mixture of such PAHs, which individually exhibit sharp absorption features, show a smooth and broad absorption band that resembles the 2175 Angstrom interstellar extinction bump. Arising from π^{*} --π, the width and intensity of the absorption bump for otherwise randomly-selected and uniformly-weighted PAH mixtures, do not vary much with PAH sizes and charge states, whereas the position shifts to longer wavelengths as PAH size increases. While the computed bump position, with the computational uncertainty taken into account, appears to agree with that of the interstellar extinction bump, the computed width is considerably broader than the interstellar bump if the molecules are uniformly weighted. It appears that, to account for the observed bump width, one has to resort to PAH species of specific sizes and structures.

astro-ph.GA↗
arXiv2023

The 2175 Angstrom Interstellar Extinction Bump: Is the Wavelength Variable?

The most striking characteristics of the mysterious 2175 Angstrom extinction bump, the strongest spectroscopic absorption feature seen on the interstellar extinction curve, are the invariant central wavelength and variable bandwidth: its peak position at 2175 Angstrom is remarkably constant while its bandwidth varies from one line of sight to another. However, recent studies of the lines of sight toward a number of Herbig Ae/Be stars have revealed that the extinction bump exhibits substantial shifts from the canonical wavelength of 2175 Angstrom. In this work we revisit these lines of sight and take a physical approach to determine the ultraviolet (UV) extinction curve for each line of sight. It is found that the wavelengths of the derived UV extinction bumps are around 2200 Angstrom and the scatters are considerably smaller than that of the previous study based on the same set of Herbig Ae/Be stars, consistent with the conventional wisdom. Nevertheless, the scatters are still appreciably larger than that associated with the nominal bump position of 2175 Angstrom. This is discussed in the context that Herbig Ae/Be stars are not well-suited for interstellar extinction studies.

astro-ph.GA↗
arXiv2023

Aliphatics and Aromatics in the Universe: The Pre-JWST Era

The so-called "unidentified infrared emission" (UIE) features at 3.3, 6.2, 7.7, 8.6, and 11.3 micron ubiquitously seen in a wide variety of astrophysical regions are generally attributed to polycyclic aromatic hydrocarbon (PAH) molecules. Astronomical PAHs often have an aliphatic component (e.g., aliphatic sidegroups like methyl --CH3 may be attached as functional groups to PAHs) as revealed by the detection in many UIE sources of the aliphatic C--H stretching feature at 3.4 micron. With its unprecedented sensitivity, unprecedented spatial resolution and high spectral resolution, the James Webb Space Telescope (JWST) holds great promise for evolutionizing the studies of aliphatics and aromatics in the universe. To facilitate analyzing JWST observations, we present a theoretical framework for determining the aliphatic fractions (η_ali) of PAHs, the fractions of C atoms in aliphatic units, from the emission intensity ratios of the 3.4 micron feature to the 3.3 micron feature. To demonstrate the effectiveness of this framework, we compile the 3.3 and 3.4 micron UIE data obtained in the pre-JWST era for an as complete as possible sample, and then apply the framework to these pre-JWST data. We derive a median aliphatic fraction of <η_ali>=5.4\% and find that the aliphatic fractions are the highest in protoplanetary nebulae illuminated by cool stars lacking ultraviolet radiation. Nevertheless, the "hardness" of stellar photons is not the only factor affecting the PAH aliphaticity, other factors such as the starlight intensity may also play an important role.

astro-ph.GA↗
arXiv2023

Deuterated Polycyclic Aromatic Hydrocarbons in the Interstellar Medium: The Aliphatic C--D Band Strengths

