Comparison of density-functional approaches and Monte Carlo simulations for free planar films of liquid

Szybisz, L.

doi:10.1007/s100510051085

Cited by 18 publications

(80 citation statements)

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“…8 This approach accounts better than the OP-NLDF for properties of uniform and nonuniform helium systems. 8,9 The adsorbate-substrate interaction has been revised by Chizmeshya, Cole, and Zaremba 10 ͑CCZ͒ who proposed the expression ͑CCZ potential͒…”

Section: ͑13͒mentioning

confidence: 99%

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Wetting of planar substrates of rubidium by liquid films of4He

Szybisz

2000

Phys. Rev. B

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The wetting of planar solid surfaces of Rb by superfluid 4 He films at Tϭ0 K is examined theoretically. The calculations were carried out by ͑i͒ using the most elaborated nonlocal density functional known as the Orsay-Trento proposal and ͑ii͒ assuming that the helium atoms interact with the substrate via the potential recently worked out by Chizmeshya, Cole, and Zaremba. The asymptotic surface tension was evaluated by applying two different procedures. Our results indicate that films of 4 He wet Rb at zero absolute temperature.

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Section: ͑13͒mentioning

confidence: 99%

“…The corresponding expression for V H (z) is provided in a recent paper where several DF approaches are discussed. 9 Section II is devoted to examine the calculated solutions putting a special emphasis in the analysis of the surface tension. The final conclusion is presented in Sec.…”

Section: ͑13͒mentioning

confidence: 99%

Wetting of planar substrates of rubidium by liquid films of4He

Szybisz

2000

Phys. Rev. B

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“…4,[14][15][16][17] , and is known to give a good description of the T = 0 properties of the liquid-vapor interface and also of some properties of liquid 4 He on various substrates 18,19 (for a thorough comparison between these and other functionals used to describe liquid 4 He at T = 0, see Ref. 20 ). A very remarkable example of success of such theoretical framework is the prediction of the non-wetting behavior of liquid 4 He on heavy-alkali metals at zero absolute temperature 4 .…”

Section: Introductionmentioning

confidence: 99%

Wetting transitions of4Heon alkali-metal surfaces from density-functional calculations

2000

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We have studied the wetting properties of 4 He adsorbed on the surface of heavy alkali metals by using a non-local free-energy density-functional which describes accurately the surface properties of liquid 4 He in the temperature range 0 < T < 3 K. Our results for 4 He on the Cs surface give both the temperature dependence of the contact angle and the wetting temperature in good agreement with the experimental findings. For the 4 He/Rb system we find that a wetting transition on the Rb surface occurs at T ∼ 1.4 K, whereas the experiments show either wetting down to T=0 or a wetting transition at T ∼ 0.3 K. We suggest that this disagreement is due either to an inaccuracy of the fluid-substrate potential used in our calculations or the consequence of substrate roughness, which is known to affect the Rb surface, and whose effect would be to lower the wetting temperature. The sensitivity of the wetting transition to the He-surface potential are stressed for the He/Rb surface, which may justify the controversial experimental findings for this system.

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“…A more thorough description of the functionals considered here can be found elsewhere; 10 we instead present a brief mathematical description of each. The functionals considered in this work are all non-local in nature, but can essentially be described as a summation of long-range van der Waals attractions and short-range repulsive interactions.…”

Section: A Density Functionalsmentioning

confidence: 99%

Energetics of pure and doped helium droplets - application to interpreting pick-up experiments

Dutra

Hinde

2017

AIP Advances

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We use helium density functional theory to calculate the energies of spherically symmetric 4He helium droplets both with and without heteroatom dopants. Self-consistent calculations using an imaginary time propagation method are used to compute structural and energetic properties of these droplets ranging in size from 50 to 9500 atoms. Particular attention is given to the solvation energies of the resident dopant atoms, as these values play an important role in experimental superfluid helium calorimetry techniques. We also suggest a method of predicting new droplet size distributions following dopant pickup using the chemical potential values obtained from our calculations.

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Comparison of density-functional approaches and Monte Carlo simulations for free planar films of liquid

Cited by 18 publications

References 0 publications

Wetting of planar substrates of rubidium by liquid films of4He

Wetting of planar substrates of rubidium by liquid films of4He

Wetting transitions of4Heon alkali-metal surfaces from density-functional calculations

Energetics of pure and doped helium droplets - application to interpreting pick-up experiments

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