Stability of doubly occupied N2 clathrate hydrates investigated by molecular dynamics simulations

Autor: Jan A. Schouten, John S. Tse, E. P. van Klaveren, D. D. Klug, J. P. J. Michels

Publikováno v: Journal of Chemical Physics, 114(13), 5745-5754. American Institute of Physics

Classical molecular dynamics calculations were performed for a structure II clathrate hydrate with N2 guest molecules in order to investigate the possibility of double occupancy, i.e., two N2 molecules inside one large cage. For all of the pressures,

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ce2ab1d1d00f7ef3b59f3dbc9f44f647
https://doi.org/10.1063/1.1352078

Monte Carlo simulations of the distribution of Ar and other noble-gas atoms in high-pressure solidN2

Autor: Jan A. Schouten, E. P. van Klaveren, J. P. J. Michels

Publikováno v: Physical Review B. 61:9327-9335

The distribution of argon and other noble-gas atoms over the two types of lattice sites in the nitrogen crystal at high pressure, and its consequences for the phase behavior, has been investigated with Monte Carlo simulations as a function of p, T, a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::57eebbafda31886f0dffcc2c26c1bb98
https://doi.org/10.1103/physrevb.61.9327

THE ORIENTATIONAL AND STRUCTURAL PROPERTIES OF N2 and N2–AR SOLIDS AT HIGH PRESSURE

Autor: J.P.J. Michels, E. P. van Klaveren, Jan A. Schouten

Publikováno v: International Journal of Modern Physics C, 10, 445-453. World Scientific Publishing Co. Pte. Ltd.
International Journal of Modern Physics C. World Scientific Publishing Co. Pte. Ltd.

The high pressure phases of N 2 and N 2–Ar mixed solids at 7 GPa have been investigated using Monte Carlo simulations. Orientational order parameters and displacements of the molecules with respect to the positions of the space group were calculate

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2983a8ddd2ebb7ae2ca077c4ce8492e8
https://doi.org/10.1142/s0129183199000334

Measurement of Tensor Analyzing Powers for Elastic Electron Scattering from a Polarized2H Target Internal to a Storage Ring

Autor: M. Buchholz, R. Ent, Tancredi Botto, S. Choi, O. Unal, D. M. Nikolenko, M. Ripani, H. de Vries, M.C. Bouwhuis, J. Lang, J. F. J. van den Brand, C. W. de Jager, D. W. Higinbotham, E. Passchier, H. R. Poolman, Z. L. Zhou, N. Papadakis, C. Gaulard, G. J. L. Nooren, Igor Passchier, J. J. M. Steijger, H. J. Bulten, R. Van Bommel, N. Vodanis, E. Konstantinov, S. Dolfini, M. Taiuti, Ricardo Alarcon, M. Ferro-Luzzi, M. Anghinolfi, D. J. J. de Lange, E. P. Van Klaveren, J. R. Comfort, M. A. Miller, I. A. Rachek, E. Six, S. G. Popov

Publikováno v: Physical Review Letters. 77:2630-2633

We report an absolute measurement of the tensor analyzing powers {ital T}{sub 20} and {ital T}{sub 22} in elastic electron-deuteron scattering at a momentum transfer of 1.6 fm{sup {minus}1}. The novel approach of this measurement is the use of a tens

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::2302828439433ae9af6a7ce05e5e7c80
https://doi.org/10.1103/physrevlett.77.2630

The change in phase behaviour and orientational order of solid N2 at high pressure under the influence of Ar: a simulation study

Autor: Jan A. Schouten, E. P. van Klaveren, J.P.J. Michels

Publikováno v: Molecular Physics, 96. Taylor and Francis Ltd.

We have studied the influence of Ar atoms on the high-pressure phase behaviour of N2 by a Monte Carlo study of Ar x (N2)1-x mixed solids. The results were obtained on the N2 rich side (0 ≤ x ≤ 0.25), in the region where the ∊ and δ phases exis

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::692a08ce3f71aed951f67887a7548235
https://dare.uva.nl/personal/pure/en/publications/the-change-in-phase-behaviour-and-orientational-order-of-solid-n2-at-high-pressure-under-the-influence-of-ar-a-simulation-study(7a211b8b-9e20-491c-b90a-9cee7a173fb0).html