References
- Bird RB, Wiest JM. Constitutive equations for polymeric liquids. Annu Rev Fluid Mech. 1995;27:169–193. doi:10.1146/annurev.fl.27.010195.001125
- Evans DJ, Morriss GP. Statistical mechanics of nonequilibrium liquids. London: Academic; 1990.
- Edwards BJ, Sefiddashti MHN, Khomamic B. Atomistic simulation of shear flow of linear alkane and polyethylene liquids: a 50-year retrospective. J Rheol. 2022;66:415–489. doi:10.1122/8.0000365
- Ciccotti G, Dellago C, Ferrario M, et al. Molecular simulations: past, present, and future. The European Physical Journal B. 2022;95:3. doi:10.1140/epjb/s10051-021-00249-x
- Berker A, Chynoweth S, Klomp UC, et al. Non-equilibrium molecular dynamics (nemd) simulations and the rheological properties of liquid n-hexadecane. J Chem Soc Faraday Trans. 1992;88:1719–1725. doi:10.1039/ft9928801719
- Chynoweth S, Michopoulos Y. An improved potential model for n-hexadecane molecular dynamics simulations under extreme conditions. Mol Phys. 1994;81:133–141. doi:10.1080/00268979400100091
- Cui ST, Gupta SA, Cummings PT, et al. Molecular dynamics simulations of the rheology of normal decane, hexadecane, and tetracosane. J Chem Phys. 1996;105:1214–1220. doi:10.1063/1.471971
- Jabbarzadeh A, Atkinson JD, Tanner RI. Nanorheology of molecularly thin films of n-hexadecane in couette shear flow by molecular dynamics simulation. J Non-Newtonian Fluid Mech. 1998;77:53–78. doi:10.1016/S0377-0257(97)00094-3
- Stevens MJ, Mondello M, Grest GS, et al. Comparison of shear flow of hexadecane in a confined geometry and in bulk. J Chem Phys. 1997;106:7303–7314. doi:10.1063/1.473692
- Khare R, de Pablo JJ, Yethiraj A. Molecular simulation and continuum mechanics investigation of viscoelastic properties of fluids confined to molecularly thin films. J Chem Phys. 2001;114:7593–7601. doi:10.1063/1.1361077
- Cifre JGH, Hess S, Kröger M. Linear viscoelastic behavior of unentangled polymer melts via non-equilibrium molecular dynamics. Macromol Theory Simul. 2004;13:748–753. doi:10.1002/mats.200400021
- Yoshimoto K, Jain TS, Nealey PF, et al. Local dynamic mechanical properties in model free-standing polymer thin films. J Chem Phys. 2005;122:144712. doi:10.1063/1.1873732
- Guo Q, Jhon MS. The viscoelastic behavior of perfluoropolyether lubricants. IEEE Trans Magn. 2006;42:2540–2542. doi:10.1109/TMAG.2006.878649
- Lin Y-H. Polymer viscoelasticity. London: World Scientific; 2003.
- Xi L. Molecular simulation for predicting the rheological properties of polymer melts. Mol Simul. 2019;45:1242–1264. doi:10.1080/08927022.2019.1605600
- Adeyemi O, Zhu S, Xi L. Equilibrium and non-equilibrium molecular dynamics approaches for the linear viscoelasticity of polymer melts. Phys Fluids. 2022;34:053107. doi:10.1063/5.0090540
- Bird RB, Armstrong RC, Hassager O. Fluid mechanics. 2nd ed. New York: Wiley-Interscience; 1987.
- Morrison FA. Understanding rheology. New York: Oxford University Press; 2001.
- Tseng H-C, Wu J-S, Chang R-Y. Linear viscoelasticity and thermorheological simplicity of n-hexadecane fluids under oscillatory shear via non-equilibrium molecular dynamics simulations. Phys Chem Chem Phys. 2010;12:4051–4065. doi:10.1039/b919672b
- Tseng H-C, Wu J-S, Chang R-Y. Shear thinning and shear dilatancy of liquid n-hexadecane via equilibrium and nonequilibrium molecular dynamics simulations: temperature, pressure, and density effects. J Chem Phys. 2008;129:014502. doi:10.1063/1.2943314
- Tseng H-C, Wu J-S, Chang R-Y. Material functions of liquid n-hexadecane under steady shear via non-equilibrium molecular dynamics simulations: temperature, pressure, and density effects. J Chem Phys. 2009;130:084904. doi:10.1063/1.3080768
- Baig C, Jiang B, Edwards BJ, et al. A comparison of simple rheological models and simulation data of nhexadecane under shear and elongational flows. J Rheol. 2006;50:625. doi:10.1122/1.2240308
- Tseng H-C, Wu J-S, Chang R-Y. Master curves and radial distribution functions for shear dilatancy of liquid n-hexadecane via nonequilibrium molecular dynamics simulations. J Chem Phys. 2009;130:164515. doi:10.1063/1.3123171
- Tseng H-C, Chang R-Y, Wu J-S. Molecular structural property and potential energy dependence on nonequilibrium-thermodynamic state point of liquidn-hexadecane under shear. J Chem Phys. 2011;134:044511. doi:10.1063/1.3541825
- Chynoweth S, Coy RC, Michopoulos Y. Simulated non-newtonian lubricant behaviour under extreme conditions. Proc Inst Mech Eng Part J: J Eng Tribol. 1995;209:243–254. doi:10.1243/PIME_PROC_1995_209_435_02
- Lees AW, Edwards SF. The computer study of transport processes under extreme conditions. J Phys C. 1972;5:1921–1928. doi:10.1088/0022-3719/5/15/006
- Daivis PJ, Evans DJ. Comparison of constant pressure and constant volume nonequilibrium simulations of sheared model decane. J Chem Phys. 1994;100:541–547. doi:10.1063/1.466970
- Macgowan D, Heyes DM. Large timesteps in molecular dynamics simulations. Mol Simul. 1988;1:277–297. doi:10.1080/08927028808080950
- Allen MP, Tildesley DJ. Computer simulation of liquid. Oxford: Clarendon Press; 1989.
- Larson RG. The structure and rheology of complex fluids. New York: Oxford University Press; 1999.
- Press WH, Teukolsky SA, Vetterling WT, et al. Numerical recipes in C: the art of scientific computing. 3rd ed. New York: Cambridge University Press; 2007.
- Tsuchiya Y, Hasegawa H, Iwatsubo T. Prediction of the melting point of n-alkanes using the molecular dynamics method. J Chem Phys. 2001;114:2484–2488. doi:10.1063/1.1338508
- Macosko CW. Rheology: principles, measurements, and applications. New York: VCH Publishers; 1994.
- Ferry JD. Viscoelastic properties of polymers. 3rd ed. New York: Wiley-Interscience; 1980.
- Cross MM. Relation between viscoelasticity and shear-thinning behaviour in liquids. Rheol Acta. 1979;18:609–614. doi:10.1007/BF01520357