Zobrazeno 1 - 10
of 182
pro vyhledávání: '"Daivis, Peter"'
Autor:
Maffioli, Luca, Ewen, James P., Smith, Edward R., Varghese, Sleeba, Daivis, Peter J., Dini, Daniele, Todd, B. D.
We present TTCF4LAMMPS, a toolkit for performing non-equilibrium molecular dynamics (NEMD) simulations to study fluid behaviour at low shear rates using the LAMMPS software. By combining direct NEMD simulations and the transient-time correlation func
Externí odkaz:
http://arxiv.org/abs/2312.02990
Autor:
Kunhunni, Amith, Varghese, Sleeba, Kannam, Sridhar Kumar, Sathian, Sarith P., Daivis, Peter J., Todd, B. D.
Publikováno v:
Journal of Chemical Physics; 11/28/2024, Vol. 161 Issue 20, p1-10, 10p
Here we report the linear viscoelastic properties of amorphous poly(tetramethylene oxide) (PTMO), which is one of the key components in synthesizing segmented polyurethane (PU) elastomers. The temperature and molecular weight dependent viscoelastic b
Externí odkaz:
http://arxiv.org/abs/2202.08993
Autor:
Maffioli, Luca, Smith, Edward R., Ewen, James P., Daivis, Peter J., Dini, Daniele, Todd, B. D.
Publikováno v:
J. Chem. Phys. 156, 184111 (2022)
We derive the transient-time correlation function (TTCF) expression for the computation of phase variables of inhomogenous confined atomistic fluids undergoing boundary-driven planar shear (Couette) flow at constant pressure. Using nonequilibrium mol
Externí odkaz:
http://arxiv.org/abs/2202.07947
Autor:
Maffioli, Luca, Ewen, James P., Smith, Edward R., Varghese, Sleeba, Daivis, Peter J., Dini, Daniele, Todd, B.D.
Publikováno v:
In Computer Physics Communications July 2024 300
Publikováno v:
In Computational Materials Science 5 January 2023 216
Akademický článek
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Publikováno v:
Langmuir 31, 13275 (2015)
This paper introduces the fundamental continuum theory governing momentum transport in isotropic nanofluidic flows. The theory is an extension to the classical Navier-Stokes equation, which includes coupling between translational and rotational degre
Externí odkaz:
http://arxiv.org/abs/1506.03661
Autor:
Lemarchand, Claire A., Bailey, Nicholas P., Todd, Billy D., Daivis, Peter J., Hansen, Jesper S.
The rheology and molecular structure of a model bitumen (Cooee bitumen) under shear are investigated in the non-Newtonian regime using non-equilibrium molecular dynamics simulations. The shear viscosity, normal stress differences and pressure of the
Externí odkaz:
http://arxiv.org/abs/1501.00564
A molecular simulation study of shear viscosity and thermal conductivity of liquid carbon disulphide
Publikováno v:
In Journal of Molecular Liquids 2010 154(1):6-13