Computation of the static structure factor of the path-integral quantum hard-sphere fluid

1997 ◽  
Vol 106 (3) ◽  
pp. 1134-1147 ◽  
Author(s):  
Luis M. Sesé ◽  
Ricardo Ledesma
2002 ◽  
Vol 80 (7) ◽  
pp. 723-731
Author(s):  
H Vahedi Tafreshi ◽  
G Benedek ◽  
P Zamankhan ◽  
P J Sarkomaa

A molecular dynamics technique is devised to simulate the flow of a hard-sphere fluid between two parallel roughened walls separated by a 10 particle diameter distance. The structural state of the system in different solid-volume fractions is characterized by analyzing the static-structure factor contour plot. At solids concentrations below [Formula: see text] [Formula: see text] 0.3, the calculations have shown no remarkable signature of the presence of the roughened confining walls similar to the previous unbounded simulation results (wide channel). At high concentrations, walls manifest their presence by reducing the particle diffusion in the direction of velocity gradient. Due to the metastability of the assembly, further increase in the solid fraction, [Formula: see text] [Formula: see text] 0.6, may yield a crystalline phase wherein diffusion coefficients vanish locally. PACS Nos.: 51.20+d, 61.20-p, 66.10Cb


2020 ◽  
Vol 152 (20) ◽  
pp. 204501 ◽  
Author(s):  
Luis F. Elizondo-Aguilera ◽  
Ernesto C. Cortés-Morales ◽  
Pablo F. Zubieta-Rico ◽  
Magdaleno Medina-Noyola ◽  
Ramón Castañeda-Priego ◽  
...  

1996 ◽  
Vol 10 (30) ◽  
pp. 1507-1515 ◽  
Author(s):  
JOSÉ-PEDRO RINO ◽  
NELSON STUDART

We have applied the Singwi, Tosi, Land and Sjölander approximation for the two-particle distribution function in the BBGKY hierarchy equations to investigate the properties of the hard-sphere Yukawa systems. The static structure factor and the radial distribution function are evaluated and compared with other approximations of the theory of liquids and computer simulations.


2022 ◽  
Vol 12 (1) ◽  
Author(s):  
Tobias Dornheim ◽  
Zhandos A. Moldabekov ◽  
Jan Vorberger ◽  
Burkhard Militzer

AbstractDue to its nature as a strongly correlated quantum liquid, ultracold helium is characterized by the nontrivial interplay of different physical effects. Bosonic $$^4{\text {He}}$$ 4 He exhibits superfluidity and Bose-Einstein condensation. Its physical properties have been accurately determined on the basis of ab initio path integral Monte Carlo (PIMC) simulations. In contrast, the corresponding theoretical description of fermionic $$^3{\text {He}}$$ 3 He is severely hampered by the notorious fermion sign problem, and previous PIMC results have been derived by introducing the uncontrolled fixed-node approximation. In this work, we present extensive new PIMC simulations of normal liquid $$^3{\text {He}}$$ 3 He without any nodal constraints. This allows us to to unambiguously quantify the impact of Fermi statistics and to study the effects of temperature on different physical properties like the static structure factor $$S({\mathbf {q}})$$ S ( q ) , the momentum distribution $$n({\mathbf {q}})$$ n ( q ) , and the static density response function $$\chi ({\mathbf {q}})$$ χ ( q ) . In addition, the dynamic structure factor $$S({\mathbf {q}},\omega )$$ S ( q , ω ) is rigorously reconstructed from imaginary-time PIMC data. From simulations of $$^3{\text {He}}$$ 3 He , we derived the familiar phonon–maxon–roton dispersion function that is well-known for $$^4{\text {He}}$$ 4 He and has been reported previously for two-dimensional $$^3{\text {He}}$$ 3 He films (Nature 483:576–579 (2012)). The comparison of our new results for both $$S({\mathbf {q}})$$ S ( q ) and $$S({\mathbf {q}},\omega )$$ S ( q , ω ) with neutron scattering measurements reveals an excellent agreement between theory and experiment.


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