TITLE

Fast reaction mechanism of a core(Al)-shell (Al2O3) nanoparticle in oxygen

AUTHOR(S)
Weiqiang Wang; Clark, Richard; Nakano, Aiichiro; Kalia, Rajiv K.; Vashishta, Priya
PUB. DATE
December 2009
SOURCE
Applied Physics Letters;12/28/2009, Vol. 95 Issue 26, p261901
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Atomistic mechanisms of oxidation in a laser flash heated core (Aluminum)-shell (Alumina) nanoparticle are investigated using multimillion-atom molecular dynamics simulations. We find a thermal-to-mechanochemical transition of oxidation mechanism when the initial core temperature is above 6000 K. The transition from thermal diffusion to mechanically enhanced diffusion to ballistic transport is accompanied by a change in the intermediate reaction products from Al rich Al2O to oxygen rich AlO2 clusters. Higher initial temperature of the core causes catastrophic failure of the shell, which provides direct oxidation pathways for core Al, resulting in faster energy release.
ACCESSION #
47244492

 

Related Articles

  • On the energy dependence of the steric effect for atom–molecule reactive scattering. II. The reaction Ca(1D)+CH3F(JKM=111)→CaF(2Π)+CH3. Meijer, Anthony J. H. M.; Groenenboom, Gerrit C.; van der Avoird, Ad // Journal of Chemical Physics;11/1/1994, Vol. 101 Issue 9, p7603 

    The observed increase in the steric effect of the reaction Ca(1D)+CH3F(JKM=111) →CaF(2Π)+CH3 with increasing energy has been tentatively ascribed to a reorientation of the initially oriented CH3F axis, due to anisotropic long-range forces [M. H. M. Janssen, D. H. Parker, and S. Stolte,...

  • Calculation of the heat flux in a plane layer of a diatomic gas with allowance for energy accommodation. Savkov, S. A.; Tyul'kina, E. Yu // Technical Physics;Feb2006, Vol. 51 Issue 2, p168 

    The heat flux in a plane layer of a diatomic gas is calculated in an approximation linear in temperature difference. General expressions (independent of the form of the kinetic equation and the solution method) for the heat flux as a function of the energy accommodation coefficient are derived....

  • Energy transport and isochoric heating of a low-Z, reduced-mass target irradiated with a high intensity laser pulse. Nishimura, H.; Mishra, R.; Ohshima, S.; Nakamura, H.; Tanabe, M.; Fujiwara, T.; Yamamoto, N.; Fujioka, S.; Batani, D.; Veltcheva, M.; Desai, T.; Jafer, R.; Kawamura, T.; Sentoku, Y.; Mancini, R.; Hakel, P.; Koike, F.; Mima, K. // Physics of Plasmas;Feb2011, Vol. 18 Issue 2, p022702 

    Heat transport in reduced-mass targets irradiated with a high intensity laser pulse was studied. Kα lines from partially ionized chlorine embedded in the middle of a triple-layered plastic target were measured to evaluate bulk electron temperature in the tracer region inside the target. Two...

  • AFM, a tool for single-molecule experiments. Ludwig, M.; Rief, M.; Schmidt, L.; Li, H.; Oesterhelt, F.; Gautel, M.; Gaub, H.E. // Applied Physics A: Materials Science & Processing;1999, Vol. 68 Issue 2, p173 

    Abstract. Force versus elongation curves measured with AFM-related techniques reveal a detailed insight into material properties at the molecular level. Here an overview on different implementations of this technique is given. The lateral distribution of a receptor on a sample surface was...

  • Ground-state energy of a classical artificial molecule. Cândido, L.; Fonseca, T. L.; Teixeira Rabelo, J. N.; Hai, G.-Q. // European Physical Journal B -- Condensed Matter;Jul2008, Vol. 64 Issue 1, p81 

    We study the ground-state energy of a classical artificial molecule formed by two-dimensional clusters (artificial atoms) of N/2 charged particles separated by a distance d. For the small molecules of N = 2 and 4, we obtain analytical expressions for this energy. For the larger ones, we...

  • Reactive quenching of OD A 2Σ+ by H2: Translational energy distributions for H- and D-atom product channels. Lehman, Julia H.; Bertrand, Jesse L.; Stephenson, Thomas A.; Lester, Marsha I. // Journal of Chemical Physics;10/14/2011, Vol. 135 Issue 14, p144303 

    The H- and D-atom products from collisional quenching of OD A 2Σ+ by H2 are characterized through Doppler spectroscopy using two-photon (2 2S ←← 1 2S) laser-induced fluorescence. Partial deuteration enables separation of the channel forming H + HOD products, which accounts for 75%...

  • Quasi-localization and quasi-mobility edge for light atoms mixed with heavy ones. Kogan, E. // European Physical Journal B -- Condensed Matter;Jan2008, Vol. 61 Issue 2, p181 

    A mixture of light and heavy atoms is considered. We study the kinetics of the light atoms, scattered by the heavy ones, the latter undergoing slow diffusive motion. In three-dimensional space we claim the existence of a crossover region (in energy), which separates the states of the light atoms...

  • EXTENSION OF FRAGMENTATION PROCESS IN A KINETIC-DIFFUSIVE-WAVE SYSTEM. DOUNGMO GOUFO, Emile Franc; ATANGANA, Abdon // Thermal Science;2015 Supplement, Vol. 19, pS13 

    Alternative methods are used to set conditions and investigate, in the space L1(R³ × R+ mdmdx) the well-posedness of a fractional fragmentation process in a kinetic-diffusive-wave medium. In the analysis, three separate models of diffusion are studied. Techniques like separation of...

  • Light-induced conical intersections in polyatomic molecules: General theory, strategies of exploitation, and application. Demekhin, Philipp V.; Cederbaum, Lorenz S. // Journal of Chemical Physics;Oct2013, Vol. 139 Issue 15, p154314 

    When the carrier frequency of a laser pulse fits to the energy difference between two electronic states of a molecule, the potential energy surfaces of these states dressed by the field become energetically close and the states can couple strongly to each other. Recently, it has been predicted...

Share

Read the Article

Courtesy of VIRGINIA BEACH PUBLIC LIBRARY AND SYSTEM

Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics