Multistage transformation and charge effect during the fragmentation phase transition in atomic clusters

Qian, D B; Ma, Xingxiao; Chen, Z.; Li, B.; Zhu, Xiwen; Zhang, S. F.; Martin, S.; Brédy, R.; Bernard, J.; Chen, L.

doi:10.1103/physreva.87.063201

Cited by 6 publications

(4 citation statements)

References 28 publications

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“…The hysteretic behavior has already been observed in the molecular simulations for the case of two atomic ions in clusters . While the phase transitions in the finite systems (e.g., between the one droplet and the two droplets, that we study in the present work) should be different with respect to the ordinary phase transitions, which are observed in the bulk infinite systems, the existence and the definition of such phase transitions in the finite systems (in particular, a “fragmentation transition”) have already been explored in the literature. − …”

Section: Resultsmentioning

confidence: 62%

“…Finally, let us note that the single droplet breakup can be regarded as a manifestation of the “fragmentation phase transition” in a finite system which is analogous to the liquid–gas transition in an infinite system. − Such transition is of the first order; it describes the coexistence of the different fragmented states, where the hysteresis is a natural phenomenon, inherent to the system.…”

Section: Discussionmentioning

confidence: 99%

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Interactions between Carbon Nanoparticles in a Droplet of Organic Solvent

2014

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We report the first detailed molecular dynamics study of two carbon nanoparticles (nanotubes or fullerenes) embedded in a droplet of chloroform. The carbon nanoparticles are negatively charged and are accompanied by the positive counterions of sodium. On the one hand, this setup is inspired by the carbon nanoparticle salts“nanotubides” and “fullerides”proposed recently as a convenient way to address the difficult problem of the dispersion of carbon nanoparticulates in the organic solvents. On the other hand, the electrospray of carbon nanoparticle suspensions has been shown to be a promising technique for the production of thin nanoparticle coatings. We explore the combination of these two approaches by using molecular simulations. We find that depending on the overall electrostatic charge balance the two nanoparticles can exist in the droplet either in the “salted-out” bound state or in a “solvent-separated” state. The latter opens up the possibility for the efficient dispersion of the nanoparticles in the charged droplet environment. We also find that depending on the charge of the nanoparticles the mother droplet may break evenly or unevenly with respect to the mass but evenly with respect to charge. The understanding of the fragmentation paths and the intermolecular interactions of the nanoparticles in droplets provides insight into the manner that the droplet chemistry can be manipulated so that effective dispersion of nanoparticulates can be achieved.

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Section: Resultsmentioning

confidence: 62%

Section: Discussionmentioning

confidence: 99%

Interactions between Carbon Nanoparticles in a Droplet of Organic Solvent

2014

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“…There is, however, a long tail extending past 100 eV. The lowest dissociation energy of C 60 ions is about 10 eV for C 2 loss (Tomita et al 2001), and about 40 eV is required to activate these processes on microsecond timescales (Qian et al 2013). Furthermore, the electron affinity of C 60 is only 2.7 eV (Støchkel & Andersen 2013;Huang et al 2014).…”

Section: Desiree Measurementsmentioning

confidence: 99%

Stability of C₅₉ Knockout Fragments from Femtoseconds to Infinity

Gatchell,

Florin,

Indrajith

et al. 2024

ApJ

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We have studied the stability of C59 anions as a function of time, from their formation on femtosecond timescales to their stabilization on second timescales and beyond, using a combination of theory and experiments. The C 59 − fragments were produced in collisions between C60 fullerene anions and neutral helium gas at a velocity of 90 km s−1 (corresponding to a collision energy of 166 eV in the center-of-mass frame). The fragments were then stored in a cryogenic ion beam storage ring at the DESIREE facility, where they were followed for up to 1 minute. Classical molecular dynamics simulations were used to determine the reaction cross section and the excitation energy distributions of the products formed in these collisions. We find that about 15% of the C 59 − ions initially stored in the ring are intact after about 100 ms and that this population then remains intact indefinitely. This means that C60 fullerenes exposed to energetic atoms and ions, such as stellar winds and shock waves, will produce stable, highly reactive products, like C59, that are fed into interstellar chemical reaction networks.

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“…Actually, the C 60 fragmentation has been frequently discussed in terms of equilibrium statistical mechanics, and of its possible association with a phase transition. [17][18][19][20][21] Specifically, Campbell et al 17 and Hussien et al 20 presented two completely different theoretical models treating the C 60 fragmentation as a phase transition and predicted that the critical point occurs at almost constant temperature covering a wide excitation energy region. Subsequently, our group 18 experimentally investigated the relation between the temperature and the excitation energy (caloric curve) of a fragmenting C 60 system.…”

Section: Introductionmentioning

confidence: 99%

New insight into power-law behavior of fragment size distributions in the C60 multifragmentation regime

Qian

Chen

et al. 2014

The Journal of Chemical Physics

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Previous experimental work has shown that a phase transition in C60 multifragmentation induced by nanosecond laser occurs at almost constant temperature covering a wide range of laser fluency. Here the relative yields of ionic fragments (IFs) C(n)(+) (n = 1-20) resulting from the multifragmentation are measured within the phase transition region. By excluding two small IFs and magic IFs due to their abnormal behavior, the data for residual IFs are used to estimate the size distributions of primary intermediate-mass IFs in the multifragmentation regime. The distributions are found to obey power laws n(-τ). Furthermore, the exponent τ values have sensitive dependence on lower laser fluency and converge to a constant of about 2.4 ± 0.2 for larger fluencies. These observations are in good agreement with an explanation based on the Fisher droplet model, offering the tantalizing possibility of a liquid-to-gas phase transition in C60 systems.

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Multistage transformation and charge effect during the fragmentation phase transition in atomic clusters

Cited by 6 publications

References 28 publications

Interactions between Carbon Nanoparticles in a Droplet of Organic Solvent

Interactions between Carbon Nanoparticles in a Droplet of Organic Solvent

Stability of C₅₉ Knockout Fragments from Femtoseconds to Infinity

New insight into power-law behavior of fragment size distributions in the C60 multifragmentation regime

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Multistage transformation and charge effect during the fragmentation phase transition in atomic clusters

Cited by 6 publications

References 28 publications

Interactions between Carbon Nanoparticles in a Droplet of Organic Solvent

Interactions between Carbon Nanoparticles in a Droplet of Organic Solvent

Stability of C59 Knockout Fragments from Femtoseconds to Infinity

New insight into power-law behavior of fragment size distributions in the C60 multifragmentation regime

Contact Info

Product

Resources

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Stability of C₅₉ Knockout Fragments from Femtoseconds to Infinity