Deuterium (D) was exclusively generated in the Big Bang and the standard Big Bang Nucleosynthesis (BBN) model predicts a primordial abundance of D/H~26ppm. As the Galaxy evolves, D/H gradually decreases because of astration. The Galactic chemical evolution (GCE) model predicts a present-day abundance of D/H~20ppm. However, observations of the local interstellar medium (ISM) have revealed that the gas-phase interstellar D/H varies considerably from one region to another and has a median abundance of D/H~13ppm, substantially lower than predicted from the BBN and GCE models. It has been suggested that the missing D atoms of D/H~7ppm could have been locked up in deuterated polycyclic aromatic hydrocarbon (PAH) molecules. However, we have previously demonstrated that PAHs with aromatic C--D units are insufficient to account for the missing D. Here we explore if PAHs with aliphatic C--D units could be a reservoir of D. We perform quantum chemical computations of the vibrational spectra of "superdeuterated" PAHs (in which one D and one H share an C atom) and PAHs attached with D-substituted methyl group, and derive the band strengths of the aliphatic C--D stretch (A_4.65). By applying the computationally derived A_4.65 to the observed aliphatic C--D emission at ~4.6--4.8 micron, we find that PAHs with aliphatic C--D units could have tied up a substantial amount of D/H and marginally account for the missing D. The possible routes to generate PAHs with aliphatic C--D units are also discussed.

astro-ph.GA↗
arXiv2023

Towards a reliable prediction of the infrared spectra of cosmic fullerenes and their derivatives in the JWST era

Fullerenes, including C60, C70, and C60+, are widespread in space through their characteristic infrared vibrational features (C60+ also reveals its presence in the interstellar medium through its electronic transitions) and offer great insights into the carbon chemistry and stellar evolution. The potential existence of fullerene-related species in space has long been speculated and recently put forward by a set of laboratory experiments of C60+, C60H+, C60O+, C60OH+, C70H+, and [C60-Metal]+ complexes. The advent of the James Webb Space Telescope (JWST) provides a unique opportunity to search for these fullerene-related species in space. To facilitate JWST search, analysis, and interpretation, an accurate knowledge of their vibrational properties is essential. Here, we compile a VibFullerene database and conduct a systematic theoretical study on those species. We derive a set of range-specific scaling factors for vibrational frequencies, to account for the deficiency of density functional theory calculations in predicting the accurate frequencies. Scaling factors with low root-mean-square and median errors for the frequencies are obtained, and their performance is evaluated, from which the best-performing methods are recommended for calculating the infrared spectra of fullerene derivatives which balance the accuracy and computational cost. Finally, the recommended vibrational frequencies and intensities of fullerene derivatives are presented for future JWST detection.

astro-ph.GA↗
arXiv2023

Spatially resolving polycyclic aromatic hydrocarbons in Herbig Ae disks with VISIR-NEAR at the VLT

We use the long-slit spectroscopy mode of the VISIR-NEAR experiment to perform diffraction-limited observations of eight nearby Herbig Ae protoplanetary disks. We extract spectra for various locations along the slit with a spectral resolution of R = 300 and perform a compositional fit at each spatial location using spectral templates of silicates and the four PAH bands. This yields the intensity vs. location profiles of each species. Results. We could obtain spatially-resolved intensity profiles of the PAH emission features in the N-band for five objects (AB Aurigae, HD 97048, HD 100546, HD 163296, and HD 169142). We observe two kinds of PAH emission geometry in our sample: centrally-peaked (HD 97048) and ring-like (AB Aurigae, HD 100546, HD 163296, and potentially HD 169142). Comparing the spatial PAH emission profiles with near-infrared scattered light images, we find a strong correlation in the disk sub-structure but a difference in radial intensity decay rate. The PAH emission shows a less steep decline with distance from the star. Finally, we find a correlation between the presence of (sub-) micron-sized silicate grains leading to the depletion of PAH emission within the inner regions of the disks. In this work, we find the following: (1) PAH emission traces the extent of Herbig Ae disks to a considerable radial distance. (2) The correlation between silicate emission within the inner regions of disks and the depletion of PAH emission can result from dust-mixing and PAH coagulation mechanisms and competition over UV photons. (3) For all objects in our sample, PAHs undergo stochastic heating across the entire spatial extent of the disk and are not saturated. (4) The difference in radial intensity decay rates between the PAHs and scattered-light profiles may be attributed to shadowing and dust-settling effects, which affect the scattering grains more than the PAHs.

