publication . Article . 2011

A History of constitutive modeling via molecular dynamics: Shock waves in fluids and gases

B.L. Holian;
Open Access English
  • Published: 01 Jan 2011 Journal: EPJ Web of Conferences (issn: 2100-014X, Copyright policy)
  • Publisher: EDP Sciences
Abstract
From its inception in the mid-Fifties, the method of molecular-dynamics (MD) computer simulations has been used to probe the foundations of statistical me- chanics, first for equilibrium equation-of-state averages, and then for transport proper- ties from equilibrium fluctuations. Traditional statistical mechanical theoreticians were shocked to see that this new-fangled computational physics approach was feasible, even with incredibly tiny samples (on the order of a hundred atoms). When direct measurement of transport coefficients by non-equilibrium molecular dynamics (NEMD) was proposed in the early Seventies, even greater resistance was encountered from the tr...
Subjects
free text keywords: Physics, QC1-999, Thermal conduction, Convergence (routing), Constitutive theory, Viscous flow, Shock wave, Molecular dynamics, Statistical physics, Continuum (design consultancy)
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publication . Article . 2011

A History of constitutive modeling via molecular dynamics: Shock waves in fluids and gases

B.L. Holian;