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Volumn 310, Issue 16, 2008, Pages 3812-3819

Evaporation from the (1 1 0) surface of PETN

Author keywords

A1. Atomic force microscopy; A1. Computer simulation; A1. Diffusion; A1. Evaporation; A1. Monte Carlo simulations; A1. Thermogravimetric analysis; B1. Pentaerythritol tetranitrate

Indexed keywords

ACTIVATION ENERGY; ARRHENIUS PLOTS; CHEMICAL ACTIVATION; EVAPORATION; EXPLOSIVES; LANDFORMS; LINGUISTICS; MOISTURE; RADIATION DAMAGE; SURFACE STRUCTURE; VAPORS;

EID: 48049102123     PISSN: 00220248     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jcrysgro.2008.04.057     Document Type: Article
Times cited : (8)

References (27)
  • 9
    • 48049118252 scopus 로고    scopus 로고
    • R. Behrens, JOWOG Focused Exchange Meeting, 2003, Sandia National Lab. Albuquerque, NM.
    • R. Behrens, JOWOG Focused Exchange Meeting, 2003, Sandia National Lab. Albuquerque, NM.
  • 12
    • 48049101982 scopus 로고    scopus 로고
    • A.K. Burnham, R. Gee, A. Maiti, R. Qiu, P. Rajasekar, B.L. Weeks, L.A. Zepeda-Ruiz, LLNL Technical Report, UCRL-TR-216963, 2005.
    • A.K. Burnham, R. Gee, A. Maiti, R. Qiu, P. Rajasekar, B.L. Weeks, L.A. Zepeda-Ruiz, LLNL Technical Report, UCRL-TR-216963, 2005.
  • 16
    • 48049110129 scopus 로고    scopus 로고
    • The number of energy categories is obtained by calculating all possible combinations using 2 first, 8 second, and 4 third nearest-neighbors. Restricting interactions to the (1 1 0) surface of PETN reduces the number of possible energy categories from 135 to 63. This reduction is because any molecule on this surface must have at least 4 neighbors in the plane below (2 second and 2 third nearest-neighbors).
    • The number of energy categories is obtained by calculating all possible combinations using 2 first, 8 second, and 4 third nearest-neighbors. Restricting interactions to the (1 1 0) surface of PETN reduces the number of possible energy categories from 135 to 63. This reduction is because any molecule on this surface must have at least 4 neighbors in the plane below (2 second and 2 third nearest-neighbors).
  • 21
    • 48049095783 scopus 로고    scopus 로고
    • Every time a step crosses the boundary, it enters back on the opposite site at a lower level in height enforcing the existence of a constant number of steps during the simulation. See G.H. Gilmer, P. Bennema, J. Appl. Phys. 43 (1972) 11347.
    • Every time a step crosses the boundary, it enters back on the opposite site at a lower level in height enforcing the existence of a constant number of steps during the simulation. See G.H. Gilmer, P. Bennema, J. Appl. Phys. 43 (1972) 11347.
  • 22
    • 48049123557 scopus 로고    scopus 로고
    • Kink formation energies were obtained as the difference between the number of bonds destroyed when removing a molecule from the edge of a step and the number of bonds created when placing the same molecule at a kink site divided by 2 (the number of kink sites created in the process).
    • Kink formation energies were obtained as the difference between the number of bonds destroyed when removing a molecule from the edge of a step and the number of bonds created when placing the same molecule at a kink site divided by 2 (the number of kink sites created in the process).
  • 23
    • 48049097348 scopus 로고    scopus 로고
    • e = - 44.85 kcal / mol (a PETN molecule with 1 first, 5 second, and 2 third nearest neighbors) for [over(1, -) 1 2]-steps, and - 47.90 kcal / mol (a PETN molecule with 2 first, 4 second, and 2 third nearest neighbors) for [over(1, -) 1 0]-steps.
    • e = - 44.85 kcal / mol (a PETN molecule with 1 first, 5 second, and 2 third nearest neighbors) for [over(1, -) 1 2]-steps, and - 47.90 kcal / mol (a PETN molecule with 2 first, 4 second, and 2 third nearest neighbors) for [over(1, -) 1 0]-steps.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.