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1.
Phys Rev Lett ; 87(20): 206103, 2001 Nov 12.
Article in English | MEDLINE | ID: mdl-11690490

ABSTRACT

Using density functional and Monte Carlo methods, we have studied the properties of Ne adsorbed on a Cs surface, focusing on the region at and near saturated vapor pressure (SVP). In the case of Ne/Rb, the experimental data of Hess, Sabatini, and Chan are consistent with the calculations based on an ab initio fluid-substrate potential, while in the Ne/Cs case there is indication that the potential is approximately 9% too deep. In that case, the calculations yield partial drying behavior consistent with the experimental finding of depressed fluid density near the surface, above SVP. However, we find no evidence of a drying transition, a result consistent with the mean-field calculation of Ebner and Saam.

2.
Phys Rev Lett ; 86(22): 5062-5, 2001 May 28.
Article in English | MEDLINE | ID: mdl-11384421

ABSTRACT

A study is presented of the effects of gas (especially H2) absorption within the interstitial channels of a bundle of carbon nanotubes. The ground state of the system is determined by minimizing the total energy, which includes the molecules' interaction with the tubes, the intertube interaction, and the molecules' mutual interaction (which is screened by the tubes). The consequences of swelling include a reduced threshold pressure for gas uptake and a 2.7% increase in the tubes' breathing mode frequency.

4.
Phys Rev B Condens Matter ; 52(22): 16125-16129, 1995 Dec 01.
Article in English | MEDLINE | ID: mdl-9980995
5.
Phys Rev Lett ; 74(10): 1783-1786, 1995 Mar 06.
Article in English | MEDLINE | ID: mdl-10057756
6.
Phys Rev B Condens Matter ; 50(17): 12820-12830, 1994 Nov 01.
Article in English | MEDLINE | ID: mdl-9975450
7.
Phys Rev B Condens Matter ; 50(10): 7173-7176, 1994 Sep 01.
Article in English | MEDLINE | ID: mdl-9974681
8.
Phys Rev B Condens Matter ; 50(11): 7915-7924, 1994 Sep 15.
Article in English | MEDLINE | ID: mdl-9974781
11.
Phys Rev B Condens Matter ; 47(20): 13713-13721, 1993 May 15.
Article in English | MEDLINE | ID: mdl-10005688
12.
Phys Rev Lett ; 70(12): 1854-1857, 1993 Mar 22.
Article in English | MEDLINE | ID: mdl-10053403
13.
Phys Rev Lett ; 69(18): 2682-2684, 1992 Nov 02.
Article in English | MEDLINE | ID: mdl-10046557
14.
Phys Rev Lett ; 69(22): 3193-3195, 1992 Nov 30.
Article in English | MEDLINE | ID: mdl-10046754
15.
Phys Rev B Condens Matter ; 46(9): 5463-5465, 1992 Sep 01.
Article in English | MEDLINE | ID: mdl-10004329
16.
Phys Rev Lett ; 69(2): 221-224, 1992 Jul 13.
Article in English | MEDLINE | ID: mdl-10046618
18.
Phys Rev A ; 45(6): 4015-4022, 1992 Mar 15.
Article in English | MEDLINE | ID: mdl-9907452
19.
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