astro-ph.EP↗
arXiv2023

Classifying Protoplanetary disks Infrared Spectrum and Analysis by c-C$_3$H$_2$ C$_5$H$_5$ C$_9$H$_7$ C$_{12}$H$_8$ C$_{23}$H$_{12}$ and C$_{53}$H$_{18}$ to be Capable Template for Biological Molecule

Protoplanetary disk around a just born young star contains a lot of cosmic dust. especially polycyclic-aromatic-hydrocarbon (PAH), which would become basic component to create biological organics. This study classified many astronomically observed infrared spectra of protoplanetary disks to three typical spectra. Type-A show well known astronomical bands of 6.2, 7.8, 8.6 and 11.3 micrometer. Whereas Type-B included unknown complex bands. Type-(A+B) was their mixed type. We tried to find specific molecule by Density Functional Theory (DFT) calculation. We found that Type-A could be explained by large PAH molecules of (C$_{23}$H$_{12}$) and (C$_{53}$H$_{18}$), which are hexagon-pentagon combined molecular structure. Background molecule of Type-B was smaller ones of (c-C$_3$H$_2$), (C$_5$H$_5$), (C$_9$H$_7$) and (C$_{12}$H$_8$). Type-(A+B) was reproduced well by mixing those molecules of A and B. Astronomical detailed observation shows that central star of Type-A has larger mass and higher temperature than that of Type-B. This suggests that at very early stage of our solar system, our protoplanetary disk had been made up by Type-B molecules. It was interesting that (C$_5$H$_5$) and (C$_9$H$_7$) of Type-B molecules has similar molecular structure with biological nucleic-acid on our earth. Type-B molecules was supposed to become the template for synthesizing biological organics and finally for creating our life.

astro-ph.GA↗
arXiv2022

Evidence that Shocks Destroy Small PAH Molecules in Low-luminosity Active Galactic Nuclei

We combined mapping-mode mid-infrared Spitzer spectra with complementary infrared imaging to perform a spatially resolved study of polycyclic aromatic hydrocarbons (PAHs) emission from the central regions of 66 nearby galaxies, roughly evenly divided into star-forming systems and low-luminosity active galactic nuclei (AGNs). In conjunction with similar measurements available for quasars, we aim to understand the physical properties of PAHs across a broad range of black hole accretion power, with the goal of identifying observational diagnostics that can be used to probe the effect of AGNs on the host galaxy. Whereas the PAH emission correlates tightly with far-ultraviolet luminosity in star-forming regions, the spatially resolved regions of AGNs tend to be PAH-deficient. Moreover, AGN regions exhibit on average smaller PAH 6.2 μm/7.7 μm and larger PAH 11.3 μm/7.7 μm band ratios. Although the current data are highly restrictive, they suggest that these anomalous PAH band ratios cannot be explained by the effects of the AGN radiation field alone. Instead, they hint that small grains may be destroyed by the combined effects of radiative processes and shocks, which are plausibly linked to jets and outflows preferentially associated with highly sub-Eddington, radiatively inefficient AGNs. While quasars also present a PAH deficit and unusual PAH band ratios, their characteristics differ in detail compared to those observed in more weakly accreting AGNs, a possible indicator of fundamental differences in their modes of energy feedback.

astro-ph.GA↗
arXiv2022

PDRs4All: A JWST Early Release Science Program on radiative feedback from massive stars

Massive stars disrupt their natal molecular cloud material through radiative and mechanical feedback processes. These processes have profound effects on the evolution of interstellar matter in our Galaxy and throughout the Universe, from the era of vigorous star formation at redshifts of 1-3 to the present day. The dominant feedback processes can be probed by observations of the Photo-Dissociation Regions (PDRs) where the far-ultraviolet photons of massive stars create warm regions of gas and dust in the neutral atomic and molecular gas. PDR emission provides a unique tool to study in detail the physical and chemical processes that are relevant for most of the mass in inter- and circumstellar media including diffuse clouds, proto-planetary disks and molecular cloud surfaces, globules, planetary nebulae, and star-forming regions. PDR emission dominates the infrared (IR) spectra of star-forming galaxies. Most of the Galactic and extragalactic observations obtained with the James Webb Space Telescope (JWST) will therefore arise in PDR emission. In this paper we present an Early Release Science program using the MIRI, NIRSpec, and NIRCam instruments dedicated to the observations of an emblematic and nearby PDR: the Orion Bar. These early JWST observations will provide template datasets designed to identify key PDR characteristics in JWST observations. These data will serve to benchmark PDR models and extend them into the JWST era. We also present the Science-Enabling products that we will provide to the community. These template datasets and Science-Enabling products will guide the preparation of future proposals on star-forming regions in our Galaxy and beyond and will facilitate data analysis and interpretation of forthcoming JWST observations.

astro-ph.GA↗
arXiv2021

C60 Cation as the Carrier of the 9577 and 9632 Angstrom Diffuse Interstellar Bands: Further Support from the VLT/X-Shooter Spectra

Ever since their first detection over 100 years ago, the mysterious diffuse interstellar bands (DIBs), a set of several hundred broad absorption features seen against distant stars in the optical and near infrared wavelength range, largely remain unidentified. The close match both in wavelengths and in relative strengths recently found between the experimental absorption spectra of gas-phase buckminsterfullerene ions (C60+) and four DIBs at 9632, 9577, 9428 and 9365 Angstrom (and, to a lesser degree, a weaker DIB at 9348 Angstrom) suggests C60+ as a promising carrier. However, arguments against the C60+ identification remain and are mostly concerned with the large variation in the intensity ratios of the 9632 and 9577 DIBs. In this work, we search for these DIBs in the ESO VLT/X-shooter archival data and identify the 9632, 9577, 9428 and 9365 Angstrom DIBs in a sample of 25 stars. While the 9428 and 9365 Angstrom DIBs are too noisy to allow any reliable analysis, the 9632 and 9577 Angstrom DIBs are unambiguously detected and, after correcting for telluric water vapor absorption, their correlation can be used to probe their origin. To this end, we select a sub-sample of nine hot, O- or B0-type stars of which the stellar Mg II contamination to the 9632 Angstrom DIB is negligibly small. We find their equivalent widths, after normalized by reddening to eliminate their common correlation with the density of interstellar clouds, exhibit a tight, positive correlation. This supports C60+ as the carrier of the 9632 and 9577 Angstrom DIBs.

astro-ph.GA↗
arXiv2021

Where have all the interstellar silicon carbides gone?

The detection of the 11.3-micron emission feature characteristic of the Si--C stretch in carbon-rich evolved stars reveals that silicon carbide (SiC) dust grains are condensed in the outflows of carbon stars. SiC dust could be a significant constituent of interstellar dust since it is generally believed that carbon stars inject a considerable amount of dust into the interstellar medium (ISM). The presence of SiC dust in the ISM is also supported by the identification of presolar SiC grains of stellar origin in primitive meteorites. However, the 11.3-micron absorption feature of SiC has never been seen in the ISM and oxidative destruction of SiC is often invoked. In this work we quantitatively explore the destruction of interstellar SiC dust through oxidation based on molecular dynamics simulations and density functional theory calculations. We find that the reaction of an oxygen atom with SiC molecules and clusters is exothermic and could cause CO-loss. Nevertheless, even if this is extrapolable to bulk SiC dust, the destruction rate of SiC dust through oxidation could still be considerably smaller than the (currently believed) injection rate from carbon stars. Therefore, the lack of the 11.3-micron absorption feature of SiC dust in the ISM remains a mystery. A possible solution may lie in the currently believed stellar injection rate of SiC (which may have been overestimated) and/or the size of SiC dust (which may actually be considerably smaller than submicron in size).

astro-ph.GA↗